0 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.81 C#CCCC(=O)CCCCCF 1458a_100000692101_100000729378 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.81 C#CCCC(=O)CCCCOC 1458a_100000692101_100000755781 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.81 C#CCCC(=O)CCCOCC 1458a_100000692101_100012232248 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.81 C#CCCC(=O)CCOCCC 1458a_100000692101_100011215938 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.81 C#CCCC(=O)CCOCCC 34a_100011064465_100000210303 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.81 C#CCCC(=O)CCOCCC 7a_100011064465_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.81 C#CCCC(=O)CSCCCC 1458a_100000191162_100000753159 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.81 C#CCCCCC(=O)C=CC=C 1458a_100016291481_100010269958 [0,0,0,0,0,0|1,0,3]=4 18 B11R0.81 C#CCCCCC(=O)CCC=C 1458a_100000696528_100000754431 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.81 C#CCCCCC(=O)CCC=C 1458a_100000749702_100010269958 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.81 C#CCCCCC(=O)NCC=C 1626a_100020586998_100000696528 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.81 C#CCCCCC(=O)NCC=C 240690a_100020586998_100000696528 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.81 C#CCCCCC(=O)NCC=C 527a_100020586998_100000696528 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.81 C#CCCCNC(=O)CCC=C 11a_100000718082_100000749702 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.81 C#CCCCNC(=O)CCC=C 1626a_100000718082_100000749702 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.81 C#CCCCNC(=O)CCC=C 240690a_100000718082_100000749702 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.81 C#CCCCNC(=O)CCC=C 527a_100000718082_100000749702 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.81 C#CCCCNC(=O)NCC=C 2708a_100000718082_100020586998 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.81 C#CCCCNC(=O)NCC=C 273464a_100000718082_100020586998 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.81 C#CCCCNC(=O)NCC=C 273464a_100020586998_100000718082 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.81 C#CCCCNC(=O)NCC=C 512a_100000718082_100020586998 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.81 C#CCCCNC(=O)NCC=C 512a_100020586998_100000718082 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.81 C#CCCNCC(=O)OCC=C 34a_100000755551_100000033060 [0,0,0,0,0,0|1,0,2]=3 33 B11R0.81 C#CCCOCC(=O)OCC=C 34a_100011215631_100000033060 [0,0,0,0,0,0|1,0,2]=3 34 B11R0.81 C#CCCSCC(=O)NCC=C 62a_100000183597_100000688953 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.81 C#CCCSCC(=O)NCC=C 62a_100000688953_100000183597 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.81 C#CCCSCC(=O)OCC=C 62a_100000033060_100000688953 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.81 C#CCCSCC(=O)OCC=C 62a_100000688953_100000033060 [0,0,0,0,0,0|1,0,2]=3 38 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [0,0,0,0,0,0|1,0,2]=3 40 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [0,0,0,0,0,0|1,0,2]=3 41 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [0,0,0,0,0,0|1,0,2]=3 42 B11R0.81 C#CCNC(=O)CCCCCO 240690a_100000212058_100102619762 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.81 C#CCNC(=O)CNCCCC 2230a_100000747989_100000210211 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.81 C#CCNC(=O)CNCCCC 34a_100000747989_100000210210 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.81 C#CCNC(=O)COCCCC 11a_100000212058_100000757543 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.81 C#CCNC(=O)COCCCC 1626a_100000212058_100000757543 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.81 C#CCNC(=O)COCCCC 240690a_100000212058_100000757543 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.81 C#CCNC(=O)COCCCC 527a_100000212058_100000757543 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.81 C#CCNC(=O)CSCCCC 11a_100000212058_100000191162 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.81 C#CCNC(=O)CSCCCC 1626a_100000212058_100000191162 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.81 C#CCNC(=O)CSCCCC 240690a_100000212058_100000191162 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.81 C#CCNC(=O)CSCCCC 527a_100000212058_100000191162 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000209983_100000212058 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000212058_100000209983 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000209983_100000212058 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000212058_100000209983 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000209983_100000212058 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000212058_100000209983 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210247_100011215978 [0,0,0,0,0,0|1,0,3]=4 60 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210265_100000184674 [0,0,0,0,0,0|1,0,3]=4 61 B11R0.81 C#CCOC(C)CCCCCC 7a_100000210265_100000038162 [0,0,0,0,0,0|1,0,3]=4 62 B11R0.81 C#CCOCCC(=O)CCC=C 1458a_100000693358_100000754431 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.81 C#CCOCCC(=O)CCC=C 1458a_100000749702_100010402529 [0,0,0,0,0,0|2,0,2]=4 64 B11R0.81 C#CCOCCC(=O)NCC=C 1626a_100020586998_100000693358 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.81 C#CCOCCC(=O)NCC=C 240690a_100020586998_100000693358 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.81 C#CCOCCC(=O)NCC=C 527a_100020586998_100000693358 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.81 C#CCSCCC(=O)NCC=C 62a_100000038162_100011222895 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,0,0,0,0,0|1,0,2]=3 69 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,0,0,0,0,0|2,0,2]=4 72 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.81 C=C(CSCCCC)OCOC 62a_100000042856_100000210210 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.81 C=C(CSCCCC)OCOC 62a_100000210211_100000042856 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.81 C=CC=CC(=O)CC/C=C\CC 1458a_100016291481_100015370543 [0,0,0,0,0,0|1,0,3]=4 76 B11R0.81 C=CC=CC(=O)CCCCC#N 1458a_100016291481_100000211819 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.81 C=CC=CC(=O)CCCCC=C 1458a_100016291481_100011215482 [0,0,0,0,0,0|1,0,3]=4 78 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,0,0,0,0,0|1,0,1]=2 79 B11R0.81 C=CC=CC(=O)CCCCCF 1458a_100016291481_100000729378 [0,0,0,0,0,0|2,0,1]=3 80 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.81 C=CC=CC(=O)CCCCOC 1458a_100016291481_100000755781 [0,0,0,0,0,0|2,0,1]=3 82 B11R0.81 C=CC=CC(=O)CCCOCC 1458a_100016291481_100012232248 [0,0,0,0,0,0|2,0,1]=3 83 B11R0.81 C=CC=CC(=O)CCOCCC 1458a_100016291481_100011215938 [0,0,0,0,0,0|2,0,1]=3 84 B11R0.81 C=CC=CC(=O)CCOCCO 1458a_100016291481_100011215305 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.81 C=CC=CC(=O)COCCCC 1458a_100016291481_100011995733 [0,0,0,0,0,0|2,0,1]=3 86 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,0,0,0,0,0|2,0,1]=3 87 B11R0.81 C=CC=CC(=O)NCCCOC 1626a_100150723488_100016291481 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.81 C=CC=CC(=O)NCCCSC 1626a_100000749238_100016291481 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.81 C=CC=CC(=O)NCCOCC 1626a_102516460346_100016291481 [0,0,0,0,0,0|3,0,1]=4 90 B11R0.81 C=CC=CC(=O)NCCSCC 1626a_100000106463_100016291481 [0,0,0,0,0,0|3,0,1]=4 91 B11R0.81 C=CC=CC(=O)NNCCCC 22a_100025702795_100016291481 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.81 C=CCCC(=NNCCCC)C 4a_100025702795_100000762624 [0,0,0,0,0,0|4,0,0]=4 93 B11R0.81 C=CCCC(=O)C/C=C/CCC 1458a_200016266809_100000754431 [0,0,0,0,0,0|1,0,2]=3 94 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [0,0,0,0,0,0|1,0,2]=3 95 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [0,0,0,0,0,0|1,0,2]=3 96 B11R0.81 C=CCCC(=O)CCCCC#N 1458a_100000749702_100000211819 [0,0,0,0,0,0|2,0,1]=3 97 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,0,0,0,0,0|1,0,0]=1 98 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,0,0,0,0,0|1,0,0]=1 99 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,0,0,0,0,0|2,0,0]=2 100 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,0,0,0,0,0|2,0,0]=2 101 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,0,0,0,0,0|2,0,0]=2 102 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,0,0,0,0,0|2,0,0]=2 103 B11R0.81 C=CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000754431 [0,0,0,0,0,0|4,0,0]=4 104 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,0,0,0,0,0|2,0,0]=2 105 B11R0.81 C=CCCC(=O)CCOCC#N 1458a_100000749702_200000047693 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.81 C=CCCC(=O)CCOCC=C 1458a_200011217002_100000754431 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,0,0,0,0,0|2,0,0]=2 108 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100000749702_100011215305 [0,0,0,0,0,0|3,0,0]=3 109 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100011229844_100000754431 [0,0,0,0,0,0|3,0,0]=3 110 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,0,0,0,0,0|2,0,0]=2 111 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,0,0,0,0,0|2,0,0]=2 112 B11R0.81 C=CCCC(=O)COCCOC 1458a_100000211095_100000754431 [0,0,0,0,0,0|3,0,0]=3 113 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,0,0,0,0,0|2,0,0]=2 114 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,0,0,0,0,0|2,0,0]=2 115 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,0,0,0,0,0|2,0,0]=2 116 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,0,0,0,0,0|2,0,0]=2 117 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,0,0,0,0,0|2,0,0]=2 118 B11R0.81 C=CCCC(=O)NCCCCO 240690a_100000750430_100000749702 [0,0,0,0,0,0|3,0,0]=3 119 B11R0.81 C=CCCC(=O)NCCCCO 527a_100000750430_100000749702 [0,0,0,0,0,0|3,0,0]=3 120 B11R0.81 C=CCCC(=O)NCCCOC 1626a_100150723488_100000749702 [0,0,0,0,0,0|3,0,0]=3 121 B11R0.81 C=CCCC(=O)NCCCOC 240690a_100150723488_100000749702 [0,0,0,0,0,0|3,0,0]=3 122 B11R0.81 C=CCCC(=O)NCCCOC 527a_100150723488_100000749702 [0,0,0,0,0,0|3,0,0]=3 123 B11R0.81 C=CCCC(=O)NCCCSC 11a_100000749238_100000749702 [0,0,0,0,0,0|3,0,0]=3 124 B11R0.81 C=CCCC(=O)NCCCSC 1626a_100000749238_100000749702 [0,0,0,0,0,0|3,0,0]=3 125 B11R0.81 C=CCCC(=O)NCCCSC 240690a_100000749238_100000749702 [0,0,0,0,0,0|3,0,0]=3 126 B11R0.81 C=CCCC(=O)NCCCSC 527a_100000749238_100000749702 [0,0,0,0,0,0|3,0,0]=3 127 B11R0.81 C=CCCC(=O)NCCOCC 11a_100011200944_100000749702 [0,0,0,0,0,0|3,0,0]=3 128 B11R0.81 C=CCCC(=O)NCCOCC 1626a_102516460346_100000749702 [0,0,0,0,0,0|3,0,0]=3 129 B11R0.81 C=CCCC(=O)NCCOCC 240690a_100011200944_100000749702 [0,0,0,0,0,0|3,0,0]=3 130 B11R0.81 C=CCCC(=O)NCCOCC 527a_100011200944_100000749702 [0,0,0,0,0,0|3,0,0]=3 131 B11R0.81 C=CCCC(=O)NCCSCC 11a_100000106463_100000749702 [0,0,0,0,0,0|3,0,0]=3 132 B11R0.81 C=CCCC(=O)NCCSCC 1626a_100000106463_100000749702 [0,0,0,0,0,0|3,0,0]=3 133 B11R0.81 C=CCCC(=O)NCCSCC 240690a_100000106463_100000749702 [0,0,0,0,0,0|3,0,0]=3 134 B11R0.81 C=CCCC(=O)NCCSCC 527a_100000106463_100000749702 [0,0,0,0,0,0|3,0,0]=3 135 B11R0.81 C=CCCC(=O)NNCCCC 22a_100025702795_100000749702 [0,0,0,0,0,0|3,0,0]=3 136 B11R0.81 C=CCCC(=O)NNCCOC 22a_100000741390_100000749702 [0,0,0,0,0,0|4,0,0]=4 137 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,0,0,0,0,0|3,0,1]=4 138 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,0,0,0,0,0|3,0,1]=4 139 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,0,0,0,0,0|3,0,1]=4 140 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100000749702_100011215482 [0,0,0,0,0,0|1,0,2]=3 141 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100011215552_100000754431 [0,0,0,0,0,0|1,0,2]=3 142 B11R0.81 C=CCCCCC(=O)NCC=C 1626a_100020586998_100011215552 [0,0,0,0,0,0|1,0,2]=3 143 B11R0.81 C=CCCCCC(=O)NCC=C 240690a_100020586998_100011215552 [0,0,0,0,0,0|1,0,2]=3 144 B11R0.81 C=CCCCCC(=O)NCC=C 527a_100020586998_100011215552 [0,0,0,0,0,0|1,0,2]=3 145 B11R0.81 C=CCCCNC(=O)CCC=C 11a_100000700776_100000749702 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.81 C=CCCCNC(=O)CCC=C 1626a_100000700776_100000749702 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.81 C=CCCCNC(=O)CCC=C 240690a_100000700776_100000749702 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.81 C=CCCCNC(=O)CCC=C 527a_100000700776_100000749702 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.81 C=CCCCNC(=O)NCC=C 2708a_100000700776_100020586998 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.81 C=CCCCNC(=O)NCC=C 273464a_100000700776_100020586998 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.81 C=CCCCNC(=O)NCC=C 273464a_100020586998_100000700776 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.81 C=CCCCNC(=O)NCC=C 512a_100000700776_100020586998 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.81 C=CCCCNC(=O)NCC=C 512a_100020586998_100000700776 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,0,0,0,0,0|3,0,0]=3 155 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,0,0,0,0,0|3,0,0]=3 156 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,0,0,0,0,0|3,0,0]=3 157 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,0,0,0,0,0|3,0,0]=3 158 B11R0.81 C=CCCN(C)CCCCCF 2230a_100020639649_100000729378 [0,0,0,0,0,0|4,0,0]=4 159 B11R0.81 C=CCCN(C)CCCCCF 269982a_100020639649_100000729378 [0,0,0,0,0,0|4,0,0]=4 160 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [0,0,0,0,0,0|4,0,0]=4 161 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [0,0,0,0,0,0|4,0,0]=4 162 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [0,0,0,0,0,0|4,0,0]=4 163 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [0,0,0,0,0,0|4,0,0]=4 164 B11R0.81 C=CCCN(C)CCCCOC 2230a_100020639649_100000730899 [0,0,0,0,0,0|4,0,0]=4 165 B11R0.81 C=CCCN(C)CCCCOC 269982a_100020639649_100000730899 [0,0,0,0,0,0|4,0,0]=4 166 B11R0.81 C=CCCN(C)CCCOCC 2230a_100020639649_100012232248 [0,0,0,0,0,0|4,0,0]=4 167 B11R0.81 C=CCCN(C)CCCOCC 269982a_100020639649_100012232248 [0,0,0,0,0,0|4,0,0]=4 168 B11R0.81 C=CCCN(C)CCOCCC 2230a_100020639649_100011215938 [0,0,0,0,0,0|4,0,0]=4 169 B11R0.81 C=CCCN(C)CCOCCC 269982a_100020639649_100011215938 [0,0,0,0,0,0|4,0,0]=4 170 B11R0.81 C=CCCN(C)COCCCC 2230a_100020639649_100011995733 [0,0,0,0,0,0|4,0,0]=4 171 B11R0.81 C=CCCN(C)COCCCC 269982a_100020639649_100011995733 [0,0,0,0,0,0|4,0,0]=4 172 B11R0.81 C=CCCNCC(=O)NCC=C 2230a_100015191253_100000183597 [0,0,0,0,0,0|2,0,2]=4 173 B11R0.81 C=CCCNCC(=O)OCC=C 2230a_100015191253_100000033060 [0,0,0,0,0,0|1,0,2]=3 174 B11R0.81 C=CCCOCC(=O)OCC=C 34a_100011205117_100000033060 [0,0,0,0,0,0|1,0,2]=3 175 B11R0.81 C=CCCSCC(=O)NCC=C 62a_100000183597_100000754431 [0,0,0,0,0,0|2,0,2]=4 176 B11R0.81 C=CCCSCC(=O)NCC=C 62a_100000754431_100000183597 [0,0,0,0,0,0|2,0,2]=4 177 B11R0.81 C=CCCSCC(=O)OCC=C 62a_100000033060_100000754431 [0,0,0,0,0,0|1,0,2]=3 178 B11R0.81 C=CCCSCC(=O)OCC=C 62a_100000754431_100000033060 [0,0,0,0,0,0|1,0,2]=3 179 B11R0.81 C=CCNC(=O)C/C=C/CCC 1626a_100020586998_200016266809 [0,0,0,0,0,0|1,0,2]=3 180 B11R0.81 C=CCNC(=O)C/C=C/CCC 240690a_100020586998_200016266809 [0,0,0,0,0,0|1,0,2]=3 181 B11R0.81 C=CCNC(=O)C/C=C/CCC 527a_100020586998_200016266809 [0,0,0,0,0,0|1,0,2]=3 182 B11R0.81 C=CCNC(=O)C=CCCCC 1626a_100020586998_100016266645 [0,0,0,0,0,0|1,0,2]=3 183 B11R0.81 C=CCNC(=O)C=CCCCC 240690a_100020586998_100016266645 [0,0,0,0,0,0|1,0,2]=3 184 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,0,0,0,0,0|1,0,0]=1 185 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,0,0,0,0,0|1,0,0]=1 186 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,0,0,0,0,0|1,0,0]=1 187 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,0,0,0,0,0|2,0,0]=2 188 B11R0.81 C=CCNC(=O)CCCN=[N+]=[N-] 240690a_100020586998_100010262590 [0,0,0,0,0,0|4,0,0]=4 189 B11R0.81 C=CCNC(=O)CCCN=[N+]=[N-] 527a_100020586998_100010262590 [0,0,0,0,0,0|4,0,0]=4 190 B11R0.81 C=CCNC(=O)CCNCCO 2230a_100016997473_100011222895 [0,0,0,0,0,0|3,0,0]=3 191 B11R0.81 C=CCNC(=O)CCOCC=C 1626a_100020586998_200011217002 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.81 C=CCNC(=O)CCOCC=C 240690a_100020586998_200011217002 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.81 C=CCNC(=O)CCOCC=C 527a_100020586998_200011217002 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.81 C=CCNC(=O)CCOCCO 1626a_100020586998_100011229844 [0,0,0,0,0,0|3,0,0]=3 195 B11R0.81 C=CCNC(=O)CCOCCO 240690a_100020586998_100011229844 [0,0,0,0,0,0|3,0,0]=3 196 B11R0.81 C=CCNC(=O)CCSCC#N 62a_100011215382_100011222895 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.81 C=CCNC(=O)CCSCC#N 62a_100011222895_100011215382 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.81 C=CCNC(=O)CCSCC=C 62a_100000210623_100011222895 [0,0,0,0,0,0|2,0,2]=4 199 B11R0.81 C=CCNC(=O)CCSCC=C 62a_100011222895_100000210623 [0,0,0,0,0,0|2,0,2]=4 200 B11R0.81 C=CCNC(=O)CCSCC=O 62a_100011222895_200015260668 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.81 C=CCNC(=O)CCSCC=O 62a_200015260668_100011222895 [0,0,0,0,0,0|3,0,1]=4 202 B11R0.81 C=CCNC(=O)CCSCCC 62a_100000210303_100011222895 [0,0,0,0,0,0|2,0,0]=2 203 B11R0.81 C=CCNC(=O)CCSCCC 62a_100011222895_100000210303 [0,0,0,0,0,0|2,0,0]=2 204 B11R0.81 C=CCNC(=O)CCSCCF 62a_100011217306_100011222895 [0,0,0,0,0,0|3,0,0]=3 205 B11R0.81 C=CCNC(=O)CCSCCF 62a_100011222895_100011217306 [0,0,0,0,0,0|3,0,0]=3 206 B11R0.81 C=CCNC(=O)CCSCCO 62a_100000211926_100011222895 [0,0,0,0,0,0|3,0,0]=3 207 B11R0.81 C=CCNC(=O)CCSCCO 62a_100011222895_100000211926 [0,0,0,0,0,0|3,0,0]=3 208 B11R0.81 C=CCNC(=O)CCSCOC 62a_100000766300_100011222895 [0,0,0,0,0,0|3,0,0]=3 209 B11R0.81 C=CCNC(=O)CCSCOC 62a_100011222895_100000766300 [0,0,0,0,0,0|3,0,0]=3 210 B11R0.81 C=CCNC(=O)CCSCSC 62a_100011218213_100011222895 [0,0,0,0,0,0|3,0,0]=3 211 B11R0.81 C=CCNC(=O)CCSCSC 62a_100011222895_100011218213 [0,0,0,0,0,0|3,0,0]=3 212 B11R0.81 C=CCNC(=O)CNCC#CC 2230a_100000685387_100000183597 [0,0,0,0,0,0|2,0,2]=4 213 B11R0.81 C=CCNC(=O)CNCCCC 2230a_100000102301_100000183597 [0,0,0,0,0,0|2,0,0]=2 214 B11R0.81 C=CCNC(=O)CNCCCC 7a_106832991798_100000183597 [0,0,0,0,0,0|2,0,0]=2 215 B11R0.81 C=CCNC(=O)CNCCCF 2230a_100015189416_100000183597 [0,0,0,0,0,0|3,0,0]=3 216 B11R0.81 C=CCNC(=O)CNCCOC 2230a_100000209980_100000183597 [0,0,0,0,0,0|3,0,0]=3 217 B11R0.81 C=CCNC(=O)CNCCSC 2230a_100020590264_100000183597 [0,0,0,0,0,0|3,0,0]=3 218 B11R0.81 C=CCNC(=O)COCCCC 1626a_100020586998_100000757543 [0,0,0,0,0,0|2,0,0]=2 219 B11R0.81 C=CCNC(=O)COCCCC 240690a_100020586998_100000757543 [0,0,0,0,0,0|2,0,0]=2 220 B11R0.81 C=CCNC(=O)COCCCC 527a_100020586998_100000757543 [0,0,0,0,0,0|2,0,0]=2 221 B11R0.81 C=CCNC(=O)COCCCC 7a_100000210227_100000183597 [0,0,0,0,0,0|2,0,0]=2 222 B11R0.81 C=CCNC(=O)COCCOC 1626a_100020586998_100000211095 [0,0,0,0,0,0|3,0,0]=3 223 B11R0.81 C=CCNC(=O)COCCOC 240690a_100020586998_100000211095 [0,0,0,0,0,0|3,0,0]=3 224 B11R0.81 C=CCNC(=O)COCCOC 527a_100020586998_100000211095 [0,0,0,0,0,0|3,0,0]=3 225 B11R0.81 C=CCNC(=O)COCCSC 7a_100000230434_100000183597 [0,0,0,0,0,0|3,0,0]=3 226 B11R0.81 C=CCNC(=O)CSC/C=C/C 62a_100000183597_100102629194 [0,0,0,0,0,0|2,0,2]=4 227 B11R0.81 C=CCNC(=O)CSC/C=C/C 62a_100102629194_100000183597 [0,0,0,0,0,0|2,0,2]=4 228 B11R0.81 C=CCNC(=O)CSCC#CC 62a_100000183597_100000748600 [0,0,0,0,0,0|2,0,2]=4 229 B11R0.81 C=CCNC(=O)CSCC#CC 62a_100000748600_100000183597 [0,0,0,0,0,0|2,0,2]=4 230 B11R0.81 C=CCNC(=O)CSCC=CC 62a_100000070051_100000183597 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.81 C=CCNC(=O)CSCC=CC 62a_100000183597_100000070051 [0,0,0,0,0,0|2,0,2]=4 232 B11R0.81 C=CCNC(=O)CSCCC#N 62a_100000183597_100011215226 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.81 C=CCNC(=O)CSCCC#N 62a_100011215226_100000183597 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.81 C=CCNC(=O)CSCCCC 1626a_100020586998_100000191162 [0,0,0,0,0,0|2,0,0]=2 235 B11R0.81 C=CCNC(=O)CSCCCC 240690a_100020586998_100000191162 [0,0,0,0,0,0|2,0,0]=2 236 B11R0.81 C=CCNC(=O)CSCCCC 527a_100020586998_100000191162 [0,0,0,0,0,0|2,0,0]=2 237 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000183597_100000210210 [0,0,0,0,0,0|2,0,0]=2 238 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000210211_100000183597 [0,0,0,0,0,0|2,0,0]=2 239 B11R0.81 C=CCNC(=O)CSCCCF 62a_100000183597_100011934791 [0,0,0,0,0,0|3,0,0]=3 240 B11R0.81 C=CCNC(=O)CSCCCF 62a_100011934791_100000183597 [0,0,0,0,0,0|3,0,0]=3 241 B11R0.81 C=CCNC(=O)CSCCCO 62a_100000183597_100011215043 [0,0,0,0,0,0|3,0,0]=3 242 B11R0.81 C=CCNC(=O)CSCCCO 62a_100011215043_100000183597 [0,0,0,0,0,0|3,0,0]=3 243 B11R0.81 C=CCNC(=O)CSCCOC 62a_100000183597_100000233755 [0,0,0,0,0,0|3,0,0]=3 244 B11R0.81 C=CCNC(=O)CSCCOC 62a_100000233755_100000183597 [0,0,0,0,0,0|3,0,0]=3 245 B11R0.81 C=CCNC(=O)CSCCSC 62a_100000183597_100000751147 [0,0,0,0,0,0|3,0,0]=3 246 B11R0.81 C=CCNC(=O)CSCCSC 62a_100000212216_100000183597 [0,0,0,0,0,0|3,0,0]=3 247 B11R0.81 C=CCNC(=O)CSCOCC 62a_100000183597_100000739092 [0,0,0,0,0,0|3,0,0]=3 248 B11R0.81 C=CCNC(=O)CSCOCC 62a_100000739092_100000183597 [0,0,0,0,0,0|3,0,0]=3 249 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,0,0,0,0,0|2,0,0]=2 250 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,0,0,0,0,0|2,0,0]=2 251 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,0,0,0,0,0|2,0,0]=2 252 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,0,0,0,0,0|2,0,0]=2 253 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,0,0,0,0,0|2,0,0]=2 254 B11R0.81 C=CCNC(=O)NCCCCO 2708a_100000750430_100020586998 [0,0,0,0,0,0|3,0,0]=3 255 B11R0.81 C=CCNC(=O)NCCCCO 273464a_100000750430_100020586998 [0,0,0,0,0,0|3,0,0]=3 256 B11R0.81 C=CCNC(=O)NCCCCO 273464a_100020586998_100000750430 [0,0,0,0,0,0|3,0,0]=3 257 B11R0.81 C=CCNC(=O)NCCCCO 512a_100000750430_100020586998 [0,0,0,0,0,0|3,0,0]=3 258 B11R0.81 C=CCNC(=O)NCCCCO 512a_100020586998_100000750430 [0,0,0,0,0,0|3,0,0]=3 259 B11R0.81 C=CCNC(=O)NCCCOC 2708a_100150723488_100020586998 [0,0,0,0,0,0|3,0,0]=3 260 B11R0.81 C=CCNC(=O)NCCCOC 273464a_100020586998_100150723488 [0,0,0,0,0,0|3,0,0]=3 261 B11R0.81 C=CCNC(=O)NCCCOC 273464a_100150723488_100020586998 [0,0,0,0,0,0|3,0,0]=3 262 B11R0.81 C=CCNC(=O)NCCCOC 512a_100020586998_100150723488 [0,0,0,0,0,0|3,0,0]=3 263 B11R0.81 C=CCNC(=O)NCCCSC 2708a_100000749238_100020586998 [0,0,0,0,0,0|3,0,0]=3 264 B11R0.81 C=CCNC(=O)NCCCSC 273464a_100000749238_100020586998 [0,0,0,0,0,0|3,0,0]=3 265 B11R0.81 C=CCNC(=O)NCCCSC 273464a_100020586998_100000749238 [0,0,0,0,0,0|3,0,0]=3 266 B11R0.81 C=CCNC(=O)NCCCSC 512a_100000749238_100020586998 [0,0,0,0,0,0|3,0,0]=3 267 B11R0.81 C=CCNC(=O)NCCCSC 512a_100020586998_100000749238 [0,0,0,0,0,0|3,0,0]=3 268 B11R0.81 C=CCNC(=O)NCCOCC 2708a_100011200944_100020586998 [0,0,0,0,0,0|3,0,0]=3 269 B11R0.81 C=CCNC(=O)NCCOCC 273464a_100020586998_102516460346 [0,0,0,0,0,0|3,0,0]=3 270 B11R0.81 C=CCNC(=O)NCCOCC 273464a_102516460346_100020586998 [0,0,0,0,0,0|3,0,0]=3 271 B11R0.81 C=CCNC(=O)NCCOCC 512a_100011200944_100020586998 [0,0,0,0,0,0|3,0,0]=3 272 B11R0.81 C=CCNC(=O)NCCOCC 512a_100020586998_100011200944 [0,0,0,0,0,0|3,0,0]=3 273 B11R0.81 C=CCNC(=O)NCCSCC 2708a_100000106463_100020586998 [0,0,0,0,0,0|3,0,0]=3 274 B11R0.81 C=CCNC(=O)NCCSCC 273464a_100000106463_100020586998 [0,0,0,0,0,0|3,0,0]=3 275 B11R0.81 C=CCNC(=O)NCCSCC 273464a_100020586998_100000106463 [0,0,0,0,0,0|3,0,0]=3 276 B11R0.81 C=CCNC(=O)NCCSCC 512a_100000106463_100020586998 [0,0,0,0,0,0|3,0,0]=3 277 B11R0.81 C=CCNC(=O)NCCSCC 512a_100020586998_100000106463 [0,0,0,0,0,0|3,0,0]=3 278 B11R0.81 C=CCNC(=O)NNCCCC 273464a_100020586998_100025702795 [0,0,0,0,0,0|3,0,0]=3 279 B11R0.81 C=CCNC(=O)NNCCCC 512a_100020586998_100025702795 [0,0,0,0,0,0|3,0,0]=3 280 B11R0.81 C=CCNC(=O)NNCCCC 512a_100025702795_100020586998 [0,0,0,0,0,0|3,0,0]=3 281 B11R0.81 C=CCNC(=O)NNCCOC 273464a_100020586998_100000741390 [0,0,0,0,0,0|4,0,0]=4 282 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,0,0,0,0,0|2,0,1]=3 283 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,0,0,0,0,0|2,0,1]=3 284 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,0,0,0,0,0|2,0,1]=3 285 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,0,0,0,0,0|2,0,1]=3 286 B11R0.81 C=CCNCCC(=O)NCC=C 2230a_100020586998_100011222895 [0,0,0,0,0,0|2,0,2]=4 287 B11R0.81 C=CCOC(=O)CNCC#CC 2230a_100000685387_100000033060 [0,0,0,0,0,0|1,0,2]=3 288 B11R0.81 C=CCOC(=O)CNCC#CC 34a_100000685387_100000033060 [0,0,0,0,0,0|1,0,2]=3 289 B11R0.81 C=CCOC(=O)CNCCCC 2230a_100000102301_100000033060 [0,0,0,0,0,0|1,0,0]=1 290 B11R0.81 C=CCOC(=O)CNCCCC 7a_106832991798_100000033060 [0,0,0,0,0,0|1,0,0]=1 291 B11R0.81 C=CCOC(=O)CNCCCF 2230a_100015189416_100000033060 [0,0,0,0,0,0|2,0,0]=2 292 B11R0.81 C=CCOC(=O)CNCCCF 34a_100015189416_100000033060 [0,0,0,0,0,0|2,0,0]=2 293 B11R0.81 C=CCOC(=O)CNCCOC 2230a_100000209980_100000033060 [0,0,0,0,0,0|2,0,0]=2 294 B11R0.81 C=CCOC(=O)CNCCSC 2230a_100020590264_100000033060 [0,0,0,0,0,0|2,0,0]=2 295 B11R0.81 C=CCOC(=O)COC/C=C/C 34a_100016270725_100000033060 [0,0,0,0,0,0|1,0,2]=3 296 B11R0.81 C=CCOC(=O)COCC#CC 34a_100000761923_100000033060 [0,0,0,0,0,0|1,0,2]=3 297 B11R0.81 C=CCOC(=O)COCCCBr 34a_100011217188_100000033060 [0,0,0,0,0,0|2,0,0]=2 298 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [0,0,0,0,0,0|1,0,0]=1 299 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [0,0,0,0,0,0|1,0,0]=1 300 B11R0.81 C=CCOC(=O)COCCCCl 34a_100000230001_100000033060 [0,0,0,0,0,0|2,0,0]=2 301 B11R0.81 C=CCOC(=O)COCCCF 34a_100000759539_100000033060 [0,0,0,0,0,0|2,0,0]=2 302 B11R0.81 C=CCOC(=O)COCCCN 34a_100000182051_100000033060 [0,0,0,0,0,0|2,0,0]=2 303 B11R0.81 C=CCOC(=O)COCCOC 34a_100000210237_100000033060 [0,0,0,0,0,0|2,0,0]=2 304 B11R0.81 C=CCOC(=O)COCCON 34a_100000700252_100000033060 [0,0,0,0,0,0|3,0,0]=3 305 B11R0.81 C=CCOC(=O)COCCSC 34a_100000230434_100000033060 [0,0,0,0,0,0|2,0,0]=2 306 B11R0.81 C=CCOC(=O)COCCSC 7a_100000230434_100000033060 [0,0,0,0,0,0|2,0,0]=2 307 B11R0.81 C=CCOC(=O)CSC/C=C/C 62a_100000033060_100102629194 [0,0,0,0,0,0|1,0,2]=3 308 B11R0.81 C=CCOC(=O)CSC/C=C/C 62a_100102629194_100000033060 [0,0,0,0,0,0|1,0,2]=3 309 B11R0.81 C=CCOC(=O)CSCC#CC 62a_100000033060_100000748600 [0,0,0,0,0,0|1,0,2]=3 310 B11R0.81 C=CCOC(=O)CSCC#CC 62a_100000748600_100000033060 [0,0,0,0,0,0|1,0,2]=3 311 B11R0.81 C=CCOC(=O)CSCC=CC 62a_100000033060_100000070051 [0,0,0,0,0,0|1,0,2]=3 312 B11R0.81 C=CCOC(=O)CSCC=CC 62a_100000070051_100000033060 [0,0,0,0,0,0|1,0,2]=3 313 B11R0.81 C=CCOC(=O)CSCCC#N 62a_100000033060_100011215226 [0,0,0,0,0,0|2,0,1]=3 314 B11R0.81 C=CCOC(=O)CSCCC#N 62a_100011215226_100000033060 [0,0,0,0,0,0|2,0,1]=3 315 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000033060_100000210210 [0,0,0,0,0,0|1,0,0]=1 316 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000210211_100000033060 [0,0,0,0,0,0|1,0,0]=1 317 B11R0.81 C=CCOC(=O)CSCCCF 62a_100000033060_100011934791 [0,0,0,0,0,0|2,0,0]=2 318 B11R0.81 C=CCOC(=O)CSCCCF 62a_100011934791_100000033060 [0,0,0,0,0,0|2,0,0]=2 319 B11R0.81 C=CCOC(=O)CSCCCO 62a_100000033060_100011215043 [0,0,0,0,0,0|2,0,0]=2 320 B11R0.81 C=CCOC(=O)CSCCCO 62a_100011215043_100000033060 [0,0,0,0,0,0|2,0,0]=2 321 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000033060_100000233755 [0,0,0,0,0,0|2,0,0]=2 322 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000233755_100000033060 [0,0,0,0,0,0|2,0,0]=2 323 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000033060_100000751147 [0,0,0,0,0,0|2,0,0]=2 324 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000212216_100000033060 [0,0,0,0,0,0|2,0,0]=2 325 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000033060_100000739092 [0,0,0,0,0,0|2,0,0]=2 326 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000739092_100000033060 [0,0,0,0,0,0|2,0,0]=2 327 B11R0.81 C=CCOC(=O)CSCSC#N 62a_100000033060_100000211825 [0,0,0,0,0,0|3,0,1]=4 328 B11R0.81 C=CCOC(=O)CSCSC#N 62a_100000211825_100000033060 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,0,0,0,0,0|1,0,1]=2 330 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,0,0,0,0,0|1,0,1]=2 331 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,0,0,0,0,0|1,0,1]=2 332 B11R0.81 C=CCOC(C)COCCCC 34a_100011217071_100015514636 [0,0,0,0,0,0|2,0,1]=3 333 B11R0.81 C=CCOC(C)COCCCC 7a_100011217071_100015514636 [0,0,0,0,0,0|2,0,1]=3 334 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,0,0,0,0,0|1,1,1]=3 335 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,0,0,0,0,0|1,1,1]=3 336 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,0,0,0,0,0|1,0,3]=4 337 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,0,0,0,0,0|1,0,2]=3 338 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,0,0,0,0,0|1,0,2]=3 339 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,0,0,0,0,0|2,0,2]=4 340 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,0,0,0,0,0|2,0,2]=4 341 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,0,0,0,0,0|2,0,2]=4 342 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,0,0,0,0,0|2,0,2]=4 343 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,0,0,0,0,0|2,0,2]=4 344 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,0,0,0,0,0|2,0,2]=4 345 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,0,0,0,0,0|2,0,2]=4 346 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,0,0,0,0,0|2,0,2]=4 347 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,0,0,0,0,0|2,0,2]=4 348 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,0,0,0,0,0|2,0,2]=4 349 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,0,0,0,0,0|2,0,2]=4 350 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,0,0,0,0,0|2,0,2]=4 351 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,0,0,0,0,0|2,0,2]=4 352 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,0,0,0,0,0|2,0,1]=3 353 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,0,0,0,0,0|1,0,3]=4 354 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,0,0,0,0,0|1,0,3]=4 355 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,0,0,0,0,0|2,0,2]=4 356 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,0,0,0,0,0|2,0,2]=4 357 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,0,0,0,0,0|2,0,2]=4 358 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,0,0,0,0,0|2,0,2]=4 359 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,0,0,0,0,0|2,0,2]=4 360 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,0,0,0,0,0|2,0,2]=4 361 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,0,0,0,0,0|2,0,2]=4 362 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,0,0,0,0,0|2,0,2]=4 363 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,0,0,0,0,0|2,0,1]=3 364 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,0,0,0,0,0|2,0,1]=3 365 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,0,0,0,0,0|1,0,2]=3 366 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,0,0,0,0,0|1,0,2]=3 367 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,0,0,0,0,0|2,0,1]=3 368 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,0,0,0,0,0|2,0,1]=3 369 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,0,0,0,0,0|2,0,1]=3 370 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,0,0,0,0,0|2,0,1]=3 371 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,0,0,0,0,0|2,0,1]=3 372 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,0,0,0,0,0|2,0,1]=3 373 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,0,0,0,0,0|2,0,2]=4 374 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,0,0,0,0,0|2,0,2]=4 375 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [0,0,0,0,0,0|2,0,1]=3 376 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [0,0,0,0,0,0|2,0,1]=3 377 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,0,0,0,0,0|1,0,2]=3 378 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,0,0,0,0,0|1,0,2]=3 379 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,0,0,0,0,0|1,0,2]=3 380 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,0,0,0,0,0|1,0,2]=3 381 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,0,0,0,0,0|2,0,1]=3 382 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,0,0,0,0,0|2,0,1]=3 383 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,0,0,0,0,0|2,0,1]=3 384 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,0,0,0,0,0|2,0,1]=3 385 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,0,0,0,0,0|2,0,1]=3 386 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,0,0,0,0,0|2,0,1]=3 387 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,0,0,0,0,0|2,0,2]=4 388 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,0,0,0,0,0|3,0,1]=4 389 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,0,0,0,0,0|3,0,1]=4 390 B11R0.81 CCCCCCC(C)OCC#N 7a_100000210265_100011215382 [0,0,0,0,0,0|2,0,2]=4 391 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,0,0,0,0,0|2,0,1]=3 392 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,0,0,0,0,0|2,0,1]=3 393 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,0,0,0,0,0|2,0,2]=4 394 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,0,0,0,0,0|1,0,3]=4 395 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,0,0,0,0,0|1,0,3]=4 396 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,0,0,0,0,0|1,0,3]=4 397 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,0,0,0,0,0|2,0,2]=4 398 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,0,0,0,0,0|2,0,2]=4 399 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,0,0,0,0,0|2,0,2]=4 400 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,0,0,0,0,0|2,0,2]=4 401 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,0,0,0,0,0|2,0,2]=4 402 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,0,0,0,0,0|2,0,2]=4 403 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,0,0,0,0,0|2,1,1]=4 404 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,0,0,0,0,0|2,1,1]=4 405 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,0,0,0,0,0|3,0,1]=4 406 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,0,0,0,0,0|3,0,1]=4 407 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,0,0,0,0,0|3,0,1]=4 408 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,0,0,0,0,0|3,0,1]=4 409 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,0,0,0,0,0|2,0,2]=4 410 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,0,0,0,0,0|2,0,2]=4 411 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,0,0,0,0,0|2,0,2]=4 412 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,0,0,0,0,0|2,0,2]=4 413 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,0,0,0,0,0|3,0,1]=4 414 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,0,0,0,0,0|3,0,1]=4 415 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,0,0,0,0,0|3,0,1]=4 416 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,0,0,0,0,0|3,0,1]=4 417 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,0,0,0,0,0|3,0,1]=4 418 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,0,0,0,0,0|3,0,1]=4 420 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,0,0,0,0,0|3,0,1]=4 421 B11R0.81 CCCCCNC(=O)NCC#N 2708a_100000734998_100000209983 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000209983_100000734998 [0,0,0,0,0,0|3,0,1]=4 423 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000734998_100000209983 [0,0,0,0,0,0|3,0,1]=4 424 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000209983_100000734998 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000734998_100000209983 [0,0,0,0,0,0|3,0,1]=4 426 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,0,0,0,0,0|2,0,2]=4 427 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,0,0,0,0,0|2,0,2]=4 428 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,0,0,0,0,0|2,0,2]=4 429 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,0,0,0,0,0|2,0,2]=4 430 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,0,0,0,0,0|2,0,2]=4 431 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,0,0,0,0,0|2,0,2]=4 432 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,0,0,0,0,0|3,0,1]=4 433 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,0,0,0,0,0|3,0,1]=4 434 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,0,0,0,0,0|3,0,1]=4 435 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,0,0,0,0,0|3,0,1]=4 436 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,0,0,0,0,0|3,0,1]=4 437 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,0,0,0,0,0|3,0,1]=4 438 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,0,0,0,0,0|3,0,1]=4 439 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.81 CCCCNCC(=O)NCC#N 2230a_100000102301_100000736037 [0,0,0,0,0,0|3,0,1]=4 441 B11R0.81 CCCCNCC(=O)NCC#N 7a_106832991798_100000736037 [0,0,0,0,0,0|3,0,1]=4 442 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,0,0,0,0,0|2,0,2]=4 443 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,0,0,0,0,0|2,0,2]=4 444 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,0,0,0,0,0|2,0,2]=4 445 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,0,0,0,0,0|1,0,2]=3 447 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,0,0,0,0,0|1,0,2]=3 448 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,0,0,0,0,0|3,0,1]=4 449 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,0,0,0,0,0|2,0,2]=4 451 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,0,0,0,0,0|2,0,2]=4 452 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,0,0,0,0,0|3,0,1]=4 453 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,0,0,0,0,0|3,0,1]=4 454 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,0,0,0,0,0|3,0,1]=4 455 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,0,0,0,0,0|3,0,1]=4 456 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.81 CCCCOCC(=O)NCC#N 1626a_100000734998_100000757543 [0,0,0,0,0,0|3,0,1]=4 459 B11R0.81 CCCCOCC(=O)NCC#N 527a_100000734998_100000757543 [0,0,0,0,0,0|3,0,1]=4 460 B11R0.81 CCCCOCC(=O)NCC#N 7a_100000210227_100000736037 [0,0,0,0,0,0|3,0,1]=4 461 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,0,0,0,0,0|2,0,2]=4 462 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,0,0,0,0,0|2,0,2]=4 463 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,0,0,0,0,0|2,0,2]=4 464 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,0,0,0,0,0|2,0,2]=4 465 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,0,0,0,0,0|2,0,2]=4 466 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,0,0,0,0,0|2,0,2]=4 467 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,0,0,0,0,0|3,0,1]=4 468 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,0,0,0,0,0|3,0,1]=4 469 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,0,0,0,0,0|3,0,1]=4 470 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,0,0,0,0,0|3,0,1]=4 471 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,0,0,0,0,0|3,0,1]=4 472 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,0,0,0,0,0|3,0,1]=4 473 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,0,0,0,0,0|1,0,2]=3 474 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,0,0,0,0,0|1,0,2]=3 475 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,0,0,0,0,0|3,0,1]=4 476 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.81 CCCCSCC(=O)CCC#N 1458a_100000191162_100011215226 [0,0,0,0,0,0|3,0,1]=4 478 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,0,0,0,0,0|2,0,2]=4 479 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,0,0,0,0,0|3,0,1]=4 480 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,0,0,0,0,0|3,0,1]=4 481 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,0,0,0,0,0|3,0,1]=4 482 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,0,0,0,0,0|3,0,1]=4 483 B11R0.81 CCCCSCC(=O)NCC#N 1626a_100000734998_100000191162 [0,0,0,0,0,0|3,0,1]=4 484 B11R0.81 CCCCSCC(=O)NCC#N 527a_100000734998_100000191162 [0,0,0,0,0,0|3,0,1]=4 485 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000210211_100000736037 [0,0,0,0,0,0|3,0,1]=4 486 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000736037_100000210210 [0,0,0,0,0,0|3,0,1]=4 487 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,0,0,0,0,0|2,0,2]=4 488 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,0,0,0,0,0|2,0,2]=4 489 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,0,0,0,0,0|2,0,2]=4 490 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,0,0,0,0,0|2,0,2]=4 491 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,0,0,0,0,0|2,0,2]=4 492 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,0,0,0,0,0|2,0,2]=4 493 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,0,0,0,0,0|3,0,1]=4 494 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,0,0,0,0,0|3,0,1]=4 495 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,0,0,0,0,0|3,0,1]=4 496 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,0,0,0,0,0|3,0,1]=4 497 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,0,0,0,0,0|3,0,1]=4 498 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,0,0,0,0,0|3,0,1]=4 499 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,0,0,0,0,0|1,0,2]=3 500 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,0,0,0,0,0|1,0,2]=3 501 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,0,0,0,0,0|2,0,2]=4 502 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,0,0,0,0,0|2,0,2]=4 503 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,0,0,0,0,0|2,0,2]=4 504 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,0,0,0,0,0|2,0,2]=4 505 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,0,0,0,0,0|2,0,2]=4 506 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,0,0,0,0,0|2,0,2]=4 507 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,0,0,0,0,0|2,0,2]=4 508 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,0,0,0,0,0|2,0,2]=4 509 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,0,0,0,0,0|2,0,2]=4 510 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,0,0,0,0,0|2,0,2]=4 511 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,0,0,0,0,0|2,0,2]=4 512 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,0,0,0,0,0|2,0,2]=4 513 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,0,0,0,0,0|2,0,2]=4 514 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,0,0,0,0,0|2,0,2]=4 515 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,0,0,0,0,0|2,0,2]=4 516 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,0,0,0,0,0|2,0,2]=4 517 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,0,0,0,0,0|2,0,2]=4 518 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,0,0,0,0,0|2,0,2]=4 519 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,0,0,0,0,0|2,0,2]=4 520 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,0,0,0,0,0|2,0,2]=4 521 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,0,0,0,0,0|2,0,2]=4 522 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,0,0,0,0,0|2,0,2]=4 523 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,0,0,0,0,0|2,0,2]=4 524 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,0,0,0,0,0|2,0,2]=4 525 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,0,0,0,0,0|2,0,2]=4 526 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,0,0,0,0,0|2,0,2]=4 527 B11R0.81 CCCOCCC(=O)CCC#N 1458a_100011934036_100011215938 [0,0,0,0,0,0|3,0,1]=4 528 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,0,0,0,0,0|3,0,1]=4 529 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,0,0,0,0,0|2,0,2]=4 531 B11R0.81 CCOCCCC(=O)CCC#N 1458a_100011934036_100012232248 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,0,0,0,0,0|3,0,1]=4 534 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,0,0,0,0,0|3,0,1]=4 535 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,0,0,0,0,0|3,0,1]=4 536 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,0,0,0,0,0|3,0,1]=4 537 B11R0.81 COCCCCC(=O)CCC#N 1458a_100011934036_100000755781 [0,0,0,0,0,0|3,0,1]=4 538 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,0,0,0,0,0|3,0,1]=4 539 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,0,0,0,0,0|3,0,1]=4 540 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,0,0,0,0,0|3,0,1]=4 541 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,0,0,0,0,0|3,0,1]=4 542 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,0,0,0,0,0|3,0,1]=4 543 B11R0.81 N#CCCC(=O)CCCCCF 1458a_100011934036_100000729378 [0,0,0,0,0,0|3,0,1]=4 544 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,0,0,0,0,0|3,0,1]=4 545 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,0,0,0,0,0|3,0,1]=4 546 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,0,0,0,0,0|3,0,1]=4 547 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,0,0,0,0,0|3,0,1]=4 548 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,0,0,0,0,0|3,0,1]=4 549 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,0,0,0,0,0|3,0,1]=4 550 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [1,0,0,0,0,0|0,0,2]=3 551 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [1,0,0,0,0,0|0,0,2]=3 552 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [1,0,0,0,0,0|1,0,2]=4 553 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [1,0,0,0,0,0|1,0,2]=4 554 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [1,0,0,0,0,0|1,0,2]=4 555 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [1,0,0,0,0,0|1,0,2]=4 556 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [1,0,0,0,0,0|1,0,2]=4 557 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [1,0,0,0,0,0|1,0,2]=4 558 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [1,0,0,0,0,0|1,0,2]=4 559 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [1,0,0,0,0,0|1,0,2]=4 560 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [1,0,0,0,0,0|1,0,2]=4 561 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [1,0,0,0,0,0|1,0,2]=4 562 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [1,0,0,0,0,0|1,0,2]=4 563 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000210193_100010269958 [1,0,0,0,0,0|0,0,2]=3 564 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000696528_100000210623 [1,0,0,0,0,0|0,0,2]=3 565 B10R0.1 C#CCCCNC(=O)CC=C 11a_100000718082_100000210193 [1,0,0,0,0,0|1,0,2]=4 566 B10R0.1 C#CCCCNC(=O)CC=C 1626a_100000718082_100000210193 [1,0,0,0,0,0|1,0,2]=4 567 B10R0.1 C#CCCCNC(=O)CC=C 240690a_100000718082_100000210193 [1,0,0,0,0,0|1,0,2]=4 568 B10R0.1 C#CCCCNC(=O)CC=C 527a_100000718082_100000210193 [1,0,0,0,0,0|1,0,2]=4 569 B10R0.1 C#CCCNCC(=O)OC=C 34a_100000755551_100000036128 [1,0,0,0,0,0|1,0,2]=4 570 B10R0.1 C#CCCOCC(=O)OC=C 34a_100011215631_100000036128 [1,0,0,0,0,0|1,0,2]=4 571 B10R0.1 C#CCCSCC(=O)OC=C 62a_100000036128_100000688953 [1,0,0,0,0,0|1,0,2]=4 572 B10R0.1 C#CCCSCC(=O)OC=C 62a_100000688953_100000036128 [1,0,0,0,0,0|1,0,2]=4 573 B10R0.1 C#CCOCCC(=O)CC=C 1458a_100000210193_100010402529 [1,0,0,0,0,0|1,0,2]=4 574 B10R0.1 C#CCOCCC(=O)CC=C 1458a_100000693358_100000210623 [1,0,0,0,0,0|1,0,2]=4 575 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [1,0,0,0,0,0|0,0,2]=3 576 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [1,0,0,0,0,0|0,0,2]=3 577 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [1,0,0,0,0,0|0,0,2]=3 578 B10R0.1 C=CCC(=O)CCCCC#N 1458a_100000210193_100000211819 [1,0,0,0,0,0|1,0,1]=3 579 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,0,0,0,0,0|0,0,0]=1 580 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,0,0,0,0,0|0,0,0]=1 581 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [1,0,0,0,0,0|1,0,0]=2 582 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [1,0,0,0,0,0|1,0,0]=2 583 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [1,0,0,0,0,0|1,0,0]=2 584 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [1,0,0,0,0,0|1,0,0]=2 585 B10R0.1 C=CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210623 [1,0,0,0,0,0|3,0,0]=4 586 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [1,0,0,0,0,0|1,0,0]=2 587 B10R0.1 C=CCC(=O)CCOCC#N 1458a_100000210193_200000047693 [1,0,0,0,0,0|2,0,1]=4 588 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [1,0,0,0,0,0|1,0,0]=2 589 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [1,0,0,0,0,0|2,0,0]=3 590 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [1,0,0,0,0,0|2,0,0]=3 591 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [1,0,0,0,0,0|1,0,0]=2 592 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [1,0,0,0,0,0|1,0,0]=2 593 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [1,0,0,0,0,0|2,0,0]=3 594 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [1,0,0,0,0,0|1,0,0]=2 595 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [1,0,0,0,0,0|1,0,0]=2 596 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [1,0,0,0,0,0|1,0,0]=2 597 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [1,0,0,0,0,0|1,0,0]=2 598 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [1,0,0,0,0,0|1,0,0]=2 599 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [1,0,0,0,0,0|2,0,0]=3 600 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [1,0,0,0,0,0|2,0,0]=3 601 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [1,0,0,0,0,0|2,0,0]=3 602 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [1,0,0,0,0,0|2,0,0]=3 603 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [1,0,0,0,0,0|2,0,0]=3 604 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [1,0,0,0,0,0|2,0,0]=3 605 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [1,0,0,0,0,0|2,0,0]=3 606 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [1,0,0,0,0,0|2,0,0]=3 607 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [1,0,0,0,0,0|2,0,0]=3 608 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [1,0,0,0,0,0|2,0,0]=3 609 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [1,0,0,0,0,0|2,0,0]=3 610 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [1,0,0,0,0,0|2,0,0]=3 611 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [1,0,0,0,0,0|2,0,0]=3 612 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [1,0,0,0,0,0|2,0,0]=3 613 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [1,0,0,0,0,0|2,0,0]=3 614 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [1,0,0,0,0,0|2,0,0]=3 615 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [1,0,0,0,0,0|2,0,0]=3 616 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [1,0,0,0,0,0|2,0,0]=3 617 B10R0.1 C=CCC(=O)NNCCOC 22a_100000741390_100000210193 [1,0,0,0,0,0|3,0,0]=4 618 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [1,0,0,0,0,0|2,0,1]=4 619 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [1,0,0,0,0,0|2,0,1]=4 620 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [1,0,0,0,0,0|0,0,2]=3 621 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [1,0,0,0,0,0|0,0,2]=3 622 B10R0.1 C=CCCCNC(=O)CC=C 11a_100000700776_100000210193 [1,0,0,0,0,0|1,0,2]=4 623 B10R0.1 C=CCCCNC(=O)CC=C 1626a_100000700776_100000210193 [1,0,0,0,0,0|1,0,2]=4 624 B10R0.1 C=CCCCNC(=O)CC=C 240690a_100000700776_100000210193 [1,0,0,0,0,0|1,0,2]=4 625 B10R0.1 C=CCCCNC(=O)CC=C 527a_100000700776_100000210193 [1,0,0,0,0,0|1,0,2]=4 626 B10R0.1 C=CCCNCC(=O)OC=C 2230a_100015191253_100000036128 [1,0,0,0,0,0|1,0,2]=4 627 B10R0.1 C=CCCOCC(=O)OC=C 34a_100011205117_100000036128 [1,0,0,0,0,0|1,0,2]=4 628 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000036128_100000754431 [1,0,0,0,0,0|1,0,2]=4 629 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000754431_100000036128 [1,0,0,0,0,0|1,0,2]=4 630 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [1,0,0,0,0,0|2,0,0]=3 631 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [1,0,0,0,0,0|2,0,0]=3 632 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [1,0,0,0,0,0|2,0,0]=3 633 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [1,0,0,0,0,0|2,0,0]=3 634 B10R0.1 C=CCN(C)CCCCCF 2230a_100000225617_100000729378 [1,0,0,0,0,0|3,0,0]=4 635 B10R0.1 C=CCN(C)CCCCCF 269982a_100000225617_100000729378 [1,0,0,0,0,0|3,0,0]=4 636 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [1,0,0,0,0,0|3,0,0]=4 637 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [1,0,0,0,0,0|3,0,0]=4 638 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [1,0,0,0,0,0|3,0,0]=4 639 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [1,0,0,0,0,0|3,0,0]=4 640 B10R0.1 C=CCN(C)CCCCOC 2230a_100000225617_100000730899 [1,0,0,0,0,0|3,0,0]=4 641 B10R0.1 C=CCN(C)CCCCOC 269982a_100000225617_100000730899 [1,0,0,0,0,0|3,0,0]=4 642 B10R0.1 C=CCN(C)CCCOCC 2230a_100000225617_100012232248 [1,0,0,0,0,0|3,0,0]=4 643 B10R0.1 C=CCN(C)CCCOCC 269982a_100000225617_100012232248 [1,0,0,0,0,0|3,0,0]=4 644 B10R0.1 C=CCN(C)CCOCCC 2230a_100000225617_100011215938 [1,0,0,0,0,0|3,0,0]=4 645 B10R0.1 C=CCN(C)CCOCCC 269982a_100000225617_100011215938 [1,0,0,0,0,0|3,0,0]=4 646 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [1,0,0,0,0,0|3,0,0]=4 647 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [1,0,0,0,0,0|3,0,0]=4 648 B10R0.1 C=CCOCCC(=O)CC=C 1458a_200011217002_100000210623 [1,0,0,0,0,0|1,0,2]=4 649 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [1,0,0,0,0,0|2,0,1]=4 650 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [1,0,0,0,0,0|2,0,1]=4 651 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [1,0,0,0,0,0|2,0,1]=4 652 B10R0.1 C=COC(=O)CNCC#CC 2230a_100000685387_100000036128 [1,0,0,0,0,0|1,0,2]=4 653 B10R0.1 C=COC(=O)CNCC#CC 34a_100000685387_100000036128 [1,0,0,0,0,0|1,0,2]=4 654 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [1,0,0,0,0,0|1,0,0]=2 655 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [1,0,0,0,0,0|2,0,0]=3 656 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [1,0,0,0,0,0|2,0,0]=3 657 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [1,0,0,0,0,0|2,0,0]=3 658 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [1,0,0,0,0,0|2,0,0]=3 659 B10R0.1 C=COC(=O)COC/C=C/C 34a_100016270725_100000036128 [1,0,0,0,0,0|1,0,2]=4 660 B10R0.1 C=COC(=O)COCC#CC 34a_100000761923_100000036128 [1,0,0,0,0,0|1,0,2]=4 661 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [1,0,0,0,0,0|2,0,0]=3 662 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [1,0,0,0,0,0|1,0,0]=2 663 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [1,0,0,0,0,0|2,0,0]=3 664 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [1,0,0,0,0,0|2,0,0]=3 665 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [1,0,0,0,0,0|2,0,0]=3 666 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [1,0,0,0,0,0|2,0,0]=3 667 B10R0.1 C=COC(=O)COCCON 34a_100000700252_100000036128 [1,0,0,0,0,0|3,0,0]=4 668 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [1,0,0,0,0,0|2,0,0]=3 669 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100000036128_100102629194 [1,0,0,0,0,0|1,0,2]=4 670 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100102629194_100000036128 [1,0,0,0,0,0|1,0,2]=4 671 B10R0.1 C=COC(=O)CSCC#CC 62a_100000036128_100000748600 [1,0,0,0,0,0|1,0,2]=4 672 B10R0.1 C=COC(=O)CSCC#CC 62a_100000748600_100000036128 [1,0,0,0,0,0|1,0,2]=4 673 B10R0.1 C=COC(=O)CSCC=CC 62a_100000036128_100000070051 [1,0,0,0,0,0|1,0,2]=4 674 B10R0.1 C=COC(=O)CSCC=CC 62a_100000070051_100000036128 [1,0,0,0,0,0|1,0,2]=4 675 B10R0.1 C=COC(=O)CSCCC#N 62a_100000036128_100011215226 [1,0,0,0,0,0|2,0,1]=4 676 B10R0.1 C=COC(=O)CSCCC#N 62a_100011215226_100000036128 [1,0,0,0,0,0|2,0,1]=4 677 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [1,0,0,0,0,0|1,0,0]=2 678 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [1,0,0,0,0,0|1,0,0]=2 679 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [1,0,0,0,0,0|2,0,0]=3 680 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [1,0,0,0,0,0|2,0,0]=3 681 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [1,0,0,0,0,0|2,0,0]=3 682 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [1,0,0,0,0,0|2,0,0]=3 683 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [1,0,0,0,0,0|2,0,0]=3 684 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [1,0,0,0,0,0|2,0,0]=3 685 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [1,0,0,0,0,0|2,0,0]=3 686 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [1,0,0,0,0,0|2,0,0]=3 687 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [1,0,0,0,0,0|2,0,0]=3 688 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [1,0,0,0,0,0|2,0,0]=3 689 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [1,0,0,0,0,0|0,0,3]=4 690 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,0,0,0,0,0|0,0,2]=3 691 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [1,0,0,0,0,0|1,0,2]=4 692 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,0,0,0,0,0|1,0,2]=4 693 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [1,0,0,0,0,0|1,0,2]=4 694 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,0,0,0,0,0|1,0,2]=4 695 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,0,0,0,0,0|1,0,2]=4 696 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,0,0,0,0,0|1,0,2]=4 697 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,0,0,0,0,0|1,0,2]=4 698 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,0,0,0,0,0|1,0,2]=4 699 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,0,0,0,0,0|1,0,2]=4 700 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,0,0,0,0,0|1,0,2]=4 701 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,0,0,0,0|1,0,2]=4 702 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,0,0,0,0|1,0,2]=4 703 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,0,0,0,0,0|1,0,2]=4 704 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,0,0,0,0|1,0,2]=4 705 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [1,0,0,0,0,0|1,0,1]=3 706 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [1,0,0,0,0,0|1,0,1]=3 707 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [1,0,0,0,0,0|1,0,1]=3 708 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [1,0,0,0,0,0|1,0,1]=3 709 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [1,0,0,0,0,0|1,0,1]=3 710 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,0,0,0,0|0,0,2]=3 711 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,0,0,0,0|0,0,2]=3 712 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,0,0,0,0,0|1,0,1]=3 713 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,0,0,0,0,0|1,0,1]=3 714 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,0,0,0,0,0|1,0,1]=3 715 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,0,0,0,0,0|1,0,1]=3 716 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,0,0,0,0,0|1,0,1]=3 717 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,0,0,0,0|1,0,1]=3 718 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,0,0,0,0|1,0,1]=3 719 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,0,0,0,0|1,0,1]=3 720 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [1,0,0,0,0,0|2,0,1]=4 721 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,0,0,0,0,0|1,0,2]=4 722 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,0,0,0,0,0|1,0,2]=4 723 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,0,0,0,0,0|1,0,2]=4 724 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,0,0,0,0,0|2,0,1]=4 725 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,0,0,0,0,0|2,0,1]=4 726 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [1,0,0,0,0,0|3,0,0]=4 727 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [1,0,0,0,0,0|3,0,0]=4 728 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [1,0,0,0,0,0|2,0,1]=4 729 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [1,0,0,0,0,0|2,0,1]=4 730 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [1,0,0,0,0,0|2,0,1]=4 731 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [1,0,0,0,0,0|2,0,1]=4 732 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [1,0,0,0,0,0|2,0,1]=4 733 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [1,0,0,0,0,0|2,0,1]=4 734 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [1,0,0,0,0,0|2,0,1]=4 735 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [1,0,0,0,0,0|2,0,1]=4 736 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,0,0,0,0,0|1,0,2]=4 737 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,0,0,0,0,0|1,0,2]=4 738 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,0,0,0,0,0|1,0,2]=4 739 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,0,0,0,0,0|1,0,2]=4 740 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,0,0,0,0,0|2,0,1]=4 741 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,0,0,0,0,0|2,0,1]=4 742 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,0,0,0,0,0|2,0,1]=4 743 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,0,0,0,0,0|2,0,1]=4 744 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 745 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 746 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 747 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,0,0,0,0,0|2,0,1]=4 748 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,0,0,0,0,0|2,0,1]=4 749 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 750 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 751 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 752 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,0,0,0,0,0|2,0,1]=4 753 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,0,0,0,0,0|2,0,1]=4 754 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,0,0,0,0,0|2,0,1]=4 755 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,0,0,0,0,0|2,0,1]=4 756 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,0,0,0,0,0|2,0,1]=4 757 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,0,0,0,0,0|2,0,1]=4 758 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,0,0,0,0,0|2,0,1]=4 759 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,0,0,0,0,0|2,0,1]=4 760 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,0,0,0,0,0|2,0,1]=4 761 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,0,0,0,0,0|2,0,1]=4 762 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,0,0,0,0,0|2,0,1]=4 763 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,0,0,0,0,0|1,0,2]=4 764 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,0,0,0,0,0|1,0,2]=4 765 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,0,0,0,0,0|2,0,1]=4 766 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,0,0,0,0,0|2,0,1]=4 767 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,0,0,0,0,0|2,0,1]=4 768 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [1,0,0,0,0,0|3,0,0]=4 769 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [1,0,0,0,0,0|3,0,0]=4 770 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,0,0,0,0,0|1,0,1]=3 771 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,0,0,0,0,0|1,0,1]=3 772 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [1,0,0,0,0,0|2,0,1]=4 773 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [1,0,0,0,0,0|2,0,1]=4 774 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [1,0,0,0,0,0|2,0,1]=4 775 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [1,0,0,0,0,0|2,0,1]=4 776 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [1,0,0,0,0,0|2,0,1]=4 777 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,0,0,0,0,0|1,0,2]=4 778 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,0,0,0,0,0|1,0,2]=4 779 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,0,0,0,0,0|1,0,2]=4 780 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,0,0,0,0,0|2,0,1]=4 781 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,0,0,0,0,0|2,0,1]=4 782 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,0,0,0,0,0|2,0,1]=4 783 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,0,0,0,0,0|2,0,1]=4 784 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,0,0,0,0,0|2,0,1]=4 785 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,0,0,0,0,0|2,0,1]=4 786 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,0,0,0,0,0|2,0,1]=4 787 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,0,0,0,0,0|2,0,1]=4 788 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,0,0,0,0,0|2,0,1]=4 789 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,0,0,0,0,0|2,0,1]=4 790 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [1,0,0,0,0,0|3,0,0]=4 791 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [1,0,0,0,0,0|3,0,0]=4 792 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,0,0,0,0,0|1,0,1]=3 793 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,0,0,0,0,0|1,0,1]=3 794 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [1,0,0,0,0,0|2,0,1]=4 795 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,0,0,0,0,0|1,0,2]=4 796 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,0,0,0,0,0|1,0,2]=4 797 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,0,0,0,0,0|1,0,2]=4 798 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,0,0,0,0,0|2,0,1]=4 799 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,0,0,0,0,0|2,0,1]=4 800 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,0,0,0,0,0|2,0,1]=4 801 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,0,0,0,0,0|2,0,1]=4 802 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,0,0,0,0,0|2,0,1]=4 803 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,0,0,0,0,0|2,0,1]=4 804 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,0,0,0,0,0|2,0,1]=4 805 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [1,0,0,0,0,0|3,0,0]=4 806 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [1,0,0,0,0,0|3,0,0]=4 807 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,0,0,0,0,0|1,0,1]=3 808 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,0,0,0,0,0|1,0,1]=3 809 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,0,0,0,0,0|2,0,1]=4 810 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [1,0,0,0,0,0|2,0,1]=4 811 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [1,0,0,0,0,0|2,0,1]=4 812 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [1,0,0,0,0,0|2,0,1]=4 813 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [1,0,0,0,0,0|2,0,1]=4 814 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,0,0,0,0|1,0,2]=4 815 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,0,0,0,0,0|2,0,1]=4 816 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,0,0,0,0,0|2,0,1]=4 817 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,0,0,0,0,0|2,0,1]=4 818 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,0,0,0,0,0|1,0,1]=3 819 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,0,0,0,0,0|2,0,1]=4 820 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,0,0,0,0,0|2,0,1]=4 821 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,0,0,0,0,0|1,0,1]=3 822 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,0,0,0,0,0|1,0,1]=3 823 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,0,0,0,0,0|2,0,1]=4 824 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,0,0,0,0,0|2,0,1]=4 825 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,0,0,0,0,0|1,0,1]=3 826 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,0,0,0,0,0|1,0,1]=3 827 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,0,0,0,0,0|1,0,1]=3 828 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,0,0,0,0,0|1,0,1]=3 829 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,0,0,0,0,0|1,0,1]=3 830 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,0,0,0,0,0|1,0,1]=3 831 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,0,0,0,0,0|1,0,1]=3 832 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,0,0,0,0,0|1,0,1]=3 833 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,0,0,0,0,0|1,0,1]=3 834 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,0,0,0,0,0|2,0,1]=4 835 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,0,0,0,0,0|1,0,1]=3 836 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,0,0,0,0,0|1,0,1]=3 837 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,0,0,0,0,0|2,0,1]=4 838 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,0,0,0,0,0|2,0,1]=4 839 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,0,0,0,0,0|2,0,1]=4 840 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,0,0,0,0,0|2,0,1]=4 841 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,0,0,0,0,0|2,0,1]=4 842 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,0,0,0,0,0|2,0,1]=4 843 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,0,0,0,0,0|2,0,1]=4 844 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,0,0,0,0,0|2,0,1]=4 845 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,0,0,0,0,0|2,0,1]=4 846 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,0,0,0,0,0|2,0,1]=4 847 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,0,0,0,0,0|2,0,1]=4 848 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,0,0,0,0,0|2,0,1]=4 849 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,0,0,0,0,0|2,0,1]=4 850 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,0,0,0,0,0|2,0,1]=4 851 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,0,0,0,0,0|2,0,1]=4 852 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,0,0,0,0,0|2,0,1]=4 853 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,0,0,0,0,0|2,0,1]=4 854 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,0,0,0,0,0|2,0,1]=4 855 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,0,0,0,0,0|2,0,1]=4 856 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,0,0,0,0,0|2,0,1]=4 857 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,0,0,0,0,0|2,0,1]=4 858 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,0,0,0,0,0|2,0,1]=4 859 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,0,0,0,0,0|2,0,1]=4 860 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,0,0,0,0,0|2,0,1]=4 861 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,0,0,0,0,0|2,0,1]=4 862 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,0,0,0,0,0|2,0,1]=4 863 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,0,0,0,0,0|2,0,1]=4 864 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,0,0,0,0,0|2,0,1]=4 865 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,0,0,0,0,0|2,0,1]=4 866 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,0,0,0,0,0|2,0,1]=4 867 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,0,0,0,0,0|2,0,1]=4 868 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,0,0,0,0,0|2,0,1]=4 869 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,0,0,0,0,0|2,0,1]=4 870 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,0,0,0,0,0|2,0,1]=4 871 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,0,0,0,0,0|2,0,1]=4 872 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,0,0,0,0,0|2,0,1]=4 873 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,0,0,0,0,0|2,0,1]=4 874 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,0,0,0,0,0|2,0,1]=4 875 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,0,0,0,0,0|2,0,1]=4 876 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,0,0,0,0,0|2,0,1]=4 877 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,0,0,0,0,0|2,0,1]=4 878 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,0,0,0,0,0|2,0,1]=4 879 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,0,0,0,0,0|2,0,1]=4 880 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,0,0,0,0,0|2,0,1]=4 881 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,0,0,0,0,0|2,0,1]=4 882 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [1,0,0,0,0,0|2,0,1]=4 883 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [1,0,0,0,0,0|2,0,1]=4 884 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [1,0,0,0,0,0|2,0,1]=4 885 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [1,0,0,0,0,0|2,0,1]=4 886 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,0,0,0,0,0|2,0,1]=4 887 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,0,0,0,0,0|2,0,1]=4 888 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,0,0,0,0,0|2,0,1]=4 889 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,0,0,0,0,0|1,0,1]=3 890 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,0,0,0,0,0|1,0,1]=3 891 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,0,0,0,0,0|2,0,1]=4 892 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,0,0,0,0,0|2,0,1]=4 893 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,0,0,0,0,0|2,0,1]=4 894 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,0,0,0,0,0|2,0,1]=4 895 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,0,0,0,0,0|2,0,1]=4 896 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [1,0,0,0,0,0|2,0,1]=4 897 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [1,0,0,0,0,0|2,0,1]=4 898 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [1,0,0,0,0,0|2,0,1]=4 899 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [1,0,0,0,0,0|2,0,1]=4 900 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,0,0,0,0,0|2,0,1]=4 901 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,0,0,0,0,0|2,0,1]=4 902 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,0,0,0,0,0|2,0,1]=4 903 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,0,0,0,0,0|2,0,1]=4 904 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,0,0,0,0,0|2,0,1]=4 905 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [1,0,0,0,0,0|2,0,1]=4 906 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [1,0,0,0,0,0|2,0,1]=4 907 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [1,0,0,0,0,0|2,0,1]=4 908 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [1,0,0,0,0,0|2,0,1]=4 909 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [1,0,0,0,0,0|2,0,1]=4 910 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [1,0,0,0,0,0|2,0,1]=4 911 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [1,0,0,0,0,0|2,0,1]=4 912 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [1,0,0,0,0,0|2,0,1]=4 913 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [1,0,0,0,0,0|2,0,1]=4 914 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,0,0,0,0,0|2,0,1]=4 917 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,0,0,0,0,0|2,0,1]=4 918 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [1,0,0,0,0,0|0,0,3]=4 919 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [1,0,0,0,0,0|0,0,3]=4 920 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [1,0,0,0,0,0|0,0,3]=4 921 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,0,0,0,0,0|0,0,3]=4 922 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,0,0,0,0,0|0,0,3]=4 923 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,0,0,0,0,0|0,0,3]=4 924 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [1,0,0,0,0,0|3,0,0]=4 925 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|2,0,1]=4 926 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|2,0,1]=4 927 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|2,0,1]=4 928 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|2,0,1]=4 929 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|2,0,1]=4 930 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|2,0,1]=4 931 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|2,0,1]=4 933 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|2,0,1]=4 934 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|2,0,1]=4 935 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|2,0,1]=4 936 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|2,0,1]=4 937 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|2,0,1]=4 938 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|2,0,1]=4 939 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|2,0,1]=4 940 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|2,0,1]=4 941 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|2,0,1]=4 942 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|2,0,1]=4 943 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [1,0,0,0,0,0|0,0,3]=4 944 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [1,0,0,0,0,0|0,0,3]=4 945 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [1,0,0,0,0,0|0,0,3]=4 946 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|2,0,1]=4 947 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 948 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 949 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|2,0,1]=4 950 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|2,0,1]=4 951 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|2,0,1]=4 952 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|2,0,1]=4 953 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|2,0,1]=4 954 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|2,0,1]=4 955 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 956 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|2,0,1]=4 957 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 958 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|2,0,1]=4 959 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|2,0,1]=4 960 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|2,0,1]=4 961 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|2,0,1]=4 962 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|2,0,1]=4 963 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|2,0,1]=4 964 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 965 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|2,0,1]=4 966 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 967 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|2,0,1]=4 968 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|2,0,1]=4 969 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|2,0,1]=4 970 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|2,0,0]=3 971 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|2,0,0]=3 972 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,0,0,0,0,0|3,0,0]=4 973 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|3,0,0]=4 974 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|3,0,0]=4 975 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|3,0,0]=4 976 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|3,0,0]=4 977 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,0,0,0,0,0|3,0,0]=4 978 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,0,0,0,0,0|3,0,0]=4 979 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,0,0,0,0,0|3,0,0]=4 980 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,0,0,0,0,0|3,0,0]=4 981 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,0,0,0,0,0|3,0,0]=4 982 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,0,0,0,0,0|3,0,0]=4 983 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,0,0,0,0,0|3,0,0]=4 984 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,0,0,0,0,0|3,0,0]=4 985 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,0,0,0,0,0|3,0,0]=4 986 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,0,0,0,0,0|3,0,0]=4 987 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|2,0,0]=3 988 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|2,0,0]=3 989 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|2,0,0]=3 990 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,0,0,0,0,0|3,0,0]=4 991 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,0,0,0,0,0|3,0,0]=4 992 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,0,0,0,0,0|3,0,0]=4 993 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,0,0,0,0,0|3,0,0]=4 994 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,0,0,0,0,0|3,0,0]=4 995 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,0,0,0,0,0|3,0,0]=4 996 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|3,0,0]=4 997 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|3,0,0]=4 998 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|3,0,0]=4 999 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|3,0,0]=4 1000 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|3,0,0]=4 1001 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,0,0,0,0,0|3,0,0]=4 1002 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,0,0,0,0,0|3,0,0]=4 1003 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,0,0,0,0,0|3,0,0]=4 1004 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,0,0,0,0,0|3,0,0]=4 1005 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,0,0,0,0,0|3,0,0]=4 1006 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,0,0,0,0,0|3,0,0]=4 1007 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,0,0,0,0,0|3,0,0]=4 1008 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,0,0,0,0,0|3,0,0]=4 1009 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,0,0,0,0,0|3,0,0]=4 1010 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,0,0,0,0,0|3,0,0]=4 1011 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,0,0,0,0,0|3,0,0]=4 1012 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|2,0,0]=3 1013 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|2,0,0]=3 1014 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,0,0,0,0,0|3,0,0]=4 1015 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,0,0,0,0,0|3,0,0]=4 1016 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|3,0,0]=4 1017 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|3,0,0]=4 1018 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|3,0,0]=4 1019 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|3,0,0]=4 1020 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,0,0,0,0,0|3,0,0]=4 1021 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,0,0,0,0,0|3,0,0]=4 1022 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,0,0,0,0,0|3,0,0]=4 1023 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,0,0,0,0,0|3,0,0]=4 1024 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,0,0,0,0,0|3,0,0]=4 1025 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,0,0,0,0,0|3,0,0]=4 1026 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,1]=3 1027 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,1]=3 1028 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,0,0,0,0,0|2,0,1]=4 1029 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|2,0,1]=4 1030 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|2,0,1]=4 1031 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,1]=4 1032 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,0,0,0,0,0|2,0,1]=4 1033 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,0,0,0,0,0|2,0,1]=4 1034 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,0,0,0,0,0|2,0,1]=4 1035 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,0,0,0,0,0|2,0,1]=4 1036 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,0,0,0,0,0|2,0,1]=4 1037 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,0,0,0,0,0|2,0,1]=4 1038 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [1,0,0,0,0,0|0,0,3]=4 1039 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [1,0,0,0,0,0|0,0,3]=4 1040 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [1,0,0,0,0,0|0,0,3]=4 1041 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [1,0,0,0,0,0|0,0,3]=4 1042 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [1,0,0,0,0,0|0,0,3]=4 1043 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [1,0,0,0,0,0|0,0,3]=4 1044 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [1,0,0,0,0,0|0,0,3]=4 1045 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [1,0,0,0,0,0|0,0,3]=4 1046 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,0,0,0,0|1,0,1]=3 1047 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,0,0,0,0|1,0,1]=3 1048 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|0,0,1]=2 1049 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|0,0,1]=2 1050 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|0,0,1]=2 1051 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,0,0,0,0|1,0,1]=3 1052 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,0,0,0,0|1,0,1]=3 1053 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,0,0,0,0|1,0,1]=3 1054 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,0,0,0,0|1,0,1]=3 1055 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,0,0,0,0|1,0,1]=3 1056 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,0,0,0,0|1,0,1]=3 1057 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|1,0,1]=3 1058 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,0,0,0,0|1,0,1]=3 1059 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,0,0,0,0|1,0,1]=3 1060 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,0,0,0,0|1,0,1]=3 1061 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,0,0,0,0|1,0,1]=3 1062 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,0,0,0,0|1,0,1]=3 1063 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,0,0,0,0|1,0,1]=3 1064 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [1,0,0,0,0,0|2,0,1]=4 1065 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [1,0,0,0,0,0|2,0,1]=4 1066 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [1,0,0,0,0,0|2,0,1]=4 1067 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [1,0,0,0,0,0|2,0,1]=4 1068 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [1,0,0,0,0,0|2,0,1]=4 1069 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [1,0,0,0,0,0|2,0,1]=4 1070 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [1,0,0,0,0,0|2,0,1]=4 1071 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [1,0,0,0,0,0|2,0,1]=4 1072 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [1,0,0,0,0,0|2,0,1]=4 1073 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [1,0,0,0,0,0|2,0,1]=4 1074 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [1,0,0,0,0,0|2,0,1]=4 1075 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [1,0,0,0,0,0|2,0,1]=4 1076 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [1,0,0,0,0,0|2,0,1]=4 1077 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [1,0,0,0,0,0|2,0,1]=4 1078 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [1,0,0,0,0,0|2,0,1]=4 1079 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [1,0,0,0,0,0|2,0,1]=4 1080 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,0,0,0,0,0|1,0,1]=3 1081 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,0,0,0,0,0|1,0,1]=3 1082 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|0,1,1]=3 1083 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|0,1,1]=3 1084 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,0,0,0,0,0|1,1,1]=4 1085 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,0,0,0,0,0|1,1,1]=4 1086 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|1,1,1]=4 1087 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|1,1,1]=4 1088 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,0,0,0,0,0|1,1,1]=4 1089 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,0,0,0,0,0|1,1,1]=4 1090 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 1091 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 1092 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 1093 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 1094 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|2,0,1]=4 1095 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,0,0,0,0,0|1,0,2]=4 1096 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,1]=3 1097 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,1]=3 1098 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|1,0,2]=4 1099 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|0,0,3]=4 1100 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|0,0,3]=4 1101 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|0,0,3]=4 1102 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|1,0,2]=4 1103 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|1,0,2]=4 1104 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|1,0,2]=4 1105 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,2]=4 1106 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,2]=4 1107 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|1,0,2]=4 1108 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,1,1]=4 1109 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,1,1]=4 1110 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|2,0,1]=4 1111 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|2,0,1]=4 1112 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|2,0,1]=4 1113 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|2,0,1]=4 1114 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|2,0,1]=4 1115 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,1]=4 1116 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|2,0,1]=4 1117 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|2,0,1]=4 1118 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|2,0,1]=4 1119 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|2,0,1]=4 1120 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|2,0,1]=4 1121 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|2,0,1]=4 1122 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,0,0,0,0,0|1,0,2]=4 1123 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,0,0,0,0,0|1,0,2]=4 1124 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000690238_100000754431 [1,0,0,0,0,0|1,0,2]=4 1125 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000749702_100000731252 [1,0,0,0,0,0|1,0,2]=4 1126 B10R0.91 C#CCCCC(=O)NCC=C 1626a_100020586998_100000690238 [1,0,0,0,0,0|1,0,2]=4 1127 B10R0.91 C#CCCCC(=O)NCC=C 240690a_100020586998_100000690238 [1,0,0,0,0,0|1,0,2]=4 1128 B10R0.91 C#CCCCC(=O)NCC=C 527a_100020586998_100000690238 [1,0,0,0,0,0|1,0,2]=4 1129 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1130 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1131 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1132 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [1,0,0,0,0,0|1,0,2]=4 1133 B10R0.91 C#CCNCC(=O)OCC=C 34a_100000212058_100000033060 [1,0,0,0,0,0|1,0,2]=4 1134 B10R0.91 C#CCOCC(=O)OCC=C 34a_100000210247_100000033060 [1,0,0,0,0,0|1,0,2]=4 1135 B10R0.91 C#CCSCC(=O)OCC=C 62a_100000038162_100000033060 [1,0,0,0,0,0|1,0,2]=4 1136 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,0,0,0,0,0|1,0,2]=4 1137 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [1,0,0,0,0,0|1,0,1]=3 1138 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [1,0,0,0,0,0|2,0,1]=4 1139 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [1,0,0,0,0,0|2,0,1]=4 1140 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [1,0,0,0,0,0|2,0,1]=4 1141 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [1,0,0,0,0,0|2,0,1]=4 1142 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [1,0,0,0,0,0|2,0,1]=4 1143 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [1,0,0,0,0,0|2,0,1]=4 1144 B10R0.91 C=CCCC(=O)C#CCCC 1458a_200011218047_100000754431 [1,0,0,0,0,0|1,0,2]=4 1145 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [1,0,0,0,0,0|1,0,2]=4 1146 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [1,0,0,0,0,0|1,0,2]=4 1147 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [1,0,0,0,0,0|1,0,2]=4 1148 B10R0.91 C=CCCC(=O)CC#CCC 1458a_100000749702_100009813939 [1,0,0,0,0,0|1,0,2]=4 1149 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000075515_100000754431 [1,0,0,0,0,0|2,0,1]=4 1150 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000749702_100000211468 [1,0,0,0,0,0|2,0,1]=4 1151 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,0,0,0,0,0|1,0,0]=2 1152 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,0,0,0,0,0|1,0,0]=2 1153 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [1,0,0,0,0,0|2,0,0]=3 1154 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [1,0,0,0,0,0|2,0,0]=3 1155 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [1,0,0,0,0,0|2,0,0]=3 1156 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [1,0,0,0,0,0|2,0,0]=3 1157 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [1,0,0,0,0,0|2,0,0]=3 1158 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [1,0,0,0,0,0|2,0,0]=3 1159 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [1,0,0,0,0,0|2,0,0]=3 1160 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [1,0,0,0,0,0|2,0,0]=3 1161 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [1,0,0,0,0,0|2,0,0]=3 1162 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [1,0,0,0,0,0|2,0,0]=3 1163 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [1,0,0,0,0,0|2,0,0]=3 1164 B10R0.91 C=CCCC(=O)COCCO 1458a_100000708028_100000754431 [1,0,0,0,0,0|3,0,0]=4 1165 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [1,0,0,0,0,0|2,0,0]=3 1166 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,0,0,0,0,0|2,0,0]=3 1167 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,0,0,0,0,0|2,0,0]=3 1168 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,0,0,0,0,0|2,0,0]=3 1169 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,0,0,0,0,0|2,0,0]=3 1170 B10R0.91 C=CCCC(=O)NCCCF 11a_100015189416_100000749702 [1,0,0,0,0,0|3,0,0]=4 1171 B10R0.91 C=CCCC(=O)NCCCF 1626a_100015189416_100000749702 [1,0,0,0,0,0|3,0,0]=4 1172 B10R0.91 C=CCCC(=O)NCCCF 240690a_100015189416_100000749702 [1,0,0,0,0,0|3,0,0]=4 1173 B10R0.91 C=CCCC(=O)NCCCF 527a_100015189416_100000749702 [1,0,0,0,0,0|3,0,0]=4 1174 B10R0.91 C=CCCC(=O)NCCCO 240690a_100000182051_100000749702 [1,0,0,0,0,0|3,0,0]=4 1175 B10R0.91 C=CCCC(=O)NCCCO 527a_100000182051_100000749702 [1,0,0,0,0,0|3,0,0]=4 1176 B10R0.91 C=CCCC(=O)NCCOC 1626a_100000209980_100000749702 [1,0,0,0,0,0|3,0,0]=4 1177 B10R0.91 C=CCCC(=O)NCCOC 240690a_100000209980_100000749702 [1,0,0,0,0,0|3,0,0]=4 1178 B10R0.91 C=CCCC(=O)NCCOC 527a_100000209980_100000749702 [1,0,0,0,0,0|3,0,0]=4 1179 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [1,0,0,0,0,0|3,0,0]=4 1180 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [1,0,0,0,0,0|3,0,0]=4 1181 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [1,0,0,0,0,0|3,0,0]=4 1182 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [1,0,0,0,0,0|3,0,0]=4 1183 B10R0.91 C=CCCC(=O)NNCCC 22a_100000740057_100000749702 [1,0,0,0,0,0|3,0,0]=4 1184 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000749702_100000757094 [1,0,0,0,0,0|1,0,2]=4 1185 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000766728_100000754431 [1,0,0,0,0,0|1,0,2]=4 1186 B10R0.91 C=CCCCC(=O)NCC=C 1626a_100020586998_100000766728 [1,0,0,0,0,0|1,0,2]=4 1187 B10R0.91 C=CCCCC(=O)NCC=C 240690a_100020586998_100000766728 [1,0,0,0,0,0|1,0,2]=4 1188 B10R0.91 C=CCCCC(=O)NCC=C 527a_100020586998_100000766728 [1,0,0,0,0,0|1,0,2]=4 1189 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [1,0,0,0,0,0|3,0,0]=4 1190 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [1,0,0,0,0,0|3,0,0]=4 1191 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [1,0,0,0,0,0|3,0,0]=4 1192 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [1,0,0,0,0,0|3,0,0]=4 1193 B10R0.91 C=CCNC(=O)C#CCCC 240690a_100020586998_200011218047 [1,0,0,0,0,0|1,0,2]=4 1194 B10R0.91 C=CCNC(=O)C/C=C/CC 1626a_100020586998_100016274230 [1,0,0,0,0,0|1,0,2]=4 1195 B10R0.91 C=CCNC(=O)C/C=C/CC 240690a_100020586998_100016274230 [1,0,0,0,0,0|1,0,2]=4 1196 B10R0.91 C=CCNC(=O)C/C=C/CC 527a_100020586998_100016274230 [1,0,0,0,0,0|1,0,2]=4 1197 B10R0.91 C=CCNC(=O)C=CCCC 1626a_100020586998_100000212230 [1,0,0,0,0,0|1,0,2]=4 1198 B10R0.91 C=CCNC(=O)C=CCCC 240690a_100020586998_100000212230 [1,0,0,0,0,0|1,0,2]=4 1199 B10R0.91 C=CCNC(=O)CCCC#N 1626a_100020586998_100000075515 [1,0,0,0,0,0|2,0,1]=4 1200 B10R0.91 C=CCNC(=O)CCCC#N 240690a_100020586998_100000075515 [1,0,0,0,0,0|2,0,1]=4 1201 B10R0.91 C=CCNC(=O)CCCC#N 527a_100020586998_100000075515 [1,0,0,0,0,0|2,0,1]=4 1202 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,0,0,0,0,0|1,0,0]=2 1203 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,0,0,0,0,0|1,0,0]=2 1204 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,0,0,0,0,0|1,0,0]=2 1205 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [1,0,0,0,0,0|2,0,0]=3 1206 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [1,0,0,0,0,0|2,0,0]=3 1207 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [1,0,0,0,0,0|2,0,0]=3 1208 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [1,0,0,0,0,0|2,0,0]=3 1209 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [1,0,0,0,0,0|2,0,0]=3 1210 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [1,0,0,0,0,0|2,0,0]=3 1211 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [1,0,0,0,0,0|2,0,0]=3 1212 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [1,0,0,0,0,0|2,0,0]=3 1213 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [1,0,0,0,0,0|2,0,0]=3 1214 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [1,0,0,0,0,0|2,0,0]=3 1215 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [1,0,0,0,0,0|2,0,0]=3 1216 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [1,0,0,0,0,0|2,0,0]=3 1217 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [1,0,0,0,0,0|2,0,0]=3 1218 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [1,0,0,0,0,0|2,0,0]=3 1219 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [1,0,0,0,0,0|2,0,0]=3 1220 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [1,0,0,0,0,0|2,0,0]=3 1221 B10R0.91 C=CCNC(=O)CCSCF 62a_100011222895_100015361967 [1,0,0,0,0,0|3,0,0]=4 1222 B10R0.91 C=CCNC(=O)CCSCF 62a_100015361967_100011222895 [1,0,0,0,0,0|3,0,0]=4 1223 B10R0.91 C=CCNC(=O)CNCCO 2230a_100016997473_100000183597 [1,0,0,0,0,0|3,0,0]=4 1224 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [1,0,0,0,0,0|2,0,0]=3 1225 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [1,0,0,0,0,0|2,0,0]=3 1226 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [1,0,0,0,0,0|2,0,0]=3 1227 B10R0.91 C=CCNC(=O)COCCO 1626a_100020586998_100000708028 [1,0,0,0,0,0|3,0,0]=4 1228 B10R0.91 C=CCNC(=O)COCCO 240690a_100020586998_100000708028 [1,0,0,0,0,0|3,0,0]=4 1229 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [1,0,0,0,0,0|2,0,0]=3 1230 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [1,0,0,0,0,0|2,0,0]=3 1231 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [1,0,0,0,0,0|2,0,0]=3 1232 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [1,0,0,0,0,0|2,0,0]=3 1233 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [1,0,0,0,0,0|2,0,0]=3 1234 B10R0.91 C=CCNC(=O)CSCCF 62a_100000183597_100011217306 [1,0,0,0,0,0|3,0,0]=4 1235 B10R0.91 C=CCNC(=O)CSCCF 62a_100011217306_100000183597 [1,0,0,0,0,0|3,0,0]=4 1236 B10R0.91 C=CCNC(=O)CSCCO 62a_100000183597_100000211926 [1,0,0,0,0,0|3,0,0]=4 1237 B10R0.91 C=CCNC(=O)CSCCO 62a_100000211926_100000183597 [1,0,0,0,0,0|3,0,0]=4 1238 B10R0.91 C=CCNC(=O)CSCOC 62a_100000183597_100000766300 [1,0,0,0,0,0|3,0,0]=4 1239 B10R0.91 C=CCNC(=O)CSCOC 62a_100000766300_100000183597 [1,0,0,0,0,0|3,0,0]=4 1240 B10R0.91 C=CCNC(=O)CSCSC 62a_100000183597_100011218213 [1,0,0,0,0,0|3,0,0]=4 1241 B10R0.91 C=CCNC(=O)CSCSC 62a_100011218213_100000183597 [1,0,0,0,0,0|3,0,0]=4 1242 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [1,0,0,0,0,0|2,0,0]=3 1243 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [1,0,0,0,0,0|2,0,0]=3 1244 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [1,0,0,0,0,0|2,0,0]=3 1245 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [1,0,0,0,0,0|2,0,0]=3 1246 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [1,0,0,0,0,0|2,0,0]=3 1247 B10R0.91 C=CCNC(=O)NCCCF 2708a_100015189416_100020586998 [1,0,0,0,0,0|3,0,0]=4 1248 B10R0.91 C=CCNC(=O)NCCCF 273464a_100015189416_100020586998 [1,0,0,0,0,0|3,0,0]=4 1249 B10R0.91 C=CCNC(=O)NCCCF 273464a_100020586998_100015189416 [1,0,0,0,0,0|3,0,0]=4 1250 B10R0.91 C=CCNC(=O)NCCCF 512a_100015189416_100020586998 [1,0,0,0,0,0|3,0,0]=4 1251 B10R0.91 C=CCNC(=O)NCCCF 512a_100020586998_100015189416 [1,0,0,0,0,0|3,0,0]=4 1252 B10R0.91 C=CCNC(=O)NCCCO 273464a_100000182051_100020586998 [1,0,0,0,0,0|3,0,0]=4 1253 B10R0.91 C=CCNC(=O)NCCCO 273464a_100020586998_100000182051 [1,0,0,0,0,0|3,0,0]=4 1254 B10R0.91 C=CCNC(=O)NCCCO 512a_100020586998_100000182051 [1,0,0,0,0,0|3,0,0]=4 1255 B10R0.91 C=CCNC(=O)NCCOC 273464a_100000209980_100020586998 [1,0,0,0,0,0|3,0,0]=4 1256 B10R0.91 C=CCNC(=O)NCCOC 273464a_100020586998_100000209980 [1,0,0,0,0,0|3,0,0]=4 1257 B10R0.91 C=CCNC(=O)NCCSC 2708a_100020590264_100020586998 [1,0,0,0,0,0|3,0,0]=4 1258 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020586998_100020590264 [1,0,0,0,0,0|3,0,0]=4 1259 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020590264_100020586998 [1,0,0,0,0,0|3,0,0]=4 1260 B10R0.91 C=CCNC(=O)NCCSC 512a_100020586998_100020590264 [1,0,0,0,0,0|3,0,0]=4 1261 B10R0.91 C=CCNC(=O)NCCSC 512a_100020590264_100020586998 [1,0,0,0,0,0|3,0,0]=4 1262 B10R0.91 C=CCNC(=O)NNCCC 273464a_100020586998_100000740057 [1,0,0,0,0,0|3,0,0]=4 1263 B10R0.91 C=CCNC(=O)NNCCC 512a_100000740057_100020586998 [1,0,0,0,0,0|3,0,0]=4 1264 B10R0.91 C=CCNC(=O)NNCCC 512a_100020586998_100000740057 [1,0,0,0,0,0|3,0,0]=4 1265 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [1,0,0,0,0,0|2,0,1]=4 1266 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [1,0,0,0,0,0|2,0,1]=4 1267 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [1,0,0,0,0,0|2,0,1]=4 1268 B10R0.91 C=CCNCC(=O)OCC=C 2230a_100020586998_100000033060 [1,0,0,0,0,0|1,0,2]=4 1269 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [1,0,0,0,0,0|2,0,0]=3 1270 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [1,0,0,0,0,0|2,0,0]=3 1271 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [1,0,0,0,0,0|2,0,0]=3 1272 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [1,0,0,0,0,0|2,0,0]=3 1273 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [1,0,0,0,0,0|1,0,0]=2 1274 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [1,0,0,0,0,0|2,0,0]=3 1275 B10R0.91 C=CCOC(=O)CSCC#N 62a_100000033060_100011215382 [1,0,0,0,0,0|2,0,1]=4 1276 B10R0.91 C=CCOC(=O)CSCC#N 62a_100011215382_100000033060 [1,0,0,0,0,0|2,0,1]=4 1277 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000033060_100000210623 [1,0,0,0,0,0|1,0,2]=4 1278 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000210623_100000033060 [1,0,0,0,0,0|1,0,2]=4 1279 B10R0.91 C=CCOC(=O)CSCC=O 62a_100000033060_200015260668 [1,0,0,0,0,0|2,0,1]=4 1280 B10R0.91 C=CCOC(=O)CSCC=O 62a_200015260668_100000033060 [1,0,0,0,0,0|2,0,1]=4 1281 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [1,0,0,0,0,0|1,0,0]=2 1282 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [1,0,0,0,0,0|1,0,0]=2 1283 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [1,0,0,0,0,0|2,0,0]=3 1284 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [1,0,0,0,0,0|2,0,0]=3 1285 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [1,0,0,0,0,0|2,0,0]=3 1286 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [1,0,0,0,0,0|2,0,0]=3 1287 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [1,0,0,0,0,0|2,0,0]=3 1288 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [1,0,0,0,0,0|2,0,0]=3 1289 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [1,0,0,0,0,0|2,0,0]=3 1290 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [1,0,0,0,0,0|2,0,0]=3 1291 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [1,0,0,0,0,0|1,0,1]=3 1292 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [1,0,0,0,0,0|1,0,1]=3 1293 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [1,0,0,0,0,0|1,0,1]=3 1294 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [1,0,0,0,0,0|2,0,1]=4 1295 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [1,0,0,0,0,0|2,0,1]=4 1296 B10R0.91 C=CCOCC(=O)OCC=C 34a_200000210373_100000033060 [1,0,0,0,0,0|1,0,2]=4 1297 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [1,0,0,0,0,0|1,1,1]=4 1298 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [1,0,0,0,0,0|1,1,1]=4 1299 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,0,0,0,0,0|1,0,2]=4 1300 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,0,0,0,0,0|1,0,2]=4 1301 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,0,0,0,0,0|2,0,1]=4 1302 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,0,0,0,0,0|2,0,1]=4 1303 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,0,0,0,0,0|2,0,1]=4 1304 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,0,0,0,0,0|1,0,2]=4 1305 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,0,0,0,0,0|1,0,2]=4 1306 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,0,0,0,0,0|2,0,1]=4 1307 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,0,0,0,0,0|2,0,1]=4 1308 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,0,0,0,0,0|2,0,1]=4 1309 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,0,0,0,0,0|2,0,1]=4 1310 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,0,0,0,0,0|2,0,1]=4 1311 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,0,0,0,0,0|2,0,1]=4 1312 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [1,0,0,0,0,0|2,0,1]=4 1313 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [1,0,0,0,0,0|2,0,1]=4 1314 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,0,0,0,0,0|1,0,2]=4 1315 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,0,0,0,0,0|1,0,2]=4 1316 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,0,0,0,0,0|1,0,2]=4 1317 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,0,0,0,0,0|1,0,2]=4 1318 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,0,0,0,0,0|2,0,1]=4 1319 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,0,0,0,0,0|2,0,1]=4 1320 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,0,0,0,0,0|2,0,1]=4 1321 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,0,0,0,0,0|2,0,1]=4 1322 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,0,0,0,0,0|2,0,1]=4 1323 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,0,0,0,0,0|2,0,1]=4 1324 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,0,0,0,0,0|2,0,1]=4 1325 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,0,0,0,0,0|2,0,1]=4 1326 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,0,0,0,0,0|1,0,2]=4 1327 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,0,0,0,0,0|1,0,2]=4 1328 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,0,0,0,0,0|1,0,2]=4 1329 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,1,0,0,0,0|1,0,2]=4 1330 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,1,0,0,0,0|1,0,2]=4 1331 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000696528_100000757094 [0,1,0,0,0,0|1,0,2]=4 1332 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000766728_100010269958 [0,1,0,0,0,0|1,0,2]=4 1333 B12R0.47 C#CCCCCC(=O)CCOC=C 1458a_100000696528_100000039644 [0,1,0,0,0,0|1,0,2]=4 1334 B12R0.47 C#CCCCCC(=O)CSCC=C 1458a_100000230395_100010269958 [0,1,0,0,0,0|0,1,2]=4 1335 B12R0.47 C#CCCCCC(=O)NCCC=C 11a_100015191253_100000696528 [0,1,0,0,0,0|1,0,2]=4 1336 B12R0.47 C#CCCCCC(=O)NCCC=C 1626a_100015191253_100000696528 [0,1,0,0,0,0|1,0,2]=4 1337 B12R0.47 C#CCCCCC(=O)NCCC=C 240690a_100015191253_100000696528 [0,1,0,0,0,0|1,0,2]=4 1338 B12R0.47 C#CCCCCC(=O)NCCC=C 527a_100015191253_100000696528 [0,1,0,0,0,0|1,0,2]=4 1339 B12R0.47 C#CCCCCC(=O)NNCC=C 22a_100020588587_100000696528 [0,1,0,0,0,0|1,0,2]=4 1340 B12R0.47 C#CCCNC(=O)CCCCCC 11a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 1341 B12R0.47 C#CCCNC(=O)CCCCCC 1626a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 1342 B12R0.47 C#CCCNC(=O)CCCCCC 240690a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 1343 B12R0.47 C#CCCNC(=O)CCCCCC 527a_100000755551_100102632555 [0,1,0,0,0,0|1,0,2]=4 1344 B12R0.47 C#CCOCC(=O)CCCCCC 1458a_100011251226_100000210757 [0,1,0,0,0,0|0,0,2]=3 1345 B12R0.47 C#CCOCC(=O)CCCCCF 1458a_100011251226_100000729378 [0,1,0,0,0,0|1,0,2]=4 1346 B12R0.47 C#CCOCC(=O)CCCCCO 1458a_100011251226_100000746330 [0,1,0,0,0,0|1,0,2]=4 1347 B12R0.47 C#CCOCC(=O)CCCCOC 1458a_100011251226_100000755781 [0,1,0,0,0,0|1,0,2]=4 1348 B12R0.47 C#CCOCC(=O)CCCOCC 1458a_100011251226_100012232248 [0,1,0,0,0,0|1,0,2]=4 1349 B12R0.47 C#CCOCC(=O)CCOCCC 1458a_100011251226_100011215938 [0,1,0,0,0,0|1,0,2]=4 1350 B12R0.47 C#CCOCC(=O)COCCCC 1458a_100011251226_100011995733 [0,1,0,0,0,0|1,0,2]=4 1351 B12R0.47 C#CCOCC(=O)NCCCCC 11a_100000209983_100011251226 [0,1,0,0,0,0|1,0,2]=4 1352 B12R0.47 C#CCOCC(=O)NCCCCC 1626a_100000209983_100011251226 [0,1,0,0,0,0|1,0,2]=4 1353 B12R0.47 C#CCOCC(=O)NCCCCC 34a_100000210247_100000230301 [0,1,0,0,0,0|1,0,2]=4 1354 B12R0.47 C#CCOCC(=O)NCCCCC 527a_100000209983_100011251226 [0,1,0,0,0,0|1,0,2]=4 1355 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,1,0,0,0,0|1,0,1]=3 1356 B12R0.47 C/C=C/C=CC(=O)CCCCCF 1458a_100000185730_100000729378 [0,1,0,0,0,0|2,0,1]=4 1357 B12R0.47 C/C=C/C=CC(=O)CCCCCO 1458a_100000185730_100000746330 [0,1,0,0,0,0|2,0,1]=4 1358 B12R0.47 C/C=C/C=CC(=O)CCCCOC 1458a_100000185730_100000755781 [0,1,0,0,0,0|2,0,1]=4 1359 B12R0.47 C/C=C/C=CC(=O)CCCOCC 1458a_100000185730_100012232248 [0,1,0,0,0,0|2,0,1]=4 1360 B12R0.47 C/C=C/C=CC(=O)CCOCCC 1458a_100000185730_100011215938 [0,1,0,0,0,0|2,0,1]=4 1361 B12R0.47 C/C=C/C=CC(=O)COCCCC 1458a_100000185730_100011995733 [0,1,0,0,0,0|2,0,1]=4 1362 B12R0.47 C/C=C/C=CC(=O)NCCCCC 11a_100000209983_100000185730 [0,1,0,0,0,0|2,0,1]=4 1363 B12R0.47 C/C=C/C=CC(=O)NCCCCC 1626a_100000209983_100000185730 [0,1,0,0,0,0|2,0,1]=4 1364 B12R0.47 C/C=C/C=CC(=O)NCCCCC 240690a_100000209983_100000185730 [0,1,0,0,0,0|2,0,1]=4 1365 B12R0.47 C/C=C/CNC(C)CCCCCC 34a_100000210919_100102629194 [0,1,0,0,0,0|2,0,1]=4 1366 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100000210265_100102629194 [0,1,0,0,0,0|1,0,1]=3 1367 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100016270725_100011215978 [0,1,0,0,0,0|1,0,1]=3 1368 B12R0.47 C/C=C/COC(C)CCCCCC 7a_100000210265_100102629194 [0,1,0,0,0,0|1,0,1]=3 1369 B12R0.47 C/C=C/COC(C)COCCCC 34a_100011217071_100102629194 [0,1,0,0,0,0|2,0,1]=4 1370 B12R0.47 C/C=C/COC(C)COCCCC 7a_100011217071_100102629194 [0,1,0,0,0,0|2,0,1]=4 1371 B12R0.47 C/C=C/CSC(C)CCCCCC 62a_100011215978_100102629194 [0,1,0,0,0,0|1,1,1]=4 1372 B12R0.47 C/C=C/CSC(C)CCCCCC 62a_100102629194_100011215978 [0,1,0,0,0,0|1,1,1]=4 1373 B12R0.47 C=CCCCC(=O)C/C=C/CCC 1458a_200016266809_100000757094 [0,1,0,0,0,0|1,0,2]=4 1374 B12R0.47 C=CCCCC(=O)C=CCCCC 1458a_100016266645_100000757094 [0,1,0,0,0,0|1,0,2]=4 1375 B12R0.47 C=CCCCC(=O)CC/C=C\CC 1458a_100000766728_100015370543 [0,1,0,0,0,0|1,0,2]=4 1376 B12R0.47 C=CCCCC(=O)CCCCC#N 1458a_100000766728_100000211819 [0,1,0,0,0,0|2,0,1]=4 1377 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,1,0,0,0,0|1,0,0]=2 1378 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,1,0,0,0,0|1,0,0]=2 1379 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,1,0,0,0,0|2,0,0]=3 1380 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,1,0,0,0,0|2,0,0]=3 1381 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,1,0,0,0,0|2,0,0]=3 1382 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,1,0,0,0,0|2,0,0]=3 1383 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,1,0,0,0,0|2,0,0]=3 1384 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,1,0,0,0,0|2,0,0]=3 1385 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100000766728_100011215305 [0,1,0,0,0,0|3,0,0]=4 1386 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100011229844_100000757094 [0,1,0,0,0,0|3,0,0]=4 1387 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,1,0,0,0,0|2,0,0]=3 1388 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,1,0,0,0,0|2,0,0]=3 1389 B12R0.47 C=CCCCC(=O)COCCOC 1458a_100000211095_100000757094 [0,1,0,0,0,0|3,0,0]=4 1390 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,1,0,0,0,0|2,0,0]=3 1391 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,1,0,0,0,0|2,0,0]=3 1392 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,1,0,0,0,0|2,0,0]=3 1393 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,1,0,0,0,0|2,0,0]=3 1394 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,1,0,0,0,0|2,0,0]=3 1395 B12R0.47 C=CCCCC(=O)NCCCCO 240690a_100000750430_100000766728 [0,1,0,0,0,0|3,0,0]=4 1396 B12R0.47 C=CCCCC(=O)NCCCCO 527a_100000750430_100000766728 [0,1,0,0,0,0|3,0,0]=4 1397 B12R0.47 C=CCCCC(=O)NCCCOC 1626a_100150723488_100000766728 [0,1,0,0,0,0|3,0,0]=4 1398 B12R0.47 C=CCCCC(=O)NCCCOC 240690a_100150723488_100000766728 [0,1,0,0,0,0|3,0,0]=4 1399 B12R0.47 C=CCCCC(=O)NCCCOC 527a_100150723488_100000766728 [0,1,0,0,0,0|3,0,0]=4 1400 B12R0.47 C=CCCCC(=O)NCCCSC 11a_100000749238_100000766728 [0,1,0,0,0,0|3,0,0]=4 1401 B12R0.47 C=CCCCC(=O)NCCCSC 1626a_100000749238_100000766728 [0,1,0,0,0,0|3,0,0]=4 1402 B12R0.47 C=CCCCC(=O)NCCCSC 240690a_100000749238_100000766728 [0,1,0,0,0,0|3,0,0]=4 1403 B12R0.47 C=CCCCC(=O)NCCCSC 527a_100000749238_100000766728 [0,1,0,0,0,0|3,0,0]=4 1404 B12R0.47 C=CCCCC(=O)NCCOCC 11a_100011200944_100000766728 [0,1,0,0,0,0|3,0,0]=4 1405 B12R0.47 C=CCCCC(=O)NCCOCC 1626a_102516460346_100000766728 [0,1,0,0,0,0|3,0,0]=4 1406 B12R0.47 C=CCCCC(=O)NCCOCC 240690a_100011200944_100000766728 [0,1,0,0,0,0|3,0,0]=4 1407 B12R0.47 C=CCCCC(=O)NCCOCC 527a_100011200944_100000766728 [0,1,0,0,0,0|3,0,0]=4 1408 B12R0.47 C=CCCCC(=O)NCCSCC 11a_100000106463_100000766728 [0,1,0,0,0,0|3,0,0]=4 1409 B12R0.47 C=CCCCC(=O)NCCSCC 1626a_100000106463_100000766728 [0,1,0,0,0,0|3,0,0]=4 1410 B12R0.47 C=CCCCC(=O)NCCSCC 240690a_100000106463_100000766728 [0,1,0,0,0,0|3,0,0]=4 1411 B12R0.47 C=CCCCC(=O)NCCSCC 527a_100000106463_100000766728 [0,1,0,0,0,0|3,0,0]=4 1412 B12R0.47 C=CCCCC(=O)NNCCCC 22a_100025702795_100000766728 [0,1,0,0,0,0|3,0,0]=4 1413 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100000766728_100011215482 [0,1,0,0,0,0|1,0,2]=4 1414 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100011215552_100000757094 [0,1,0,0,0,0|1,0,2]=4 1415 B12R0.47 C=CCCCCC(=O)CCOC=C 1458a_100011215552_100000039644 [0,1,0,0,0,0|1,0,2]=4 1416 B12R0.47 C=CCCCCC(=O)CSCC=C 1458a_100000230395_100011215482 [0,1,0,0,0,0|0,1,2]=4 1417 B12R0.47 C=CCCCCC(=O)NCCC=C 11a_100015191253_100011215552 [0,1,0,0,0,0|1,0,2]=4 1418 B12R0.47 C=CCCCCC(=O)NCCC=C 1626a_100015191253_100011215552 [0,1,0,0,0,0|1,0,2]=4 1419 B12R0.47 C=CCCCCC(=O)NCCC=C 240690a_100015191253_100011215552 [0,1,0,0,0,0|1,0,2]=4 1420 B12R0.47 C=CCCCCC(=O)NCCC=C 527a_100015191253_100011215552 [0,1,0,0,0,0|1,0,2]=4 1421 B12R0.47 C=CCCCCC(=O)NNCC=C 22a_100020588587_100011215552 [0,1,0,0,0,0|1,0,2]=4 1422 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [0,1,0,0,0,0|3,0,0]=4 1423 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [0,1,0,0,0,0|3,0,0]=4 1424 B12R0.47 C=CCCNC(=O)C/C=C/CCC 11a_100015191253_200016266809 [0,1,0,0,0,0|1,0,2]=4 1425 B12R0.47 C=CCCNC(=O)C/C=C/CCC 1626a_100015191253_200016266809 [0,1,0,0,0,0|1,0,2]=4 1426 B12R0.47 C=CCCNC(=O)C/C=C/CCC 240690a_100015191253_200016266809 [0,1,0,0,0,0|1,0,2]=4 1427 B12R0.47 C=CCCNC(=O)C/C=C/CCC 527a_100015191253_200016266809 [0,1,0,0,0,0|1,0,2]=4 1428 B12R0.47 C=CCCNC(=O)C=CCCCC 11a_100015191253_100016266645 [0,1,0,0,0,0|1,0,2]=4 1429 B12R0.47 C=CCCNC(=O)C=CCCCC 1626a_100015191253_100016266645 [0,1,0,0,0,0|1,0,2]=4 1430 B12R0.47 C=CCCNC(=O)C=CCCCC 240690a_100015191253_100016266645 [0,1,0,0,0,0|1,0,2]=4 1431 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,1,0,0,0,0|1,0,0]=2 1432 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,1,0,0,0,0|1,0,0]=2 1433 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,1,0,0,0,0|1,0,0]=2 1434 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,1,0,0,0,0|1,0,0]=2 1435 B12R0.47 C=CCCNC(=O)CCCCCO 240690a_100015191253_100102619762 [0,1,0,0,0,0|2,0,0]=3 1436 B12R0.47 C=CCCNC(=O)CCOCCO 1626a_100015191253_100011229844 [0,1,0,0,0,0|3,0,0]=4 1437 B12R0.47 C=CCCNC(=O)CCOCCO 240690a_100015191253_100011229844 [0,1,0,0,0,0|3,0,0]=4 1438 B12R0.47 C=CCCNC(=O)COCCCC 11a_100015191253_100000757543 [0,1,0,0,0,0|2,0,0]=3 1439 B12R0.47 C=CCCNC(=O)COCCCC 1626a_100015191253_100000757543 [0,1,0,0,0,0|2,0,0]=3 1440 B12R0.47 C=CCCNC(=O)COCCCC 240690a_100015191253_100000757543 [0,1,0,0,0,0|2,0,0]=3 1441 B12R0.47 C=CCCNC(=O)COCCCC 527a_100015191253_100000757543 [0,1,0,0,0,0|2,0,0]=3 1442 B12R0.47 C=CCCNC(=O)COCCOC 11a_100015191253_100000211095 [0,1,0,0,0,0|3,0,0]=4 1443 B12R0.47 C=CCCNC(=O)COCCOC 1626a_100015191253_100000211095 [0,1,0,0,0,0|3,0,0]=4 1444 B12R0.47 C=CCCNC(=O)COCCOC 240690a_100015191253_100000211095 [0,1,0,0,0,0|3,0,0]=4 1445 B12R0.47 C=CCCNC(=O)COCCOC 527a_100015191253_100000211095 [0,1,0,0,0,0|3,0,0]=4 1446 B12R0.47 C=CCCNC(=O)CSCCCC 11a_100015191253_100000191162 [0,1,0,0,0,0|2,0,0]=3 1447 B12R0.47 C=CCCNC(=O)CSCCCC 1626a_100015191253_100000191162 [0,1,0,0,0,0|2,0,0]=3 1448 B12R0.47 C=CCCNC(=O)CSCCCC 240690a_100015191253_100000191162 [0,1,0,0,0,0|2,0,0]=3 1449 B12R0.47 C=CCCNC(=O)CSCCCC 527a_100015191253_100000191162 [0,1,0,0,0,0|2,0,0]=3 1450 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [0,1,0,0,0,0|2,0,0]=3 1451 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [0,1,0,0,0,0|2,0,0]=3 1452 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [0,1,0,0,0,0|2,0,0]=3 1453 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [0,1,0,0,0,0|2,0,0]=3 1454 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [0,1,0,0,0,0|2,0,0]=3 1455 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [0,1,0,0,0,0|2,0,0]=3 1456 B12R0.47 C=CCCNC(=O)NCCCCO 2708a_100000750430_100015191253 [0,1,0,0,0,0|3,0,0]=4 1457 B12R0.47 C=CCCNC(=O)NCCCCO 2708a_100015191253_100000750430 [0,1,0,0,0,0|3,0,0]=4 1458 B12R0.47 C=CCCNC(=O)NCCCCO 273464a_100000750430_100015191253 [0,1,0,0,0,0|3,0,0]=4 1459 B12R0.47 C=CCCNC(=O)NCCCCO 273464a_100015191253_100000750430 [0,1,0,0,0,0|3,0,0]=4 1460 B12R0.47 C=CCCNC(=O)NCCCCO 512a_100000750430_100015191253 [0,1,0,0,0,0|3,0,0]=4 1461 B12R0.47 C=CCCNC(=O)NCCCCO 512a_100015191253_100000750430 [0,1,0,0,0,0|3,0,0]=4 1462 B12R0.47 C=CCCNC(=O)NCCCOC 2708a_100015191253_100150723488 [0,1,0,0,0,0|3,0,0]=4 1463 B12R0.47 C=CCCNC(=O)NCCCOC 2708a_100150723488_100015191253 [0,1,0,0,0,0|3,0,0]=4 1464 B12R0.47 C=CCCNC(=O)NCCCOC 273464a_100015191253_100150723488 [0,1,0,0,0,0|3,0,0]=4 1465 B12R0.47 C=CCCNC(=O)NCCCOC 273464a_100150723488_100015191253 [0,1,0,0,0,0|3,0,0]=4 1466 B12R0.47 C=CCCNC(=O)NCCCOC 512a_100015191253_100150723488 [0,1,0,0,0,0|3,0,0]=4 1467 B12R0.47 C=CCCNC(=O)NCCCSC 2708a_100000749238_100015191253 [0,1,0,0,0,0|3,0,0]=4 1468 B12R0.47 C=CCCNC(=O)NCCCSC 2708a_100015191253_100000749238 [0,1,0,0,0,0|3,0,0]=4 1469 B12R0.47 C=CCCNC(=O)NCCCSC 273464a_100000749238_100015191253 [0,1,0,0,0,0|3,0,0]=4 1470 B12R0.47 C=CCCNC(=O)NCCCSC 273464a_100015191253_100000749238 [0,1,0,0,0,0|3,0,0]=4 1471 B12R0.47 C=CCCNC(=O)NCCCSC 512a_100000749238_100015191253 [0,1,0,0,0,0|3,0,0]=4 1472 B12R0.47 C=CCCNC(=O)NCCCSC 512a_100015191253_100000749238 [0,1,0,0,0,0|3,0,0]=4 1473 B12R0.47 C=CCCNC(=O)NCCOCC 2708a_100011200944_100015191253 [0,1,0,0,0,0|3,0,0]=4 1474 B12R0.47 C=CCCNC(=O)NCCOCC 2708a_100015191253_100011200944 [0,1,0,0,0,0|3,0,0]=4 1475 B12R0.47 C=CCCNC(=O)NCCOCC 273464a_100015191253_102516460346 [0,1,0,0,0,0|3,0,0]=4 1476 B12R0.47 C=CCCNC(=O)NCCOCC 273464a_102516460346_100015191253 [0,1,0,0,0,0|3,0,0]=4 1477 B12R0.47 C=CCCNC(=O)NCCOCC 512a_100011200944_100015191253 [0,1,0,0,0,0|3,0,0]=4 1478 B12R0.47 C=CCCNC(=O)NCCOCC 512a_100015191253_100011200944 [0,1,0,0,0,0|3,0,0]=4 1479 B12R0.47 C=CCCNC(=O)NCCSCC 2708a_100000106463_100015191253 [0,1,0,0,0,0|3,0,0]=4 1480 B12R0.47 C=CCCNC(=O)NCCSCC 2708a_100015191253_100000106463 [0,1,0,0,0,0|3,0,0]=4 1481 B12R0.47 C=CCCNC(=O)NCCSCC 273464a_100000106463_100015191253 [0,1,0,0,0,0|3,0,0]=4 1482 B12R0.47 C=CCCNC(=O)NCCSCC 273464a_100015191253_100000106463 [0,1,0,0,0,0|3,0,0]=4 1483 B12R0.47 C=CCCNC(=O)NCCSCC 512a_100000106463_100015191253 [0,1,0,0,0,0|3,0,0]=4 1484 B12R0.47 C=CCCNC(=O)NCCSCC 512a_100015191253_100000106463 [0,1,0,0,0,0|3,0,0]=4 1485 B12R0.47 C=CCCNC(=O)NNCCCC 273464a_100015191253_100025702795 [0,1,0,0,0,0|3,0,0]=4 1486 B12R0.47 C=CCCNC(=O)NNCCCC 512a_100015191253_100025702795 [0,1,0,0,0,0|3,0,0]=4 1487 B12R0.47 C=CCCNC(=O)NNCCCC 512a_100025702795_100015191253 [0,1,0,0,0,0|3,0,0]=4 1488 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [0,1,0,0,0,0|2,0,1]=4 1489 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [0,1,0,0,0,0|2,0,1]=4 1490 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [0,1,0,0,0,0|2,0,1]=4 1491 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [0,1,0,0,0,0|2,0,1]=4 1492 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,1,0,0,0,0|1,0,1]=3 1493 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,1,0,0,0,0|1,0,1]=3 1494 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,1,0,0,0,0|1,0,1]=3 1495 B12R0.47 C=CCCOC(C)COCCCC 34a_100011217071_100000754431 [0,1,0,0,0,0|2,0,1]=4 1496 B12R0.47 C=CCCOC(C)COCCCC 7a_100011217071_100000754431 [0,1,0,0,0,0|2,0,1]=4 1497 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [0,1,0,0,0,0|1,1,1]=4 1498 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [0,1,0,0,0,0|1,1,1]=4 1499 B12R0.47 C=CCNCC(=O)NCCCCC 2230a_100020586998_100000230301 [0,1,0,0,0,0|2,0,0]=3 1500 B12R0.47 C=CCNCC(=O)NCCCOC 2230a_100020586998_100000183178 [0,1,0,0,0,0|3,0,0]=4 1501 B12R0.47 C=CCNCC(=O)OCCOCC 2230a_100020586998_200000101388 [0,1,0,0,0,0|3,0,0]=4 1502 B12R0.47 C=CCNNC(=O)C/C=C/CCC 22a_100020588587_200016266809 [0,1,0,0,0,0|1,0,2]=4 1503 B12R0.47 C=CCNNC(=O)C=CCCCC 22a_100020588587_100016266645 [0,1,0,0,0,0|1,0,2]=4 1504 B12R0.47 C=CCNNC(=O)CCCCCC 22a_100020588587_100102632555 [0,1,0,0,0,0|1,0,0]=2 1505 B12R0.47 C=CCNNC(=O)CCCCCO 22a_100020588587_100102619762 [0,1,0,0,0,0|2,0,0]=3 1506 B12R0.47 C=CCNNC(=O)CCOCCO 22a_100020588587_100011229844 [0,1,0,0,0,0|3,0,0]=4 1507 B12R0.47 C=CCNNC(=O)COCCCC 22a_100020588587_100000757543 [0,1,0,0,0,0|2,0,0]=3 1508 B12R0.47 C=CCNNC(=O)COCCOC 22a_100020588587_100000211095 [0,1,0,0,0,0|3,0,0]=4 1509 B12R0.47 C=CCNNC(=O)CSCCCC 22a_100020588587_100000191162 [0,1,0,0,0,0|2,0,0]=3 1510 B12R0.47 C=CCNNC(=O)NCCCCC 273464a_100000209983_100020588587 [0,1,0,0,0,0|2,0,0]=3 1511 B12R0.47 C=CCNNC(=O)NCCCCC 512a_100000209983_100020588587 [0,1,0,0,0,0|2,0,0]=3 1512 B12R0.47 C=CCNNC(=O)NCCCCC 512a_100020588587_100000209983 [0,1,0,0,0,0|2,0,0]=3 1513 B12R0.47 C=CCNNC(=O)NCCCCO 273464a_100000750430_100020588587 [0,1,0,0,0,0|3,0,0]=4 1514 B12R0.47 C=CCNNC(=O)NCCCCO 512a_100000750430_100020588587 [0,1,0,0,0,0|3,0,0]=4 1515 B12R0.47 C=CCNNC(=O)NCCCCO 512a_100020588587_100000750430 [0,1,0,0,0,0|3,0,0]=4 1516 B12R0.47 C=CCNNC(=O)NCCCOC 273464a_100150723488_100020588587 [0,1,0,0,0,0|3,0,0]=4 1517 B12R0.47 C=CCNNC(=O)NCCCOC 512a_100020588587_100150723488 [0,1,0,0,0,0|3,0,0]=4 1518 B12R0.47 C=CCNNC(=O)NCCCSC 273464a_100000749238_100020588587 [0,1,0,0,0,0|3,0,0]=4 1519 B12R0.47 C=CCNNC(=O)NCCCSC 512a_100000749238_100020588587 [0,1,0,0,0,0|3,0,0]=4 1520 B12R0.47 C=CCNNC(=O)NCCCSC 512a_100020588587_100000749238 [0,1,0,0,0,0|3,0,0]=4 1521 B12R0.47 C=CCNNC(=O)NCCOCC 273464a_102516460346_100020588587 [0,1,0,0,0,0|3,0,0]=4 1522 B12R0.47 C=CCNNC(=O)NCCOCC 512a_100011200944_100020588587 [0,1,0,0,0,0|3,0,0]=4 1523 B12R0.47 C=CCNNC(=O)NCCOCC 512a_100020588587_100011200944 [0,1,0,0,0,0|3,0,0]=4 1524 B12R0.47 C=CCNNC(=O)NCCSCC 273464a_100000106463_100020588587 [0,1,0,0,0,0|3,0,0]=4 1525 B12R0.47 C=CCNNC(=O)NCCSCC 512a_100000106463_100020588587 [0,1,0,0,0,0|3,0,0]=4 1526 B12R0.47 C=CCNNC(=O)NCCSCC 512a_100020588587_100000106463 [0,1,0,0,0,0|3,0,0]=4 1527 B12R0.47 C=CCNNC(=O)NNCCCC 512a_100020588587_100025702795 [0,1,0,0,0,0|3,0,0]=4 1528 B12R0.47 C=CCNNC(=O)NNCCCC 512a_100025702795_100020588587 [0,1,0,0,0,0|3,0,0]=4 1529 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [0,1,0,0,0,0|1,0,0]=2 1530 B12R0.47 C=CCOCC(=O)NCCCOC 34a_200000210373_100000183178 [0,1,0,0,0,0|2,0,0]=3 1531 B12R0.47 C=CCOCC(=O)OCCOCC 34a_200000210373_200000101388 [0,1,0,0,0,0|2,0,0]=3 1532 B12R0.47 C=CCSCC(=O)CC/C=C\CC 1458a_100000230395_100015370543 [0,1,0,0,0,0|0,1,2]=4 1533 B12R0.47 C=CCSCC(=O)CCCCC#N 1458a_100000230395_100000211819 [0,1,0,0,0,0|1,1,1]=4 1534 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,1,0,0,0,0|0,1,0]=2 1535 B12R0.47 C=CCSCC(=O)CCCCCF 1458a_100000230395_100000729378 [0,1,0,0,0,0|1,1,0]=3 1536 B12R0.47 C=CCSCC(=O)CCCCCO 1458a_100000230395_100000746330 [0,1,0,0,0,0|1,1,0]=3 1537 B12R0.47 C=CCSCC(=O)CCCCOC 1458a_100000230395_100000755781 [0,1,0,0,0,0|1,1,0]=3 1538 B12R0.47 C=CCSCC(=O)CCCOCC 1458a_100000230395_100012232248 [0,1,0,0,0,0|1,1,0]=3 1539 B12R0.47 C=CCSCC(=O)CCOCCC 1458a_100000230395_100011215938 [0,1,0,0,0,0|1,1,0]=3 1540 B12R0.47 C=CCSCC(=O)CCOCCO 1458a_100000230395_100011215305 [0,1,0,0,0,0|2,1,0]=4 1541 B12R0.47 C=CCSCC(=O)COCCCC 1458a_100000230395_100011995733 [0,1,0,0,0,0|1,1,0]=3 1542 B12R0.47 C=CCSCC(=O)NCCCCC 11a_100000209983_100000230395 [0,1,0,0,0,0|1,1,0]=3 1543 B12R0.47 C=CCSCC(=O)NCCCCC 1626a_100000209983_100000230395 [0,1,0,0,0,0|1,1,0]=3 1544 B12R0.47 C=CCSCC(=O)NCCCCC 240690a_100000209983_100000230395 [0,1,0,0,0,0|1,1,0]=3 1545 B12R0.47 C=CCSCC(=O)NCCCCC 527a_100000209983_100000230395 [0,1,0,0,0,0|1,1,0]=3 1546 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000210623_100000230301 [0,1,0,0,0,0|1,1,0]=3 1547 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000230301_100000210623 [0,1,0,0,0,0|1,1,0]=3 1548 B12R0.47 C=CCSCC(=O)NCCCCO 240690a_100000750430_100000230395 [0,1,0,0,0,0|2,1,0]=4 1549 B12R0.47 C=CCSCC(=O)NCCCCO 527a_100000750430_100000230395 [0,1,0,0,0,0|2,1,0]=4 1550 B12R0.47 C=CCSCC(=O)NCCCOC 1626a_100150723488_100000230395 [0,1,0,0,0,0|2,1,0]=4 1551 B12R0.47 C=CCSCC(=O)NCCCOC 240690a_100150723488_100000230395 [0,1,0,0,0,0|2,1,0]=4 1552 B12R0.47 C=CCSCC(=O)NCCCOC 527a_100150723488_100000230395 [0,1,0,0,0,0|2,1,0]=4 1553 B12R0.47 C=CCSCC(=O)NCCCOC 62a_100000183178_100000210623 [0,1,0,0,0,0|2,1,0]=4 1554 B12R0.47 C=CCSCC(=O)NCCCSC 11a_100000749238_100000230395 [0,1,0,0,0,0|2,1,0]=4 1555 B12R0.47 C=CCSCC(=O)NCCCSC 1626a_100000749238_100000230395 [0,1,0,0,0,0|2,1,0]=4 1556 B12R0.47 C=CCSCC(=O)NCCCSC 240690a_100000749238_100000230395 [0,1,0,0,0,0|2,1,0]=4 1557 B12R0.47 C=CCSCC(=O)NCCCSC 527a_100000749238_100000230395 [0,1,0,0,0,0|2,1,0]=4 1558 B12R0.47 C=CCSCC(=O)NCCOCC 11a_100011200944_100000230395 [0,1,0,0,0,0|2,1,0]=4 1559 B12R0.47 C=CCSCC(=O)NCCOCC 1626a_102516460346_100000230395 [0,1,0,0,0,0|2,1,0]=4 1560 B12R0.47 C=CCSCC(=O)NCCOCC 240690a_100011200944_100000230395 [0,1,0,0,0,0|2,1,0]=4 1561 B12R0.47 C=CCSCC(=O)NCCOCC 527a_100011200944_100000230395 [0,1,0,0,0,0|2,1,0]=4 1562 B12R0.47 C=CCSCC(=O)NCCSCC 11a_100000106463_100000230395 [0,1,0,0,0,0|2,1,0]=4 1563 B12R0.47 C=CCSCC(=O)NCCSCC 1626a_100000106463_100000230395 [0,1,0,0,0,0|2,1,0]=4 1564 B12R0.47 C=CCSCC(=O)NCCSCC 240690a_100000106463_100000230395 [0,1,0,0,0,0|2,1,0]=4 1565 B12R0.47 C=CCSCC(=O)NCCSCC 527a_100000106463_100000230395 [0,1,0,0,0,0|2,1,0]=4 1566 B12R0.47 C=CCSCC(=O)NNCCCC 22a_100025702795_100000230395 [0,1,0,0,0,0|2,1,0]=4 1567 B12R0.47 C=CCSCC(=O)OCCOCC 62a_100000210623_200000101388 [0,1,0,0,0,0|2,1,0]=4 1568 B12R0.47 C=CCSCC(=O)OCCOCC 62a_200000101388_100000210623 [0,1,0,0,0,0|2,1,0]=4 1569 B12R0.47 C=COCCC(=O)C/C=C/CCC 1458a_200016266809_100000039644 [0,1,0,0,0,0|1,0,2]=4 1570 B12R0.47 C=COCCC(=O)C=CCCCC 1458a_100016266645_100000039644 [0,1,0,0,0,0|1,0,2]=4 1571 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,1,0,0,0,0|1,0,0]=2 1572 B12R0.47 C=COCCC(=O)CCCCCO 1458a_100102619762_100000039644 [0,1,0,0,0,0|2,0,0]=3 1573 B12R0.47 C=COCCC(=O)CCOCCO 1458a_100011229844_100000039644 [0,1,0,0,0,0|3,0,0]=4 1574 B12R0.47 C=COCCC(=O)COCCCC 1458a_100000757543_100000039644 [0,1,0,0,0,0|2,0,0]=3 1575 B12R0.47 C=COCCC(=O)COCCOC 1458a_100000211095_100000039644 [0,1,0,0,0,0|3,0,0]=4 1576 B12R0.47 C=COCCC(=O)CSCCCC 1458a_100000191162_100000039644 [0,1,0,0,0,0|2,0,0]=3 1577 B12R0.47 C=COCCN(C)CCCCCC 2230a_106256046315_100000039644 [0,1,0,0,0,0|3,0,0]=4 1578 B12R0.47 C=COCCN(C)CCCCCC 269982a_106256046315_100000039644 [0,1,0,0,0,0|3,0,0]=4 1579 B12R0.47 CC#CCNC(=O)CCCCCC 11a_100000685387_100102632555 [0,1,0,0,0,0|1,0,2]=4 1580 B12R0.47 CC#CCNC(=O)CCCCCC 1626a_100000685387_100102632555 [0,1,0,0,0,0|1,0,2]=4 1581 B12R0.47 CC#CCNC(=O)CCCCCC 527a_100000685387_100102632555 [0,1,0,0,0,0|1,0,2]=4 1582 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,1,0,0,0,0|1,0,2]=4 1583 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,1,0,0,0,0|1,0,2]=4 1584 B12R0.47 CC=CCNC(C)CCCCCC 2230a_100000210919_100000070051 [0,1,0,0,0,0|2,0,1]=4 1585 B12R0.47 CC=CCNC(C)CCCCCC 34a_100000210919_100000070051 [0,1,0,0,0,0|2,0,1]=4 1586 B12R0.47 CC=CCOC(C)CCCCCC 34a_100000210265_100000070051 [0,1,0,0,0,0|1,0,1]=3 1587 B12R0.47 CC=CCOC(C)CCCCCC 7a_100000210265_100000070051 [0,1,0,0,0,0|1,0,1]=3 1588 B12R0.47 CC=CCOC(C)COCCCC 34a_100011217071_100000070051 [0,1,0,0,0,0|2,0,1]=4 1589 B12R0.47 CC=CCOC(C)COCCCC 7a_100011217071_100000070051 [0,1,0,0,0,0|2,0,1]=4 1590 B12R0.47 CC=CCSC(C)CCCCCC 62a_100000070051_100011215978 [0,1,0,0,0,0|1,1,1]=4 1591 B12R0.47 CC=CCSC(C)CCCCCC 62a_100011215978_100000070051 [0,1,0,0,0,0|1,1,1]=4 1592 B12R0.47 CCC=NNC(=O)CCCCCC 4a_100011221127_100000210100 [0,1,0,0,0,0|2,0,1]=4 1593 B12R0.47 CCCC#CC(=O)CCCCCC 1458a_200011218047_100000210757 [0,1,0,0,0,0|1,0,2]=4 1594 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,1,0,0,0,0|1,0,2]=4 1595 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,1,0,0,0,0|1,0,2]=4 1597 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,1,0,0,0,0|1,0,2]=4 1598 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,1,0,0,0,0|1,0,2]=4 1599 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,1,0,0,0,0|1,0,2]=4 1600 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,1,0,0,0,0|1,0,2]=4 1601 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,1,0,0,0,0|1,0,2]=4 1602 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,1,0,0,0,0|1,0,2]=4 1603 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,1,0,0,0,0|1,0,2]=4 1604 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,1,0,0,0,0|1,0,2]=4 1605 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,1,0,0,0,0|1,0,2]=4 1606 B12R0.47 CCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210757 [0,1,0,0,0,0|3,0,0]=4 1607 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,1,0,0,0,0|1,0,2]=4 1608 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,1,0,0,0,0|1,0,2]=4 1609 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,1,0,0,0,0|1,0,2]=4 1610 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,1,0,0,0,0|1,0,2]=4 1611 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,1,0,0,0,0|0,0,2]=3 1612 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,1,0,0,0,0|1,0,1]=3 1613 B12R0.47 CCCCCCC(=O)CSCC#N 1458a_100000150266_100000210757 [0,1,0,0,0,0|1,1,1]=4 1614 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,1,0,0,0,0|0,1,2]=4 1615 B12R0.47 CCCCCCC(=O)NCCC#N 11a_100000720768_100102632555 [0,1,0,0,0,0|1,0,2]=4 1616 B12R0.47 CCCCCCC(=O)NCCC#N 1626a_100000720768_100102632555 [0,1,0,0,0,0|1,0,2]=4 1617 B12R0.47 CCCCCCC(=O)NCCC#N 240690a_100000720768_100102632555 [0,1,0,0,0,0|1,0,2]=4 1618 B12R0.47 CCCCCCC(=O)NCCC#N 527a_100000720768_100102632555 [0,1,0,0,0,0|1,0,2]=4 1619 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,1,0,0,0,0|1,0,2]=4 1620 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,1,0,0,0,0|1,0,2]=4 1621 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,1,0,0,0,0|1,0,2]=4 1622 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,1,0,0,0,0|1,0,2]=4 1623 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,1,0,0,0,0|1,0,2]=4 1624 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,1,0,0,0,0|1,0,2]=4 1625 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,1,0,0,0,0|1,0,2]=4 1626 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,1,0,0,0,0|1,0,2]=4 1627 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,1,0,0,0,0|1,0,2]=4 1628 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,1,0,0,0,0|1,0,2]=4 1629 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,1,0,0,0,0|1,0,2]=4 1630 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,1,0,0,0,0|1,0,2]=4 1631 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,1,0,0,0,0|1,0,2]=4 1632 B12R0.47 CCCCCCC(=O)NCCSC 11a_100020590264_100102632555 [0,1,0,0,0,0|1,0,2]=4 1633 B12R0.47 CCCCCCC(=O)NCCSC 1626a_100020590264_100102632555 [0,1,0,0,0,0|1,0,2]=4 1634 B12R0.47 CCCCCCC(=O)NCCSC 240690a_100020590264_100102632555 [0,1,0,0,0,0|1,0,2]=4 1635 B12R0.47 CCCCCCC(=O)NCCSC 527a_100020590264_100102632555 [0,1,0,0,0,0|1,0,2]=4 1636 B12R0.47 CCCCCCC(=O)NNCCC 22a_100000740057_100102632555 [0,1,0,0,0,0|1,0,2]=4 1637 B12R0.47 CCCCCCC(=O)NNCCO 22a_100000210001_100102632555 [0,1,0,0,0,0|2,0,1]=4 1638 B12R0.47 CCCCCNC(=O)COCCBr 34a_100000211926_100000230301 [0,1,0,0,0,0|2,0,1]=4 1639 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,1,0,0,0,0|1,0,2]=4 1640 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,1,0,0,0,0|1,0,2]=4 1641 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,1,0,0,0,0|1,0,2]=4 1642 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,1,0,0,0,0|1,0,2]=4 1643 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,1,0,0,0,0|1,0,2]=4 1644 B12R0.47 CCCCCNC(=O)COCCN 34a_100000210304_100000230301 [0,1,0,0,0,0|2,0,1]=4 1645 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,1,0,0,0,0|2,0,1]=4 1646 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,1,0,0,0,0|2,0,1]=4 1647 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [0,1,0,0,0,0|2,1,0]=4 1648 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [0,1,0,0,0,0|2,1,0]=4 1649 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,1,0,0,0,0|1,0,2]=4 1650 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,1,0,0,0,0|1,0,2]=4 1651 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,1,0,0,0,0|1,0,2]=4 1652 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,1,0,0,0,0|1,0,2]=4 1653 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,1,0,0,0,0|1,0,2]=4 1654 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,1,0,0,0,0|1,0,2]=4 1655 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,1,0,0,0,0|1,0,2]=4 1656 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,1,0,0,0,0|2,0,1]=4 1657 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,1,0,0,0,0|1,0,2]=4 1658 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,1,0,0,0,0|1,0,2]=4 1659 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,1,0,0,0,0|1,0,2]=4 1660 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,1,0,0,0,0|1,0,2]=4 1661 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,1,0,0,0,0|1,0,2]=4 1662 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,1,0,0,0,0|1,0,2]=4 1663 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,1,0,0,0,0|1,0,2]=4 1664 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,1,0,0,0,0|1,0,2]=4 1665 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,1,0,0,0,0|1,0,2]=4 1666 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,1,0,0,0,0|1,0,2]=4 1667 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,1,0,0,0,0|1,0,2]=4 1668 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,1,0,0,0,0|2,0,1]=4 1669 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,1,0,0,0,0|2,0,1]=4 1670 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,1,0,0,0,0|2,0,1]=4 1671 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,1,0,0,0,0|2,0,1]=4 1672 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,1,0,0,0,0|2,0,1]=4 1673 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100000692101_100011216152 [0,1,0,0,0,0|1,0,2]=4 1674 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100011933920_100000753159 [0,1,0,0,0,0|1,0,2]=4 1675 B12R0.95 C#CCNC(=O)CCCCC(C)C 11a_100000212058_100011933920 [0,1,0,0,0,0|1,0,2]=4 1676 B12R0.95 C#CCNC(=O)CCCCC(C)C 1626a_100000212058_100011933920 [0,1,0,0,0,0|1,0,2]=4 1677 B12R0.95 C#CCNC(=O)CCCCC(C)C 240690a_100000212058_100011933920 [0,1,0,0,0,0|1,0,2]=4 1678 B12R0.95 C#CCNC(=O)CCCCC(C)C 527a_100000212058_100011933920 [0,1,0,0,0,0|1,0,2]=4 1679 B12R0.95 C/C=C/CC(=O)CCCCC(C)C 1458a_100011933920_100102629194 [0,1,0,0,0,0|1,0,2]=4 1680 B12R0.95 C=CC=CC(=O)CCCCC(=O)C 1458a_100016291481_100000735457 [0,1,0,0,0,0|1,0,2]=4 1681 B12R0.95 C=CC=CC(=O)CCCCC(C)C 1458a_100016291481_100011216152 [0,1,0,0,0,0|1,0,1]=3 1682 B12R0.95 C=CC=CC(=O)NCCCC(C)C 1626a_200000737386_100016291481 [0,1,0,0,0,0|2,0,1]=4 1683 B12R0.95 C=CCCC(=O)CCCCB(O)O 1458a_100000749702_200009817182 [0,1,0,0,0,0|3,0,0]=4 1684 B12R0.95 C=CCCC(=O)CCCCC(=O)C 1458a_100000749702_100000735457 [0,1,0,0,0,0|1,0,1]=3 1685 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100000749702_100011216152 [0,1,0,0,0,0|1,0,0]=2 1686 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100011933920_100000754431 [0,1,0,0,0,0|1,0,0]=2 1687 B12R0.95 C=CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000754431 [0,1,0,0,0,0|2,0,1]=4 1688 B12R0.95 C=CCCC(=O)CCCOC(=O)C 1458a_100000749702_100000042594 [0,1,0,0,0,0|2,0,1]=4 1689 B12R0.95 C=CCCC(=O)CCCOC(=S)C 1458a_100000749702_200135323944 [0,1,0,0,0,0|2,0,1]=4 1690 B12R0.95 C=CCCC(=O)CCCSC(=O)C 1458a_100000749702_100000038929 [0,1,0,0,0,0|2,0,1]=4 1691 B12R0.95 C=CCCC(=O)CCOCC(F)F 1458a_100000749702_200012177212 [0,1,0,0,0,0|3,0,0]=4 1692 B12R0.95 C=CCCC(=O)NCCCC(C)C 11a_200000737386_100000749702 [0,1,0,0,0,0|2,0,0]=3 1693 B12R0.95 C=CCCC(=O)NCCCC(C)C 1626a_200000737386_100000749702 [0,1,0,0,0,0|2,0,0]=3 1694 B12R0.95 C=CCCC(=O)NCCCC(C)C 240690a_200000737386_100000749702 [0,1,0,0,0,0|2,0,0]=3 1695 B12R0.95 C=CCCC(=O)NCCCC(C)C 527a_200000737386_100000749702 [0,1,0,0,0,0|2,0,0]=3 1696 B12R0.95 C=CCCC(=O)NCCCN(C)C 240690a_102531767803_100000749702 [0,1,0,0,0,0|3,0,0]=4 1697 B12R0.95 C=CCCC(=O)NCCCN(C)C 527a_102531767803_100000749702 [0,1,0,0,0,0|3,0,0]=4 1698 B12R0.95 C=CCCC(=O)NCCCS(=O)C 11a_200000753449_100000749702 [0,1,0,0,0,0|3,0,0]=4 1699 B12R0.95 C=CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000749702 [0,1,0,0,0,0|3,0,0]=4 1700 B12R0.95 C=CCCC(=O)NCCCS(=O)C 527a_200000753449_100000749702 [0,1,0,0,0,0|3,0,0]=4 1701 B12R0.95 C=CCCC(=O)NCCOC(C)C 11a_100000701111_100000749702 [0,1,0,0,0,0|3,0,0]=4 1702 B12R0.95 C=CCCC(=O)NCCOC(C)C 1626a_100000701111_100000749702 [0,1,0,0,0,0|3,0,0]=4 1703 B12R0.95 C=CCCC(=O)NCCOC(C)C 240690a_100000701111_100000749702 [0,1,0,0,0,0|3,0,0]=4 1704 B12R0.95 C=CCCC(=O)NCCOC(C)C 527a_100000701111_100000749702 [0,1,0,0,0,0|3,0,0]=4 1705 B12R0.95 C=CCCC(=O)NCCSC(C)C 11a_100000731138_100000749702 [0,1,0,0,0,0|3,0,0]=4 1706 B12R0.95 C=CCCC(=O)NCCSC(C)C 1626a_100000731138_100000749702 [0,1,0,0,0,0|3,0,0]=4 1707 B12R0.95 C=CCCC(=O)NCCSC(C)C 240690a_100000731138_100000749702 [0,1,0,0,0,0|3,0,0]=4 1708 B12R0.95 C=CCCC(=O)NCCSC(C)C 527a_100000731138_100000749702 [0,1,0,0,0,0|3,0,0]=4 1709 B12R0.95 C=CCCN(C)CCCCC(C)C 2230a_100020639649_100011216152 [0,1,0,0,0,0|3,0,0]=4 1710 B12R0.95 C=CCCN(C)CCCCC(C)C 269982a_100020639649_100011216152 [0,1,0,0,0,0|3,0,0]=4 1711 B12R0.95 C=CCNC(=O)CCCCC(C)C 1626a_100020586998_100011933920 [0,1,0,0,0,0|1,0,0]=2 1712 B12R0.95 C=CCNC(=O)CCCCC(C)C 240690a_100020586998_100011933920 [0,1,0,0,0,0|1,0,0]=2 1713 B12R0.95 C=CCNC(=O)CCCCC(C)C 527a_100020586998_100011933920 [0,1,0,0,0,0|1,0,0]=2 1714 B12R0.95 C=CCNC(=O)CCCCN(C)C 240690a_100020586998_100000751710 [0,1,0,0,0,0|2,0,0]=3 1715 B12R0.95 C=CCNC(=O)CCCCN(C)C 527a_100020586998_100000751710 [0,1,0,0,0,0|2,0,0]=3 1716 B12R0.95 C=CCNC(=O)CCCNC(=O)C 1626a_100020586998_100000194741 [0,1,0,0,0,0|2,0,1]=4 1717 B12R0.95 C=CCNC(=O)CCCNC(=O)C 240690a_100020586998_100000194741 [0,1,0,0,0,0|2,0,1]=4 1718 B12R0.95 C=CCNC(=O)CCCNC(=O)C 527a_100020586998_100000194741 [0,1,0,0,0,0|2,0,1]=4 1719 B12R0.95 C=CCNC(=O)CCNCC(C)C 2230a_100000210953_100011222895 [0,1,0,0,0,0|2,0,0]=3 1720 B12R0.95 C=CCNC(=O)CCNCC(C)O 2230a_100000210904_100011222895 [0,1,0,0,0,0|2,0,0]=3 1721 B12R0.95 C=CCNC(=O)CCSCC(=C)C 62a_100000748629_100011222895 [0,1,0,0,0,0|2,0,1]=4 1722 B12R0.95 C=CCNC(=O)CCSCC(=C)C 62a_100011222895_100000211660 [0,1,0,0,0,0|2,0,1]=4 1723 B12R0.95 C=CCNC(=O)CCSCC(C)C 62a_100000210624_100011222895 [0,1,0,0,0,0|2,0,0]=3 1724 B12R0.95 C=CCNC(=O)CCSCC(C)C 62a_100011222895_100000210760 [0,1,0,0,0,0|2,0,0]=3 1725 B12R0.95 C=CCNC(=O)CCSCC(C)O 62a_100011218427_100011222895 [0,1,0,0,0,0|2,0,0]=3 1726 B12R0.95 C=CCNC(=O)CCSCC(C)O 62a_100011222895_100011218427 [0,1,0,0,0,0|2,0,0]=3 1727 B12R0.95 C=CCNC(=O)CCSCC(F)F 62a_100011222895_100011934356 [0,1,0,0,0,0|3,0,0]=4 1728 B12R0.95 C=CCNC(=O)CCSCC(F)F 62a_100011934356_100011222895 [0,1,0,0,0,0|3,0,0]=4 1729 B12R0.95 C=CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100011222895 [0,1,0,0,0,0|2,0,0]=3 1730 B12R0.95 C=CCNC(=O)CCSC[C@@H](C)O 62a_100011222895_100009817552 [0,1,0,0,0,0|2,0,0]=3 1731 B12R0.95 C=CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183597 [0,1,0,0,0,0|2,0,0]=3 1732 B12R0.95 C=CCNC(=O)COCCC(=O)C 7a_100000759926_100000183597 [0,1,0,0,0,0|2,0,1]=4 1733 B12R0.95 C=CCNC(=O)COCCC(C)C 7a_100000210254_100000183597 [0,1,0,0,0,0|2,0,0]=3 1734 B12R0.95 C=CCNC(=O)CSCCC(=C)C 62a_100000183597_100000730704 [0,1,0,0,0,0|2,0,1]=4 1735 B12R0.95 C=CCNC(=O)CSCCC(=C)C 62a_100000730704_100000183597 [0,1,0,0,0,0|2,0,1]=4 1736 B12R0.95 C=CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183597 [0,1,0,0,0,0|2,0,1]=4 1737 B12R0.95 C=CCNC(=O)CSCCC(=O)C 62a_100000183597_100000053229 [0,1,0,0,0,0|2,0,1]=4 1738 B12R0.95 C=CCNC(=O)CSCCC(C)C 62a_100000183597_100000210312 [0,1,0,0,0,0|2,0,0]=3 1739 B12R0.95 C=CCNC(=O)CSCCC(C)C 62a_100000210312_100000183597 [0,1,0,0,0,0|2,0,0]=3 1740 B12R0.95 C=CCNC(=O)CSCCC(C)O 62a_100000183597_100012276601 [0,1,0,0,0,0|2,0,0]=3 1741 B12R0.95 C=CCNC(=O)CSCCC(C)O 62a_100012276601_100000183597 [0,1,0,0,0,0|2,0,0]=3 1742 B12R0.95 C=CCNC(=O)CSCCN(C)C 62a_100000183597_100000755713 [0,1,0,0,0,0|3,0,0]=4 1743 B12R0.95 C=CCNC(=O)CSCOC(C)C 62a_100000183597_100000709892 [0,1,0,0,0,0|3,0,0]=4 1744 B12R0.95 C=CCNC(=O)CSCOC(C)C 62a_100000709892_100000183597 [0,1,0,0,0,0|3,0,0]=4 1745 B12R0.95 C=CCNC(=O)NCCCC(C)C 2708a_200000737386_100020586998 [0,1,0,0,0,0|2,0,0]=3 1746 B12R0.95 C=CCNC(=O)NCCCC(C)C 273464a_100020586998_200000737386 [0,1,0,0,0,0|2,0,0]=3 1747 B12R0.95 C=CCNC(=O)NCCCC(C)C 273464a_200000737386_100020586998 [0,1,0,0,0,0|2,0,0]=3 1748 B12R0.95 C=CCNC(=O)NCCCC(C)C 512a_100020586998_200000737386 [0,1,0,0,0,0|2,0,0]=3 1749 B12R0.95 C=CCNC(=O)NCCCC(C)C 512a_200000737386_100020586998 [0,1,0,0,0,0|2,0,0]=3 1750 B12R0.95 C=CCNC(=O)NCCCN(C)C 273464a_100020586998_102531767803 [0,1,0,0,0,0|3,0,0]=4 1751 B12R0.95 C=CCNC(=O)NCCCN(C)C 273464a_102531767803_100020586998 [0,1,0,0,0,0|3,0,0]=4 1752 B12R0.95 C=CCNC(=O)NCCCN(C)C 512a_100020586998_102531767803 [0,1,0,0,0,0|3,0,0]=4 1753 B12R0.95 C=CCNC(=O)NCCCN(C)C 512a_102531767803_100020586998 [0,1,0,0,0,0|3,0,0]=4 1754 B12R0.95 C=CCNC(=O)NCCCS(=O)C 2708a_200000753449_100020586998 [0,1,0,0,0,0|3,0,0]=4 1755 B12R0.95 C=CCNC(=O)NCCCS(=O)C 273464a_100020586998_200000753449 [0,1,0,0,0,0|3,0,0]=4 1756 B12R0.95 C=CCNC(=O)NCCCS(=O)C 273464a_200000753449_100020586998 [0,1,0,0,0,0|3,0,0]=4 1757 B12R0.95 C=CCNC(=O)NCCCS(=O)C 512a_100020586998_200000753449 [0,1,0,0,0,0|3,0,0]=4 1758 B12R0.95 C=CCNC(=O)NCCCS(=O)C 512a_200000753449_100020586998 [0,1,0,0,0,0|3,0,0]=4 1759 B12R0.95 C=CCNC(=O)NCCOC(C)C 2708a_100000701111_100020586998 [0,1,0,0,0,0|3,0,0]=4 1760 B12R0.95 C=CCNC(=O)NCCOC(C)C 273464a_100000701111_100020586998 [0,1,0,0,0,0|3,0,0]=4 1761 B12R0.95 C=CCNC(=O)NCCOC(C)C 273464a_100020586998_100000701111 [0,1,0,0,0,0|3,0,0]=4 1762 B12R0.95 C=CCNC(=O)NCCOC(C)C 512a_100000701111_100020586998 [0,1,0,0,0,0|3,0,0]=4 1763 B12R0.95 C=CCNC(=O)NCCOC(C)C 512a_100020586998_100000701111 [0,1,0,0,0,0|3,0,0]=4 1764 B12R0.95 C=CCNC(=O)NCCSC(C)C 2708a_100000731138_100020586998 [0,1,0,0,0,0|3,0,0]=4 1765 B12R0.95 C=CCNC(=O)NCCSC(C)C 273464a_100000731138_100020586998 [0,1,0,0,0,0|3,0,0]=4 1766 B12R0.95 C=CCNC(=O)NCCSC(C)C 273464a_100020586998_100000731138 [0,1,0,0,0,0|3,0,0]=4 1767 B12R0.95 C=CCNC(=O)NCCSC(C)C 512a_100000731138_100020586998 [0,1,0,0,0,0|3,0,0]=4 1768 B12R0.95 C=CCNC(=O)NCCSC(C)C 512a_100020586998_100000731138 [0,1,0,0,0,0|3,0,0]=4 1769 B12R0.95 C=CCOC(=O)CNCC=C(C)C 34a_100000718196_100000033060 [0,1,0,0,0,0|1,0,2]=4 1770 B12R0.95 C=CCOC(=O)CNCCC(C)O 2230a_200000755665_100000033060 [0,1,0,0,0,0|1,0,0]=2 1771 B12R0.95 C=CCOC(=O)COCC=C(C)C 34a_100000753907_100000033060 [0,1,0,0,0,0|1,0,2]=4 1772 B12R0.95 C=CCOC(=O)COCCC(=C)Br 34a_100009813270_100000033060 [0,1,0,0,0,0|1,0,2]=4 1773 B12R0.95 C=CCOC(=O)COCCC(=C)C 34a_100000764851_100000033060 [0,1,0,0,0,0|1,0,1]=3 1774 B12R0.95 C=CCOC(=O)COCCC(=O)C 34a_100000759926_100000033060 [0,1,0,0,0,0|1,0,1]=3 1775 B12R0.95 C=CCOC(=O)COCCC(=O)C 7a_100000759926_100000033060 [0,1,0,0,0,0|1,0,1]=3 1776 B12R0.95 C=CCOC(=O)COCCC(=O)N 34a_100000757172_100000033060 [0,1,0,0,0,0|2,0,1]=4 1777 B12R0.95 C=CCOC(=O)COCCC(=O)N 7a_100000757172_100000033060 [0,1,0,0,0,0|2,0,1]=4 1778 B12R0.95 C=CCOC(=O)COCCC(C)Br 34a_100009893172_100000033060 [0,1,0,0,0,0|1,0,0]=2 1779 B12R0.95 C=CCOC(=O)COCCC(C)C 34a_100000210254_100000033060 [0,1,0,0,0,0|1,0,0]=2 1780 B12R0.95 C=CCOC(=O)COCCC(C)C 7a_100000210254_100000033060 [0,1,0,0,0,0|1,0,0]=2 1781 B12R0.95 C=CCOC(=O)COCCC(F)F 34a_100103093639_100000033060 [0,1,0,0,0,0|2,0,0]=3 1782 B12R0.95 C=CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000033060 [0,1,0,0,0,0|1,0,0]=2 1783 B12R0.95 C=CCOC(=O)CSCC=C(C)C 62a_100000033060_100000761012 [0,1,0,0,0,0|1,0,2]=4 1784 B12R0.95 C=CCOC(=O)CSCC=C(C)C 62a_100000761012_100000033060 [0,1,0,0,0,0|1,0,2]=4 1785 B12R0.95 C=CCOC(=O)CSCCC(=C)C 62a_100000033060_100000730704 [0,1,0,0,0,0|1,0,1]=3 1786 B12R0.95 C=CCOC(=O)CSCCC(=C)C 62a_100000730704_100000033060 [0,1,0,0,0,0|1,0,1]=3 1787 B12R0.95 C=CCOC(=O)CSCCC(=O)C 62a_100000033060_100000053229 [0,1,0,0,0,0|1,0,1]=3 1788 B12R0.95 C=CCOC(=O)CSCCC(=O)C 62a_100000053229_100000033060 [0,1,0,0,0,0|1,0,1]=3 1789 B12R0.95 C=CCOC(=O)CSCCC(=O)N 62a_100000033060_100000744528 [0,1,0,0,0,0|2,0,1]=4 1790 B12R0.95 C=CCOC(=O)CSCCC(=O)N 62a_100000744528_100000033060 [0,1,0,0,0,0|2,0,1]=4 1791 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000033060_100000210312 [0,1,0,0,0,0|1,0,0]=2 1792 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000210312_100000033060 [0,1,0,0,0,0|1,0,0]=2 1793 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100000033060_100012276601 [0,1,0,0,0,0|1,0,0]=2 1794 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100012276601_100000033060 [0,1,0,0,0,0|1,0,0]=2 1795 B12R0.95 C=CCOC(=O)CSCCN(C)C 62a_100000033060_100000755713 [0,1,0,0,0,0|2,0,0]=3 1796 B12R0.95 C=CCOC(=O)CSCOC(=O)C 62a_100000033060_100000076356 [0,1,0,0,0,0|2,0,1]=4 1797 B12R0.95 C=CCOC(=O)CSCOC(=O)C 62a_100000076356_100000033060 [0,1,0,0,0,0|2,0,1]=4 1798 B12R0.95 C=CCOC(=O)CSCOC(C)C 62a_100000033060_100000709892 [0,1,0,0,0,0|2,0,0]=3 1799 B12R0.95 C=CCOC(=O)CSCOC(C)C 62a_100000709892_100000033060 [0,1,0,0,0,0|2,0,0]=3 1800 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011933920_100011215226 [0,1,0,0,0,0|2,0,1]=4 1801 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011934036_100011216152 [0,1,0,0,0,0|2,0,1]=4 1802 B12R0.95 CC(C)CCCCC(=O)CCCF 1458a_100011933920_100011934791 [0,1,0,0,0,0|2,0,1]=4 1803 B12R0.95 CC(C)CCCCC(=O)CCCO 1458a_100011933920_100011215043 [0,1,0,0,0,0|2,0,1]=4 1804 B12R0.95 CC(C)CCCCC(=O)NCC#N 1626a_100000734998_100011933920 [0,1,0,0,0,0|2,0,1]=4 1805 B12R0.95 CC(C)CCCCC(=O)NCC#N 527a_100000734998_100011933920 [0,1,0,0,0,0|2,0,1]=4 1806 B12R0.95 CC(C)CCCCC(=O)NCCF 11a_100000724931_100011933920 [0,1,0,0,0,0|2,0,1]=4 1807 B12R0.95 CC(C)CCCCC(=O)NCCF 1626a_100000724931_100011933920 [0,1,0,0,0,0|2,0,1]=4 1808 B12R0.95 CC(C)CCCCC(=O)NCCF 240690a_100000724931_100011933920 [0,1,0,0,0,0|2,0,1]=4 1809 B12R0.95 CC(C)CCCCC(=O)NCCF 527a_100000724931_100011933920 [0,1,0,0,0,0|2,0,1]=4 1810 B12R0.95 CC(C)CCCCC(=O)NCCO 240690a_100000210304_100011933920 [0,1,0,0,0,0|2,0,1]=4 1811 B12R0.95 CC(C)CCCCC(=O)NCCO 527a_100000210304_100011933920 [0,1,0,0,0,0|2,0,1]=4 1812 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100011933920_100000070051 [0,1,0,0,0,0|1,0,2]=4 1813 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100121576822_100011216152 [0,1,0,0,0,0|1,0,2]=4 1814 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,1,0,0,0,0|1,0,2]=4 1815 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,1,0,0,0,0|1,0,2]=4 1816 B12R0.95 CCCNC(=O)CCCCC(C)C 11a_100020643023_100011933920 [0,1,0,0,0,0|1,0,2]=4 1817 B12R0.95 CCCNC(=O)CCCCC(C)C 1626a_100020643023_100011933920 [0,1,0,0,0,0|1,0,2]=4 1818 B12R0.95 CCCNC(=O)CCCCC(C)C 240690a_100020643023_100011933920 [0,1,0,0,0,0|1,0,2]=4 1819 B12R0.95 CCCNC(=O)CCCCC(C)C 527a_100020643023_100011933920 [0,1,0,0,0,0|1,0,2]=4 1820 B12R0.95 CCCOC(=O)CNCCC(C)O 2230a_200000755665_200011215008 [0,1,0,0,0,0|1,0,2]=4 1821 B12R0.95 CCCOC(=O)COCCC(C)Br 34a_100009893172_200011215008 [0,1,0,0,0,0|1,0,2]=4 1822 B12R0.95 CCCOC(=O)COCCC(C)C 34a_100000210254_200011215008 [0,1,0,0,0,0|1,0,2]=4 1823 B12R0.95 CCCOC(=O)COCCC(C)C 7a_100000210254_200011215008 [0,1,0,0,0,0|1,0,2]=4 1824 B12R0.95 CCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200011215008 [0,1,0,0,0,0|1,0,2]=4 1825 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_100000210312_200011215008 [0,1,0,0,0,0|1,0,2]=4 1826 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_200011215008_100000210312 [0,1,0,0,0,0|1,0,2]=4 1827 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_100012276601_200011215008 [0,1,0,0,0,0|1,0,2]=4 1828 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_200011215008_100012276601 [0,1,0,0,0,0|1,0,2]=4 1829 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100000749529_100011216152 [0,1,0,0,0,0|2,0,1]=4 1830 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100011933920_100000233755 [0,1,0,0,0,0|2,0,1]=4 1831 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100000174002_100011216152 [0,1,0,0,0,0|2,0,1]=4 1832 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100011933920_100000751147 [0,1,0,0,0,0|2,0,1]=4 1833 B12R0.101 C#CCC(C)OCC(=O)OCC=C 34a_100000685586_100000033060 [0,1,0,0,0,0|1,0,2]=4 1834 B12R0.101 C#CCC(C)OCC(=O)OCC=C 7a_100000685586_100000033060 [0,1,0,0,0,0|1,0,2]=4 1835 B12R0.101 C=CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000754431 [0,1,0,0,0,0|2,0,1]=4 1836 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,1,0,0,0,0|2,0,1]=4 1837 B12R0.101 C=CCCC(=O)COC(=O)CCC 1458a_100000749702_100000034017 [0,1,0,0,0,0|2,0,1]=4 1838 B12R0.101 C=CCCC(=O)NCC(O)COC 240690a_100000756049_100000749702 [0,1,0,0,0,0|3,0,0]=4 1839 B12R0.101 C=CCCC(=O)NCC(O)COC 527a_100000756049_100000749702 [0,1,0,0,0,0|3,0,0]=4 1840 B12R0.101 C=CCNC(=O)CCC(=O)NCC 1626a_100020586998_100000199579 [0,1,0,0,0,0|2,0,1]=4 1841 B12R0.101 C=CCNC(=O)CCC(=O)NCC 240690a_100020586998_100000199579 [0,1,0,0,0,0|2,0,1]=4 1842 B12R0.101 C=CCNC(=O)CCC(=O)OCC 1626a_100020586998_100000183558 [0,1,0,0,0,0|2,0,1]=4 1843 B12R0.101 C=CCNC(=O)CCC(=O)OCC 240690a_100020586998_100000183558 [0,1,0,0,0,0|2,0,1]=4 1844 B12R0.101 C=CCNC(=O)CCN(C)CCC 2230a_100000747261_100011222895 [0,1,0,0,0,0|2,0,0]=3 1845 B12R0.101 C=CCNC(=O)CCN(C)CCC 269982a_100000747261_100011222895 [0,1,0,0,0,0|2,0,0]=3 1846 B12R0.101 C=CCNC(=O)CCN(C)CCO 2230a_100000210263_100011222895 [0,1,0,0,0,0|3,0,0]=4 1847 B12R0.101 C=CCNC(=O)CCN(C)CCO 269982a_100000210263_100011222895 [0,1,0,0,0,0|3,0,0]=4 1848 B12R0.101 C=CCNC(=O)CNC(C)CCC 2230a_100000741246_100000183597 [0,1,0,0,0,0|2,0,0]=3 1849 B12R0.101 C=CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183597 [0,1,0,0,0,0|3,0,0]=4 1850 B12R0.101 C=CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183597 [0,1,0,0,0,0|3,0,0]=4 1851 B12R0.101 C=CCNC(=O)COC(C)CCC 7a_100000764384_100000183597 [0,1,0,0,0,0|2,0,0]=3 1852 B12R0.101 C=CCNC(=O)CSC(C)CCC 62a_100000183597_100000766640 [0,1,0,0,0,0|2,0,0]=3 1853 B12R0.101 C=CCNC(=O)CSC(C)CCC 62a_100000766640_100000183597 [0,1,0,0,0,0|2,0,0]=3 1854 B12R0.101 C=CCNC(=O)CSC(C)CCO 62a_100000183597_100009893172 [0,1,0,0,0,0|3,0,0]=4 1855 B12R0.101 C=CCNC(=O)CSC(C)CCO 62a_100009893172_100000183597 [0,1,0,0,0,0|3,0,0]=4 1856 B12R0.101 C=CCNC(=O)CSC(C)COC 62a_100000183597_100000765312 [0,1,0,0,0,0|3,0,0]=4 1857 B12R0.101 C=CCNC(=O)CSC(C)COC 62a_100000765312_100000183597 [0,1,0,0,0,0|3,0,0]=4 1858 B12R0.101 C=CCNC(=O)NCC(O)COC 273464a_100000756049_100020586998 [0,1,0,0,0,0|3,0,0]=4 1859 B12R0.101 C=CCNC(=O)NCC(O)COC 273464a_100020586998_100000756049 [0,1,0,0,0,0|3,0,0]=4 1860 B12R0.101 C=CCNC(=O)NCC(O)COC 512a_100000756049_100020586998 [0,1,0,0,0,0|3,0,0]=4 1861 B12R0.101 C=CCNC(=O)NCC(O)COC 512a_100020586998_100000756049 [0,1,0,0,0,0|3,0,0]=4 1862 B12R0.101 C=CCNC(C)CCC(C)CCC 270004a_100020586998_200011216527 [0,1,0,0,0,0|2,0,1]=4 1863 B12R0.101 C=CCOC(=O)CNC(C)CCC 2230a_100000741246_100000033060 [0,1,0,0,0,0|1,0,0]=2 1864 B12R0.101 C=CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000033060 [0,1,0,0,0,0|2,0,1]=4 1865 B12R0.101 C=CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000033060 [0,1,0,0,0,0|2,0,0]=3 1866 B12R0.101 C=CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000033060 [0,1,0,0,0,0|2,0,0]=3 1867 B12R0.101 C=CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000033060 [0,1,0,0,0,0|2,0,0]=3 1868 B12R0.101 C=CCOC(=O)COC(C)/C=C/C 34a_200102604097_100000033060 [0,1,0,0,0,0|1,0,2]=4 1869 B12R0.101 C=CCOC(=O)COC(C)C#CC 34a_100011216543_100000033060 [0,1,0,0,0,0|1,0,2]=4 1870 B12R0.101 C=CCOC(=O)COC(C)CCBr 34a_100012276601_100000033060 [0,1,0,0,0,0|2,0,0]=3 1871 B12R0.101 C=CCOC(=O)COC(C)CCC 34a_100000764384_100000033060 [0,1,0,0,0,0|1,0,0]=2 1872 B12R0.101 C=CCOC(=O)COC(C)CCC 7a_100000764384_100000033060 [0,1,0,0,0,0|1,0,0]=2 1873 B12R0.101 C=CCOC(=O)CO[C@H](C)CC=C 34a_100000731007_100000033060 [0,1,0,0,0,0|1,0,2]=4 1874 B12R0.101 C=CCOC(=O)CO[C@H](C)CC=C 7a_100000731007_100000033060 [0,1,0,0,0,0|1,0,2]=4 1875 B12R0.101 C=CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000033060 [0,1,0,0,0,0|2,0,0]=3 1876 B12R0.101 C=CCOC(=O)CSC(C)CC#N 62a_100000033060_100009813641 [0,1,0,0,0,0|2,0,1]=4 1877 B12R0.101 C=CCOC(=O)CSC(C)CC#N 62a_100009813641_100000033060 [0,1,0,0,0,0|2,0,1]=4 1878 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000033060_100000766640 [0,1,0,0,0,0|1,0,0]=2 1879 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000766640_100000033060 [0,1,0,0,0,0|1,0,0]=2 1880 B12R0.101 C=CCOC(=O)CSC(C)CCO 62a_100000033060_100009893172 [0,1,0,0,0,0|2,0,0]=3 1881 B12R0.101 C=CCOC(=O)CSC(C)CCO 62a_100009893172_100000033060 [0,1,0,0,0,0|2,0,0]=3 1882 B12R0.101 C=CCOC(=O)CSC(C)COC 62a_100000033060_100000765312 [0,1,0,0,0,0|2,0,0]=3 1883 B12R0.101 C=CCOC(=O)CSC(C)COC 62a_100000765312_100000033060 [0,1,0,0,0,0|2,0,0]=3 1884 B12R0.101 C=CCOC(=O)NCC(=O)CCC 1458a_100000216761_100000210303 [0,1,0,0,0,0|1,0,1]=3 1885 B12R0.101 C=CCOC(=O)NCC(=O)CCF 1458a_100000216761_100011217306 [0,1,0,0,0,0|2,0,1]=4 1886 B12R0.101 C=CCOC(=O)NCC(=O)CCO 1458a_100000216761_100000211926 [0,1,0,0,0,0|2,0,1]=4 1887 B12R0.101 C=CCOC(=O)NCC(=O)NCC 11a_100015525214_100000216761 [0,1,0,0,0,0|2,0,1]=4 1888 B12R0.101 C=CCOC(=O)NCC(=O)NCC 240690a_100015525214_100000216761 [0,1,0,0,0,0|2,0,1]=4 1889 B12R0.101 C=CCOC(=O)NCC(=O)NCC 527a_100015525214_100000216761 [0,1,0,0,0,0|2,0,1]=4 1890 B12R0.101 CCCOC(=O)CNC(C)CCC 2230a_100000741246_200011215008 [0,1,0,0,0,0|1,0,2]=4 1891 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,1,0,0,0,0|1,0,2]=4 1892 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,1,0,0,0,0|1,0,2]=4 1893 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_100000766640_200011215008 [0,1,0,0,0,0|1,0,2]=4 1894 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_200011215008_100000766640 [0,1,0,0,0,0|1,0,2]=4 1895 B12R0.102 C=CC=CC(=O)CCCN(C)CC 1458a_100016291481_100015186262 [0,1,0,0,0,0|2,0,1]=4 1896 B12R0.102 C=CC=CC(=O)NCCC(C)CC 1626a_100020591266_100016291481 [0,1,0,0,0,0|2,0,1]=4 1897 B12R0.102 C=CCCC(=O)CCCC(=O)NC 1458a_100000749702_100000741757 [0,1,0,0,0,0|2,0,1]=4 1898 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000754431 [0,1,0,0,0,0|2,0,1]=4 1899 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000749702_100011218270 [0,1,0,0,0,0|2,0,1]=4 1900 B12R0.102 C=CCCC(=O)CCCN(C)CC 1458a_100000749702_100015186262 [0,1,0,0,0,0|2,0,0]=3 1901 B12R0.102 C=CCCC(=O)NCCC(C)CC 11a_100020591266_100000749702 [0,1,0,0,0,0|2,0,0]=3 1902 B12R0.102 C=CCCC(=O)NCCC(C)CC 1626a_100020591266_100000749702 [0,1,0,0,0,0|2,0,0]=3 1903 B12R0.102 C=CCCC(=O)NCCC(C)CC 240690a_100020591266_100000749702 [0,1,0,0,0,0|2,0,0]=3 1904 B12R0.102 C=CCCC(=O)NCCC(C)CC 527a_100020591266_100000749702 [0,1,0,0,0,0|2,0,0]=3 1905 B12R0.102 C=CCCC(=O)NCCC(C)CO 240690a_106354213184_100000749702 [0,1,0,0,0,0|3,0,0]=4 1906 B12R0.102 C=CCCC(=O)NCCC(C)CO 527a_106354213184_100000749702 [0,1,0,0,0,0|3,0,0]=4 1907 B12R0.102 C=CCCC(=O)NNCC(O)CC 22a_100015206393_100000749702 [0,1,0,0,0,0|3,0,0]=4 1908 B12R0.102 C=CCNC(=O)CCCC(=O)OC 1626a_100020586998_100000239890 [0,1,0,0,0,0|2,0,1]=4 1909 B12R0.102 C=CCNC(=O)CCCC(=O)OC 240690a_100020586998_100000239890 [0,1,0,0,0,0|2,0,1]=4 1910 B12R0.102 C=CCNC(=O)CCCC(=O)OC 527a_100020586998_100000239890 [0,1,0,0,0,0|2,0,1]=4 1911 B12R0.102 C=CCNC(=O)CCNC(C)CC 2230a_100000209981_100011222895 [0,1,0,0,0,0|2,0,0]=3 1912 B12R0.102 C=CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100011222895 [0,1,0,0,0,0|3,0,0]=4 1913 B12R0.102 C=CCNC(=O)CCOC(C)CC 7a_100000210228_100011222895 [0,1,0,0,0,0|2,0,0]=3 1914 B12R0.102 C=CCNC(=O)CCOC(C)CF 7a_100016041109_100011222895 [0,1,0,0,0,0|3,0,0]=4 1915 B12R0.102 C=CCNC(=O)CCSC(C)CC 62a_100000758301_100011222895 [0,1,0,0,0,0|2,0,0]=3 1916 B12R0.102 C=CCNC(=O)CCSC(C)CC 62a_100011222895_100000758301 [0,1,0,0,0,0|2,0,0]=3 1917 B12R0.102 C=CCNC(=O)CCSC(C)CO 62a_100012180447_100011222895 [0,1,0,0,0,0|3,0,0]=4 1918 B12R0.102 C=CCNC(=O)CCSC(C)OC 62a_100009879195_100011222895 [0,1,0,0,0,0|3,0,0]=4 1919 B12R0.102 C=CCNC(=O)CCSC(C)OC 62a_100011222895_100009879195 [0,1,0,0,0,0|3,0,0]=4 1920 B12R0.102 C=CCNC(=O)CCS[C@H](C)CO 62a_100011222895_100016084084 [0,1,0,0,0,0|3,0,0]=4 1921 B12R0.102 C=CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100011222895 [0,1,0,0,0,0|3,0,0]=4 1922 B12R0.102 C=CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183597 [0,1,0,0,0,0|2,0,0]=3 1923 B12R0.102 C=CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183597 [0,1,0,0,0,0|2,0,0]=3 1924 B12R0.102 C=CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183597 [0,1,0,0,0,0|3,0,0]=4 1925 B12R0.102 C=CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183597 [0,1,0,0,0,0|3,0,0]=4 1926 B12R0.102 C=CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183597 [0,1,0,0,0,0|2,0,0]=3 1927 B12R0.102 C=CCNC(=O)CSCC(=O)CC 62a_100000183597_100000747405 [0,1,0,0,0,0|2,0,1]=4 1928 B12R0.102 C=CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183597 [0,1,0,0,0,0|2,0,1]=4 1929 B12R0.102 C=CCNC(=O)CSCC(C)CC 62a_100000183597_100000748023 [0,1,0,0,0,0|2,0,0]=3 1930 B12R0.102 C=CCNC(=O)CSCC(C)CC 62a_100000748023_100000183597 [0,1,0,0,0,0|2,0,0]=3 1931 B12R0.102 C=CCNC(=O)CSCC(O)CC 62a_100000183597_100011218378 [0,1,0,0,0,0|2,0,0]=3 1932 B12R0.102 C=CCNC(=O)CSCC(O)CC 62a_100011218378_100000183597 [0,1,0,0,0,0|2,0,0]=3 1933 B12R0.102 C=CCNC(=O)CSCC(O)CO 62a_100000183597_100011219619 [0,1,0,0,0,0|3,0,0]=4 1934 B12R0.102 C=CCNC(=O)CSCC(O)CO 62a_100011219619_100000183597 [0,1,0,0,0,0|3,0,0]=4 1935 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CC 62a_100000183597_100009816398 [0,1,0,0,0,0|2,0,0]=3 1936 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183597 [0,1,0,0,0,0|2,0,0]=3 1937 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183597 [0,1,0,0,0,0|3,0,0]=4 1938 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CO 62a_100000183597_100000059175 [0,1,0,0,0,0|3,0,0]=4 1939 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CF 62a_100000183597_100015614560 [0,1,0,0,0,0|3,0,0]=4 1940 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183597 [0,1,0,0,0,0|3,0,0]=4 1941 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CO 62a_100000183597_100009815848 [0,1,0,0,0,0|3,0,0]=4 1942 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183597 [0,1,0,0,0,0|3,0,0]=4 1943 B12R0.102 C=CCNC(=O)NCCC(C)CC 2708a_100020591266_100020586998 [0,1,0,0,0,0|2,0,0]=3 1944 B12R0.102 C=CCNC(=O)NCCC(C)CC 273464a_100020586998_100020591266 [0,1,0,0,0,0|2,0,0]=3 1945 B12R0.102 C=CCNC(=O)NCCC(C)CC 273464a_100020591266_100020586998 [0,1,0,0,0,0|2,0,0]=3 1946 B12R0.102 C=CCNC(=O)NCCC(C)CC 512a_100020586998_100020591266 [0,1,0,0,0,0|2,0,0]=3 1947 B12R0.102 C=CCNC(=O)NCCC(C)CC 512a_100020591266_100020586998 [0,1,0,0,0,0|2,0,0]=3 1948 B12R0.102 C=CCNC(=O)NCCC(C)CO 273464a_100020586998_106354213184 [0,1,0,0,0,0|3,0,0]=4 1949 B12R0.102 C=CCNC(=O)NCCC(C)CO 273464a_106354213184_100020586998 [0,1,0,0,0,0|3,0,0]=4 1950 B12R0.102 C=CCNC(=O)NCCC(C)CO 512a_100020586998_106354213184 [0,1,0,0,0,0|3,0,0]=4 1951 B12R0.102 C=CCNC(=O)NCCC(C)CO 512a_106354213184_100020586998 [0,1,0,0,0,0|3,0,0]=4 1952 B12R0.102 C=CCNC(=O)NNCC(O)CC 273464a_100020586998_100015206393 [0,1,0,0,0,0|3,0,0]=4 1953 B12R0.102 C=CCNC(=O)NNCC(O)CC 512a_100015206393_100020586998 [0,1,0,0,0,0|3,0,0]=4 1954 B12R0.102 C=CCNC(=O)NNCC(O)CC 512a_100020586998_100015206393 [0,1,0,0,0,0|3,0,0]=4 1955 B12R0.102 C=CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000033060 [0,1,0,0,0,0|2,0,1]=4 1956 B12R0.102 C=CCOC(=O)CNCC(C)CC 2230a_100020588543_100000033060 [0,1,0,0,0,0|1,0,0]=2 1957 B12R0.102 C=CCOC(=O)CNCC(C)CO 34a_100000744482_100000033060 [0,1,0,0,0,0|2,0,0]=3 1958 B12R0.102 C=CCOC(=O)CNCC(O)CC 2230a_100011218483_100000033060 [0,1,0,0,0,0|1,0,0]=2 1959 B12R0.102 C=CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000033060 [0,1,0,0,0,0|2,0,0]=3 1960 B12R0.102 C=CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000033060 [0,1,0,0,0,0|2,0,0]=3 1961 B12R0.102 C=CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000033060 [0,1,0,0,0,0|2,0,0]=3 1962 B12R0.102 C=CCOC(=O)COCC(=O)CC 34a_100000725409_100000033060 [0,1,0,0,0,0|1,0,1]=3 1963 B12R0.102 C=CCOC(=O)COCC(=O)NC 34a_100000750040_100000033060 [0,1,0,0,0,0|2,0,1]=4 1964 B12R0.102 C=CCOC(=O)COCC(C)C=C 34a_100011215527_100000033060 [0,1,0,0,0,0|1,0,2]=4 1965 B12R0.102 C=CCOC(=O)COCC(C)C=C 7a_100011215527_100000033060 [0,1,0,0,0,0|1,0,2]=4 1966 B12R0.102 C=CCOC(=O)COCC(C)CN 34a_100000744482_100000033060 [0,1,0,0,0,0|2,0,0]=3 1967 B12R0.102 C=CCOC(=O)COCC(C)OC 34a_100000690652_100000033060 [0,1,0,0,0,0|2,0,0]=3 1968 B12R0.102 C=CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000033060 [0,1,0,0,0,0|2,0,0]=3 1969 B12R0.102 C=CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000033060 [0,1,0,0,0,0|1,0,0]=2 1970 B12R0.102 C=CCOC(=O)COC[C@@H](N)C=C 34a_100016989147_100000033060 [0,1,0,0,0,0|1,0,2]=4 1971 B12R0.102 C=CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000033060 [0,1,0,0,0,0|2,0,0]=3 1972 B12R0.102 C=CCOC(=O)CSCC(=O)CC 62a_100000033060_100000747405 [0,1,0,0,0,0|1,0,1]=3 1973 B12R0.102 C=CCOC(=O)CSCC(=O)CC 62a_100000747405_100000033060 [0,1,0,0,0,0|1,0,1]=3 1974 B12R0.102 C=CCOC(=O)CSCC(=O)NC 62a_100000033060_100000183359 [0,1,0,0,0,0|2,0,1]=4 1975 B12R0.102 C=CCOC(=O)CSCC(=O)NC 62a_100000183359_100000033060 [0,1,0,0,0,0|2,0,1]=4 1976 B12R0.102 C=CCOC(=O)CSCC(=O)OC 62a_100000033060_100000747449 [0,1,0,0,0,0|2,0,1]=4 1977 B12R0.102 C=CCOC(=O)CSCC(=O)OC 62a_100000747449_100000033060 [0,1,0,0,0,0|2,0,1]=4 1978 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000033060_100000748023 [0,1,0,0,0,0|1,0,0]=2 1979 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000748023_100000033060 [0,1,0,0,0,0|1,0,0]=2 1980 B12R0.102 C=CCOC(=O)CSCC(O)C=C 62a_100000033060_100000730141 [0,1,0,0,0,0|1,0,2]=4 1981 B12R0.102 C=CCOC(=O)CSCC(O)C=C 62a_100000730141_100000033060 [0,1,0,0,0,0|1,0,2]=4 1982 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100000033060_100011218378 [0,1,0,0,0,0|1,0,0]=2 1983 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100011218378_100000033060 [0,1,0,0,0,0|1,0,0]=2 1984 B12R0.102 C=CCOC(=O)CSCC(O)CO 62a_100000033060_100011219619 [0,1,0,0,0,0|2,0,0]=3 1985 B12R0.102 C=CCOC(=O)CSCC(O)CO 62a_100011219619_100000033060 [0,1,0,0,0,0|2,0,0]=3 1986 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100000033060_100009816398 [0,1,0,0,0,0|1,0,0]=2 1987 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000033060 [0,1,0,0,0,0|1,0,0]=2 1988 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CO 62a_100000033060_100000059175 [0,1,0,0,0,0|2,0,0]=3 1989 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000033060 [0,1,0,0,0,0|2,0,0]=3 1990 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CF 62a_100000033060_100015614560 [0,1,0,0,0,0|2,0,0]=3 1991 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000033060 [0,1,0,0,0,0|2,0,0]=3 1992 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CO 62a_100000033060_100009815848 [0,1,0,0,0,0|2,0,0]=3 1993 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000033060 [0,1,0,0,0,0|2,0,0]=3 1994 B12R0.102 CCCOC(=O)CNCC(C)CC 2230a_100020588543_200011215008 [0,1,0,0,0,0|1,0,2]=4 1995 B12R0.102 CCCOC(=O)CNCC(O)CC 2230a_100011218483_200011215008 [0,1,0,0,0,0|1,0,2]=4 1996 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200011215008 [0,1,0,0,0,0|1,0,2]=4 1997 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_100000748023_200011215008 [0,1,0,0,0,0|1,0,2]=4 1998 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_200011215008_100000748023 [0,1,0,0,0,0|1,0,2]=4 1999 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_100011218378_200011215008 [0,1,0,0,0,0|1,0,2]=4 2000 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_200011215008_100011218378 [0,1,0,0,0,0|1,0,2]=4 2001 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_200011215008 [0,1,0,0,0,0|1,0,2]=4 2002 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_200011215008_100009816398 [0,1,0,0,0,0|1,0,2]=4 2003 B12R0.103 C#CCCC(=O)CC(=O)OCC=C 1458a_100000692101_100000033060 [0,1,0,0,0,0|0,0,3]=4 2004 B12R0.103 C=CC=CC(=O)NC(C)CCCC 1626a_100000126638_100016291481 [0,1,0,0,0,0|2,0,1]=4 2005 B12R0.103 C=CCCC(=O)CC(=O)NCCC 1458a_100000749702_100000183358 [0,1,0,0,0,0|2,0,1]=4 2006 B12R0.103 C=CCCC(=O)CC(=O)OCC=C 1458a_100000749702_100000033060 [0,1,0,0,0,0|0,0,3]=4 2007 B12R0.103 C=CCCC(=O)CC(=O)OCCC 1458a_100000749702_200011215008 [0,1,0,0,0,0|2,0,1]=4 2008 B12R0.103 C=CCCC(=O)NC(C)CCCC 11a_100000126638_100000749702 [0,1,0,0,0,0|2,0,0]=3 2009 B12R0.103 C=CCCC(=O)NC(C)CCCC 1626a_100000126638_100000749702 [0,1,0,0,0,0|2,0,0]=3 2010 B12R0.103 C=CCCC(=O)NC(C)CCCC 240690a_100000126638_100000749702 [0,1,0,0,0,0|2,0,0]=3 2011 B12R0.103 C=CCCC(=O)NC(C)CCCC 527a_100000126638_100000749702 [0,1,0,0,0,0|2,0,0]=3 2012 B12R0.103 C=CCCN(C)CC(=O)OCC=C 2230a_100020639649_100000033060 [0,1,0,0,0,0|1,0,2]=4 2013 B12R0.103 C=CCCN(C)CC(=O)OCC=C 269982a_100020639649_100000033060 [0,1,0,0,0,0|1,0,2]=4 2014 B12R0.103 C=CCNC(=O)CC(=O)CCCC 1458a_100000210183_100000183597 [0,1,0,0,0,0|1,0,1]=3 2015 B12R0.103 C=CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183597 [0,1,0,0,0,0|2,0,1]=4 2016 B12R0.103 C=CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183597 [0,1,0,0,0,0|2,0,1]=4 2017 B12R0.103 C=CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183597 [0,1,0,0,0,0|2,0,1]=4 2018 B12R0.103 C=CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183597 [0,1,0,0,0,0|2,0,1]=4 2019 B12R0.103 C=CCNC(=O)CN(C)CCCC 2230a_100000207549_100000183597 [0,1,0,0,0,0|2,0,0]=3 2020 B12R0.103 C=CCNC(=O)CN(C)CCCC 269982a_100000207549_100000183597 [0,1,0,0,0,0|2,0,0]=3 2021 B12R0.103 C=CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183597 [0,1,0,0,0,0|3,0,0]=4 2022 B12R0.103 C=CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183597 [0,1,0,0,0,0|3,0,0]=4 2023 B12R0.103 C=CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183597 [0,1,0,0,0,0|3,0,0]=4 2024 B12R0.103 C=CCNC(=O)CN(C)CCOC 240690a_100020586998_100015184299 [0,1,0,0,0,0|3,0,0]=4 2025 B12R0.103 C=CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183597 [0,1,0,0,0,0|3,0,0]=4 2026 B12R0.103 C=CCNC(=O)CN(C)CCOC 527a_100020586998_100015184299 [0,1,0,0,0,0|3,0,0]=4 2027 B12R0.103 C=CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183597 [0,1,0,0,0,0|3,0,0]=4 2028 B12R0.103 C=CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183597 [0,1,0,0,0,0|3,0,0]=4 2029 B12R0.103 C=CCNC(=O)NC(C)CCCC 2708a_100000126638_100020586998 [0,1,0,0,0,0|2,0,0]=3 2030 B12R0.103 C=CCNC(=O)NC(C)CCCC 273464a_100000126638_100020586998 [0,1,0,0,0,0|2,0,0]=3 2031 B12R0.103 C=CCNC(=O)NC(C)CCCC 273464a_100020586998_100000126638 [0,1,0,0,0,0|2,0,0]=3 2032 B12R0.103 C=CCNC(=O)NC(C)CCCC 512a_100000126638_100020586998 [0,1,0,0,0,0|2,0,0]=3 2033 B12R0.103 C=CCNC(=O)NC(C)CCCC 512a_100020586998_100000126638 [0,1,0,0,0,0|2,0,0]=3 2034 B12R0.103 C=CCOC(=O)CC(=O)C#CCC 1458a_100011827653_100000033060 [0,1,0,0,0,0|0,0,3]=4 2035 B12R0.103 C=CCOC(=O)CC(=O)C=CCC 1458a_100000212282_100000033060 [0,1,0,0,0,0|0,0,3]=4 2036 B12R0.103 C=CCOC(=O)CC(=O)CC=CC 1458a_100121576822_100000033060 [0,1,0,0,0,0|0,0,3]=4 2037 B12R0.103 C=CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000033060 [0,1,0,0,0,0|1,0,2]=4 2038 B12R0.103 C=CCOC(=O)CC(=O)CCCC 1458a_100000210183_100000033060 [0,1,0,0,0,0|0,0,1]=2 2039 B12R0.103 C=CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000033060 [0,1,0,0,0,0|1,0,1]=3 2040 B12R0.103 C=CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000033060 [0,1,0,0,0,0|1,0,1]=3 2041 B12R0.103 C=CCOC(=O)CC(=O)COCC 1458a_100000211967_100000033060 [0,1,0,0,0,0|1,0,1]=3 2042 B12R0.103 C=CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000033060 [0,1,0,0,0,0|1,0,1]=3 2043 B12R0.103 C=CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000033060 [0,1,0,0,0,0|2,0,1]=4 2044 B12R0.103 C=CCOC(=O)CN(C)CCCC 2230a_100000207549_100000033060 [0,1,0,0,0,0|1,0,0]=2 2045 B12R0.103 C=CCOC(=O)CN(C)CCCC 269982a_100000207549_100000033060 [0,1,0,0,0,0|1,0,0]=2 2046 B12R0.103 C=CCOC(=O)CN(C)CCCO 2230a_100000213112_100000033060 [0,1,0,0,0,0|2,0,0]=3 2047 B12R0.103 C=CCOC(=O)CN(C)CCCO 269982a_100000213112_100000033060 [0,1,0,0,0,0|2,0,0]=3 2048 B12R0.103 C=CCOC(=O)CN(C)CCOC 2230a_100000743101_100000033060 [0,1,0,0,0,0|2,0,0]=3 2049 B12R0.103 C=CCOC(=O)CN(C)CCOC 269982a_100000743101_100000033060 [0,1,0,0,0,0|2,0,0]=3 2050 B12R0.103 C=CCOC(=O)CN(C)CCSC 2230a_100000686725_100000033060 [0,1,0,0,0,0|2,0,0]=3 2051 B12R0.103 C=CCOC(=O)CN(C)CCSC 269982a_100000686725_100000033060 [0,1,0,0,0,0|2,0,0]=3 2052 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,1,0,0,0,0|0,0,3]=4 2053 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [0,1,0,0,0,0|1,0,2]=4 2054 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [0,1,0,0,0,0|1,0,2]=4 2055 B12R0.111 C#CC(CCCCCBr)OCC=C 34a_200010408556_100015514636 [0,1,0,0,0,0|2,0,1]=4 2056 B12R0.111 C#CC(CCCCCBr)OCC=C 7a_200010408556_100015514636 [0,1,0,0,0,0|2,0,1]=4 2057 B12R0.111 C=CC(CCCCCC)OCC=O 34a_200011215977_200009817547 [0,1,0,0,0,0|2,0,1]=4 2058 B12R0.111 C=CC(CCCCCC)OCC=O 7a_200011215977_200015260668 [0,1,0,0,0,0|2,0,1]=4 2059 B12R0.111 C=CCNC(CC)CCCCCC 270004a_100020586998_100011219640 [0,1,0,0,0,0|2,0,1]=4 2060 B12R0.111 C=CCOC(C=C)CCCCCC 34a_200011215977_100015514636 [0,1,0,0,0,0|1,0,1]=3 2061 B12R0.111 C=CCOC(C=C)CCCCCC 7a_200011215977_100015514636 [0,1,0,0,0,0|1,0,1]=3 2062 B12R0.111 C=CCOC(CC)CCCCCC 34a_100011215785_100015514636 [0,1,0,0,0,0|1,0,1]=3 2063 B12R0.111 C=CCOC(CC)CCCCCC 7a_100011215785_100015514636 [0,1,0,0,0,0|1,0,1]=3 2064 B12R0.111 CCCCCCC(CC)OCC=O 34a_100011215785_200009817547 [0,1,0,0,0,0|2,0,1]=4 2065 B12R0.111 CCCCCCC(CC)OCC=O 7a_100011215785_200015260668 [0,1,0,0,0,0|2,0,1]=4 2066 B12R0.113 C#CC(C)NC(=O)CCCCCC 11a_100000707721_100102632555 [0,1,0,0,0,0|1,0,2]=4 2067 B12R0.113 C#CC(C)NC(=O)CCCCCC 1626a_100000707721_100102632555 [0,1,0,0,0,0|1,0,2]=4 2068 B12R0.113 C#CC(C)NC(=O)CCCCCC 240690a_100000707721_100102632555 [0,1,0,0,0,0|1,0,2]=4 2069 B12R0.113 C#CC(C)NC(=O)CCCCCC 527a_100000707721_100102632555 [0,1,0,0,0,0|1,0,2]=4 2070 B12R0.113 C#CCCCCC(=O)CC(C)C=C 1458a_100011934298_100010269958 [0,1,0,0,0,0|1,0,2]=4 2071 B12R0.113 C=CC(=O)CC(=O)NCCCCC 1458a_100000185746_100000230301 [0,1,0,0,0,0|2,0,1]=4 2072 B12R0.113 C=CC(C)CC(=O)CC/C=C\CC 1458a_100011934298_100015370543 [0,1,0,0,0,0|1,0,2]=4 2073 B12R0.113 C=CC(C)CC(=O)CCCCC#N 1458a_100011934298_100000211819 [0,1,0,0,0,0|2,0,1]=4 2074 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,1,0,0,0,0|1,0,0]=2 2075 B12R0.113 C=CC(C)CC(=O)CCCCCF 1458a_100011934298_100000729378 [0,1,0,0,0,0|2,0,0]=3 2076 B12R0.113 C=CC(C)CC(=O)CCCCCO 1458a_100011934298_100000746330 [0,1,0,0,0,0|2,0,0]=3 2077 B12R0.113 C=CC(C)CC(=O)CCCCOC 1458a_100011934298_100000755781 [0,1,0,0,0,0|2,0,0]=3 2078 B12R0.113 C=CC(C)CC(=O)CCCOCC 1458a_100011934298_100012232248 [0,1,0,0,0,0|2,0,0]=3 2079 B12R0.113 C=CC(C)CC(=O)CCOCCC 1458a_100011934298_100011215938 [0,1,0,0,0,0|2,0,0]=3 2080 B12R0.113 C=CC(C)CC(=O)CCOCCO 1458a_100011934298_100011215305 [0,1,0,0,0,0|3,0,0]=4 2081 B12R0.113 C=CC(C)CC(=O)COCCCC 1458a_100011934298_100011995733 [0,1,0,0,0,0|2,0,0]=3 2082 B12R0.113 C=CC(C)CC(=O)NCCCCC 11a_100000209983_100011934298 [0,1,0,0,0,0|2,0,0]=3 2083 B12R0.113 C=CC(C)CC(=O)NCCCCC 1626a_100000209983_100011934298 [0,1,0,0,0,0|2,0,0]=3 2084 B12R0.113 C=CC(C)CC(=O)NCCCCC 240690a_100000209983_100011934298 [0,1,0,0,0,0|2,0,0]=3 2085 B12R0.113 C=CC(C)CC(=O)NCCCCC 527a_100000209983_100011934298 [0,1,0,0,0,0|2,0,0]=3 2086 B12R0.113 C=CC(C)CC(=O)NCCCCO 240690a_100000750430_100011934298 [0,1,0,0,0,0|3,0,0]=4 2087 B12R0.113 C=CC(C)CC(=O)NCCCCO 527a_100000750430_100011934298 [0,1,0,0,0,0|3,0,0]=4 2088 B12R0.113 C=CC(C)CC(=O)NCCCOC 1626a_100150723488_100011934298 [0,1,0,0,0,0|3,0,0]=4 2089 B12R0.113 C=CC(C)CC(=O)NCCCOC 240690a_100150723488_100011934298 [0,1,0,0,0,0|3,0,0]=4 2090 B12R0.113 C=CC(C)CC(=O)NCCCOC 527a_100150723488_100011934298 [0,1,0,0,0,0|3,0,0]=4 2091 B12R0.113 C=CC(C)CC(=O)NCCCSC 11a_100000749238_100011934298 [0,1,0,0,0,0|3,0,0]=4 2092 B12R0.113 C=CC(C)CC(=O)NCCCSC 1626a_100000749238_100011934298 [0,1,0,0,0,0|3,0,0]=4 2093 B12R0.113 C=CC(C)CC(=O)NCCCSC 240690a_100000749238_100011934298 [0,1,0,0,0,0|3,0,0]=4 2094 B12R0.113 C=CC(C)CC(=O)NCCCSC 527a_100000749238_100011934298 [0,1,0,0,0,0|3,0,0]=4 2095 B12R0.113 C=CC(C)CC(=O)NCCOCC 11a_100011200944_100011934298 [0,1,0,0,0,0|3,0,0]=4 2096 B12R0.113 C=CC(C)CC(=O)NCCOCC 1626a_102516460346_100011934298 [0,1,0,0,0,0|3,0,0]=4 2097 B12R0.113 C=CC(C)CC(=O)NCCOCC 240690a_100011200944_100011934298 [0,1,0,0,0,0|3,0,0]=4 2098 B12R0.113 C=CC(C)CC(=O)NCCOCC 527a_100011200944_100011934298 [0,1,0,0,0,0|3,0,0]=4 2099 B12R0.113 C=CC(C)CC(=O)NCCSCC 11a_100000106463_100011934298 [0,1,0,0,0,0|3,0,0]=4 2100 B12R0.113 C=CC(C)CC(=O)NCCSCC 1626a_100000106463_100011934298 [0,1,0,0,0,0|3,0,0]=4 2101 B12R0.113 C=CC(C)CC(=O)NCCSCC 240690a_100000106463_100011934298 [0,1,0,0,0,0|3,0,0]=4 2102 B12R0.113 C=CC(C)CC(=O)NCCSCC 527a_100000106463_100011934298 [0,1,0,0,0,0|3,0,0]=4 2103 B12R0.113 C=CC(C)CC(=O)NNCCCC 22a_100025702795_100011934298 [0,1,0,0,0,0|3,0,0]=4 2104 B12R0.113 C=CC(C)OC(C)CCCCCC 34a_100000695699_100011215978 [0,1,0,0,0,0|1,0,1]=3 2105 B12R0.113 C=CC(C)SC(C)CCCCCC 62a_100011215867_100011215978 [0,1,0,0,0,0|1,1,1]=4 2106 B12R0.113 C=CC(O)CN(C)CCCCCC 2230a_106256046315_100000730141 [0,1,0,0,0,0|3,0,0]=4 2107 B12R0.113 C=CCCCCC(=O)CC(C)C=C 1458a_100011934298_100011215482 [0,1,0,0,0,0|1,0,2]=4 2108 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,1,0,0,0,0|1,0,2]=4 2109 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,1,0,0,0,0|1,0,2]=4 2110 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,1,0,0,0,0|1,0,2]=4 2111 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,1,0,0,0,0|1,0,2]=4 2112 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,1,0,0,0,0|1,0,2]=4 2113 B12R0.113 CCCCCCC(=O)C[C@@H](C)CO 1458a_100102632555_100000059175 [0,1,0,0,0,0|2,0,1]=4 2114 B12R0.113 CCCCCCC(=O)NC(C)C#N 11a_100000737613_100102632555 [0,1,0,0,0,0|2,0,1]=4 2115 B12R0.113 CCCCCCC(=O)NC(C)C#N 1626a_100000737613_100102632555 [0,1,0,0,0,0|2,0,1]=4 2116 B12R0.113 CCCCCCC(=O)NC(C)C#N 527a_100000737613_100102632555 [0,1,0,0,0,0|2,0,1]=4 2117 B12R0.113 CCCCCCC(=O)NC(C)CC 11a_100000209981_100102632555 [0,1,0,0,0,0|1,0,2]=4 2118 B12R0.113 CCCCCCC(=O)NC(C)CC 1626a_100000209981_100102632555 [0,1,0,0,0,0|1,0,2]=4 2119 B12R0.113 CCCCCCC(=O)NC(C)CC 240690a_100000209981_100102632555 [0,1,0,0,0,0|1,0,2]=4 2120 B12R0.113 CCCCCCC(=O)NC(C)CC 527a_100000209981_100102632555 [0,1,0,0,0,0|1,0,2]=4 2121 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100102632555 [0,1,0,0,0,0|2,0,1]=4 2122 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100102632555 [0,1,0,0,0,0|2,0,1]=4 2123 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100102632555 [0,1,0,0,0,0|2,0,1]=4 2124 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100102632555 [0,1,0,0,0,0|2,0,1]=4 2125 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100102632555 [0,1,0,0,0,0|2,0,1]=4 2126 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100102632555 [0,1,0,0,0,0|2,0,1]=4 2127 B12R0.114 C#CCCCCC(=O)C(C)CC=C 1458a_100011216819_100010269958 [0,1,0,0,0,0|1,0,2]=4 2128 B12R0.114 C#CCCCCC(=O)N(C)CC=C 11a_100000225617_100000696528 [0,1,0,0,0,0|1,0,2]=4 2129 B12R0.114 C#CCCCCC(=O)N(C)CC=C 1626a_100000225617_100000696528 [0,1,0,0,0,0|1,0,2]=4 2130 B12R0.114 C#CCCCCC(=O)N(C)CC=C 240690a_100000225617_100000696528 [0,1,0,0,0,0|1,0,2]=4 2131 B12R0.114 C#CCCCCC(=O)N(C)CC=C 527a_100000225617_100000696528 [0,1,0,0,0,0|1,0,2]=4 2132 B12R0.114 C#CCN(C)C(=O)CCCCCC 11a_100000225692_100102632555 [0,1,0,0,0,0|1,0,2]=4 2133 B12R0.114 C#CCN(C)C(=O)CCCCCC 1626a_100000225692_100102632555 [0,1,0,0,0,0|1,0,2]=4 2134 B12R0.114 C#CCN(C)C(=O)CCCCCC 527a_100000225692_100102632555 [0,1,0,0,0,0|1,0,2]=4 2135 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,1,0,0,0,0|2,0,1]=4 2136 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,1,0,0,0,0|1,0,2]=4 2137 B12R0.114 C=CCC(=O)N(C)CCCCCC 11a_106256046315_100000210193 [0,1,0,0,0,0|3,0,0]=4 2138 B12R0.114 C=CCC(=O)N(C)CCCCCC 1626a_106256046315_100000210193 [0,1,0,0,0,0|3,0,0]=4 2139 B12R0.114 C=CCC(=O)N(C)CCCCCC 240690a_106256046315_100000210193 [0,1,0,0,0,0|3,0,0]=4 2140 B12R0.114 C=CCC(=O)N(C)CCCCCC 527a_106256046315_100000210193 [0,1,0,0,0,0|3,0,0]=4 2141 B12R0.114 C=CCC(C)C(=O)CC/C=C\CC 1458a_100011216819_100015370543 [0,1,0,0,0,0|1,0,2]=4 2142 B12R0.114 C=CCC(C)C(=O)CCCCC#N 1458a_100011216819_100000211819 [0,1,0,0,0,0|2,0,1]=4 2143 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,1,0,0,0,0|1,0,0]=2 2144 B12R0.114 C=CCC(C)C(=O)CCCCCF 1458a_100011216819_100000729378 [0,1,0,0,0,0|2,0,0]=3 2145 B12R0.114 C=CCC(C)C(=O)CCCCCO 1458a_100011216819_100000746330 [0,1,0,0,0,0|2,0,0]=3 2146 B12R0.114 C=CCC(C)C(=O)CCCCOC 1458a_100011216819_100000755781 [0,1,0,0,0,0|2,0,0]=3 2147 B12R0.114 C=CCC(C)C(=O)CCCOCC 1458a_100011216819_100012232248 [0,1,0,0,0,0|2,0,0]=3 2148 B12R0.114 C=CCC(C)C(=O)CCOCCC 1458a_100011216819_100011215938 [0,1,0,0,0,0|2,0,0]=3 2149 B12R0.114 C=CCC(C)C(=O)CCOCCO 1458a_100011216819_100011215305 [0,1,0,0,0,0|3,0,0]=4 2150 B12R0.114 C=CCC(C)C(=O)COCCCC 1458a_100011216819_100011995733 [0,1,0,0,0,0|2,0,0]=3 2151 B12R0.114 C=CCC(C)C(=O)NCCCCC 11a_100000209983_100011216819 [0,1,0,0,0,0|2,0,0]=3 2152 B12R0.114 C=CCC(C)C(=O)NCCCCC 1626a_100000209983_100011216819 [0,1,0,0,0,0|2,0,0]=3 2153 B12R0.114 C=CCC(C)C(=O)NCCCCC 240690a_100000209983_100011216819 [0,1,0,0,0,0|2,0,0]=3 2154 B12R0.114 C=CCC(C)C(=O)NCCCCC 527a_100000209983_100011216819 [0,1,0,0,0,0|2,0,0]=3 2155 B12R0.114 C=CCC(C)C(=O)NCCCCO 240690a_100000750430_100011216819 [0,1,0,0,0,0|3,0,0]=4 2156 B12R0.114 C=CCC(C)C(=O)NCCCCO 527a_100000750430_100011216819 [0,1,0,0,0,0|3,0,0]=4 2157 B12R0.114 C=CCC(C)C(=O)NCCCOC 1626a_100150723488_100011216819 [0,1,0,0,0,0|3,0,0]=4 2158 B12R0.114 C=CCC(C)C(=O)NCCCOC 240690a_100150723488_100011216819 [0,1,0,0,0,0|3,0,0]=4 2159 B12R0.114 C=CCC(C)C(=O)NCCCOC 527a_100150723488_100011216819 [0,1,0,0,0,0|3,0,0]=4 2160 B12R0.114 C=CCC(C)C(=O)NCCCSC 11a_100000749238_100011216819 [0,1,0,0,0,0|3,0,0]=4 2161 B12R0.114 C=CCC(C)C(=O)NCCCSC 1626a_100000749238_100011216819 [0,1,0,0,0,0|3,0,0]=4 2162 B12R0.114 C=CCC(C)C(=O)NCCCSC 240690a_100000749238_100011216819 [0,1,0,0,0,0|3,0,0]=4 2163 B12R0.114 C=CCC(C)C(=O)NCCCSC 527a_100000749238_100011216819 [0,1,0,0,0,0|3,0,0]=4 2164 B12R0.114 C=CCC(C)C(=O)NCCOCC 11a_100011200944_100011216819 [0,1,0,0,0,0|3,0,0]=4 2165 B12R0.114 C=CCC(C)C(=O)NCCOCC 1626a_102516460346_100011216819 [0,1,0,0,0,0|3,0,0]=4 2166 B12R0.114 C=CCC(C)C(=O)NCCOCC 240690a_100011200944_100011216819 [0,1,0,0,0,0|3,0,0]=4 2167 B12R0.114 C=CCC(C)C(=O)NCCOCC 527a_100011200944_100011216819 [0,1,0,0,0,0|3,0,0]=4 2168 B12R0.114 C=CCC(C)C(=O)NCCSCC 11a_100000106463_100011216819 [0,1,0,0,0,0|3,0,0]=4 2169 B12R0.114 C=CCC(C)C(=O)NCCSCC 1626a_100000106463_100011216819 [0,1,0,0,0,0|3,0,0]=4 2170 B12R0.114 C=CCC(C)C(=O)NCCSCC 240690a_100000106463_100011216819 [0,1,0,0,0,0|3,0,0]=4 2171 B12R0.114 C=CCC(C)C(=O)NCCSCC 527a_100000106463_100011216819 [0,1,0,0,0,0|3,0,0]=4 2172 B12R0.114 C=CCC(C)C(=O)NNCCCC 22a_100025702795_100011216819 [0,1,0,0,0,0|3,0,0]=4 2173 B12R0.114 C=CCCCCC(=O)C(C)CC=C 1458a_100011216819_100011215482 [0,1,0,0,0,0|1,0,2]=4 2174 B12R0.114 C=CCCCCC(=O)N(C)CC=C 11a_100000225617_100011215552 [0,1,0,0,0,0|1,0,2]=4 2175 B12R0.114 C=CCCCCC(=O)N(C)CC=C 1626a_100000225617_100011215552 [0,1,0,0,0,0|1,0,2]=4 2176 B12R0.114 C=CCCCCC(=O)N(C)CC=C 240690a_100000225617_100011215552 [0,1,0,0,0,0|1,0,2]=4 2177 B12R0.114 C=CCCCCC(=O)N(C)CC=C 527a_100000225617_100011215552 [0,1,0,0,0,0|1,0,2]=4 2178 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 11a_100000225617_200016266809 [0,1,0,0,0,0|1,0,2]=4 2179 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 1626a_100000225617_200016266809 [0,1,0,0,0,0|1,0,2]=4 2180 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 240690a_100000225617_200016266809 [0,1,0,0,0,0|1,0,2]=4 2181 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 527a_100000225617_200016266809 [0,1,0,0,0,0|1,0,2]=4 2182 B12R0.114 C=CCN(C)C(=O)C=CCCCC 11a_100000225617_100016266645 [0,1,0,0,0,0|1,0,2]=4 2183 B12R0.114 C=CCN(C)C(=O)C=CCCCC 1626a_100000225617_100016266645 [0,1,0,0,0,0|1,0,2]=4 2184 B12R0.114 C=CCN(C)C(=O)C=CCCCC 240690a_100000225617_100016266645 [0,1,0,0,0,0|1,0,2]=4 2185 B12R0.114 C=CCN(C)C(=O)CCCCCC 11a_100000225617_100102632555 [0,1,0,0,0,0|1,0,0]=2 2186 B12R0.114 C=CCN(C)C(=O)CCCCCC 1626a_100000225617_100102632555 [0,1,0,0,0,0|1,0,0]=2 2187 B12R0.114 C=CCN(C)C(=O)CCCCCC 240690a_100000225617_100102632555 [0,1,0,0,0,0|1,0,0]=2 2188 B12R0.114 C=CCN(C)C(=O)CCCCCC 527a_100000225617_100102632555 [0,1,0,0,0,0|1,0,0]=2 2189 B12R0.114 C=CCN(C)C(=O)CCCCCO 240690a_100000225617_100102619762 [0,1,0,0,0,0|2,0,0]=3 2190 B12R0.114 C=CCN(C)C(=O)CCOCCO 1626a_100000225617_100011229844 [0,1,0,0,0,0|3,0,0]=4 2191 B12R0.114 C=CCN(C)C(=O)CCOCCO 240690a_100000225617_100011229844 [0,1,0,0,0,0|3,0,0]=4 2192 B12R0.114 C=CCN(C)C(=O)COCCCC 11a_100000225617_100000757543 [0,1,0,0,0,0|2,0,0]=3 2193 B12R0.114 C=CCN(C)C(=O)COCCCC 1626a_100000225617_100000757543 [0,1,0,0,0,0|2,0,0]=3 2194 B12R0.114 C=CCN(C)C(=O)COCCCC 240690a_100000225617_100000757543 [0,1,0,0,0,0|2,0,0]=3 2195 B12R0.114 C=CCN(C)C(=O)COCCCC 527a_100000225617_100000757543 [0,1,0,0,0,0|2,0,0]=3 2196 B12R0.114 C=CCN(C)C(=O)COCCOC 11a_100000225617_100000211095 [0,1,0,0,0,0|3,0,0]=4 2197 B12R0.114 C=CCN(C)C(=O)COCCOC 1626a_100000225617_100000211095 [0,1,0,0,0,0|3,0,0]=4 2198 B12R0.114 C=CCN(C)C(=O)COCCOC 240690a_100000225617_100000211095 [0,1,0,0,0,0|3,0,0]=4 2199 B12R0.114 C=CCN(C)C(=O)COCCOC 527a_100000225617_100000211095 [0,1,0,0,0,0|3,0,0]=4 2200 B12R0.114 C=CCN(C)C(=O)CSCCCC 11a_100000225617_100000191162 [0,1,0,0,0,0|2,0,0]=3 2201 B12R0.114 C=CCN(C)C(=O)CSCCCC 1626a_100000225617_100000191162 [0,1,0,0,0,0|2,0,0]=3 2202 B12R0.114 C=CCN(C)C(=O)CSCCCC 240690a_100000225617_100000191162 [0,1,0,0,0,0|2,0,0]=3 2203 B12R0.114 C=CCN(C)C(=O)CSCCCC 527a_100000225617_100000191162 [0,1,0,0,0,0|2,0,0]=3 2204 B12R0.114 C=CCN(C)C(=O)NCCCCC 2708a_100000209983_100000225617 [0,1,0,0,0,0|2,0,0]=3 2205 B12R0.114 C=CCN(C)C(=O)NCCCCC 273464a_100000209983_100000225617 [0,1,0,0,0,0|2,0,0]=3 2206 B12R0.114 C=CCN(C)C(=O)NCCCCO 2708a_100000750430_100000225617 [0,1,0,0,0,0|3,0,0]=4 2207 B12R0.114 C=CCN(C)C(=O)NCCCCO 273464a_100000750430_100000225617 [0,1,0,0,0,0|3,0,0]=4 2208 B12R0.114 C=CCN(C)C(=O)NCCCOC 2708a_100150723488_100000225617 [0,1,0,0,0,0|3,0,0]=4 2209 B12R0.114 C=CCN(C)C(=O)NCCCOC 273464a_100150723488_100000225617 [0,1,0,0,0,0|3,0,0]=4 2210 B12R0.114 C=CCN(C)C(=O)NCCCSC 2708a_100000749238_100000225617 [0,1,0,0,0,0|3,0,0]=4 2211 B12R0.114 C=CCN(C)C(=O)NCCCSC 273464a_100000749238_100000225617 [0,1,0,0,0,0|3,0,0]=4 2212 B12R0.114 C=CCN(C)C(=O)NCCOCC 2708a_100011200944_100000225617 [0,1,0,0,0,0|3,0,0]=4 2213 B12R0.114 C=CCN(C)C(=O)NCCOCC 273464a_102516460346_100000225617 [0,1,0,0,0,0|3,0,0]=4 2214 B12R0.114 C=CCN(C)C(=O)NCCSCC 2708a_100000106463_100000225617 [0,1,0,0,0,0|3,0,0]=4 2215 B12R0.114 C=CCN(C)C(=O)NCCSCC 273464a_100000106463_100000225617 [0,1,0,0,0,0|3,0,0]=4 2216 B12R0.114 C=CCN(C)C(C)CCCCCC 2230a_100000225617_100011215978 [0,1,0,0,0,0|2,0,1]=4 2217 B12R0.114 C=CCN(C)C(C)CCCCCC 269982a_100000225617_100011215978 [0,1,0,0,0,0|2,0,1]=4 2218 B12R0.114 C=CCN(C)C(C)CCCCCC 270004a_100000225617_100000210826 [0,1,0,0,0,0|2,0,1]=4 2219 B12R0.114 CCCCCCC(=O)C(C)CC#N 1458a_100102632555_100009813641 [0,1,0,0,0,0|2,0,1]=4 2220 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,1,0,0,0,0|1,0,2]=4 2221 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,1,0,0,0,0|1,0,2]=4 2222 B12R0.114 CCCCCCC(=O)C(C)CCO 1458a_100102632555_100009893172 [0,1,0,0,0,0|2,0,1]=4 2223 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100000751857_100000210757 [0,1,0,0,0,0|2,0,1]=4 2224 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100102632555_100000765312 [0,1,0,0,0,0|2,0,1]=4 2225 B12R0.114 CCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210757 [0,1,0,0,0,0|2,0,1]=4 2226 B12R0.114 CCCCCCC(=O)N(C)CC#N 11a_100000748184_100102632555 [0,1,0,0,0,0|2,0,1]=4 2227 B12R0.114 CCCCCCC(=O)N(C)CC#N 1626a_100000748184_100102632555 [0,1,0,0,0,0|2,0,1]=4 2228 B12R0.114 CCCCCCC(=O)N(C)CCC 11a_100000747261_100102632555 [0,1,0,0,0,0|1,0,2]=4 2229 B12R0.114 CCCCCCC(=O)N(C)CCC 1626a_100000747261_100102632555 [0,1,0,0,0,0|1,0,2]=4 2230 B12R0.114 CCCCCCC(=O)N(C)CCC 240690a_100000747261_100102632555 [0,1,0,0,0,0|1,0,2]=4 2231 B12R0.114 CCCCCCC(=O)N(C)CCC 527a_100000747261_100102632555 [0,1,0,0,0,0|1,0,2]=4 2232 B12R0.114 CCCCCCC(=O)N(C)CCO 240690a_100000210263_100102632555 [0,1,0,0,0,0|2,0,1]=4 2233 B12R0.114 CCCCCCC(=O)N(C)CCO 527a_100000210263_100102632555 [0,1,0,0,0,0|2,0,1]=4 2234 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,1,0,0,0,0|1,0,2]=4 2235 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,1,0,0,0,0|1,0,2]=4 2236 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,1,0,0,0,0|1,0,2]=4 2237 B12R0.206 C#CCCC(=O)CCCCCCF 1458a_100000692101_100015922095 [0,1,0,0,0,0|1,0,2]=4 2238 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,1,0,0,0,0|1,0,2]=4 2239 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,1,0,0,0,0|1,0,2]=4 2240 B12R0.206 C#CCCC(=O)CCCCCOC 1458a_100011935119_100000753159 [0,1,0,0,0,0|1,0,2]=4 2241 B12R0.206 C#CCCC(=O)CCOCCCC 1458a_100000692101_100000743108 [0,1,0,0,0,0|1,0,2]=4 2242 B12R0.206 C#CCCC(=O)CCOCCCC 34a_100011064465_100000210210 [0,1,0,0,0,0|1,0,2]=4 2243 B12R0.206 C#CCCC(=O)CCOCCCC 7a_100011064465_100000210211 [0,1,0,0,0,0|1,0,2]=4 2244 B12R0.206 C#CCCC(=O)NCCCCCC 11a_100000210581_100000692101 [0,1,0,0,0,0|1,0,2]=4 2245 B12R0.206 C#CCCC(=O)NCCCCCC 1626a_100000210581_100000692101 [0,1,0,0,0,0|1,0,2]=4 2246 B12R0.206 C#CCCC(=O)NCCCCCC 240690a_100000210581_100000692101 [0,1,0,0,0,0|1,0,2]=4 2247 B12R0.206 C#CCCC(=O)NCCCCCC 527a_100000210581_100000692101 [0,1,0,0,0,0|1,0,2]=4 2248 B12R0.206 C#CCCCCCC(=O)C=CC=C 1458a_100016291481_100012094781 [0,1,0,0,0,0|1,0,2]=4 2249 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000694772_100000754431 [0,1,0,0,0,0|1,0,1]=3 2250 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000749702_100012094781 [0,1,0,0,0,0|1,0,1]=3 2251 B12R0.206 C#CCCCCCC(=O)NCC=C 1626a_100020586998_100000694772 [0,1,0,0,0,0|1,0,1]=3 2252 B12R0.206 C#CCCCCCC(=O)NCC=C 240690a_100020586998_100000694772 [0,1,0,0,0,0|1,0,1]=3 2253 B12R0.206 C#CCCCCCC(=O)NCC=C 527a_100020586998_100000694772 [0,1,0,0,0,0|1,0,1]=3 2254 B12R0.206 C#CCCCCNC(=O)CCC=C 11a_100000706060_100000749702 [0,1,0,0,0,0|1,0,2]=4 2255 B12R0.206 C#CCCCCNC(=O)CCC=C 1626a_100000706060_100000749702 [0,1,0,0,0,0|1,0,2]=4 2256 B12R0.206 C#CCCCCNC(=O)CCC=C 240690a_100000706060_100000749702 [0,1,0,0,0,0|1,0,2]=4 2257 B12R0.206 C#CCCCCNC(=O)CCC=C 527a_100000706060_100000749702 [0,1,0,0,0,0|1,0,2]=4 2258 B12R0.206 C#CCCCCNC(=O)NCC=C 2708a_100000706060_100020586998 [0,1,0,0,0,0|1,0,2]=4 2259 B12R0.206 C#CCCCCNC(=O)NCC=C 273464a_100000706060_100020586998 [0,1,0,0,0,0|1,0,2]=4 2260 B12R0.206 C#CCCCCNC(=O)NCC=C 273464a_100020586998_100000706060 [0,1,0,0,0,0|1,0,2]=4 2261 B12R0.206 C#CCCCCNC(=O)NCC=C 512a_100000706060_100020586998 [0,1,0,0,0,0|1,0,2]=4 2262 B12R0.206 C#CCCCCNC(=O)NCC=C 512a_100020586998_100000706060 [0,1,0,0,0,0|1,0,2]=4 2263 B12R0.206 C#CCCCNCC(=O)OCC=C 34a_100000718082_100000033060 [0,1,0,0,0,0|0,0,2]=3 2264 B12R0.206 C#CCCCOCC(=O)NCC=C 7a_100000215630_100000183597 [0,1,0,0,0,0|1,0,2]=4 2265 B12R0.206 C#CCCCOCC(=O)OCC=C 34a_100000215630_100000033060 [0,1,0,0,0,0|0,0,2]=3 2266 B12R0.206 C#CCCCOCC(=O)OCC=C 7a_100000215630_100000033060 [0,1,0,0,0,0|0,0,2]=3 2267 B12R0.206 C#CCCCSCC(=O)NCC=C 62a_100000183597_100011215417 [0,1,0,0,0,0|1,0,2]=4 2268 B12R0.206 C#CCCCSCC(=O)NCC=C 62a_100011215417_100000183597 [0,1,0,0,0,0|1,0,2]=4 2269 B12R0.206 C#CCCCSCC(=O)OCC=C 62a_100000033060_100011215417 [0,1,0,0,0,0|0,0,2]=3 2270 B12R0.206 C#CCCCSCC(=O)OCC=C 62a_100011215417_100000033060 [0,1,0,0,0,0|0,0,2]=3 2271 B12R0.206 C#CCCSCCC(=O)NCC=C 62a_100000688953_100011222895 [0,1,0,0,0,0|1,0,2]=4 2272 B12R0.206 C#CCCSCCC(=O)NCC=C 62a_100011222895_100000688953 [0,1,0,0,0,0|1,0,2]=4 2273 B12R0.206 C#CCNC(=O)CCCCCCC 11a_100000212058_100000211969 [0,1,0,0,0,0|1,0,2]=4 2274 B12R0.206 C#CCNC(=O)CCCCCCC 1626a_100000212058_100000211969 [0,1,0,0,0,0|1,0,2]=4 2275 B12R0.206 C#CCNC(=O)CCCCCCC 240690a_100000212058_100000211969 [0,1,0,0,0,0|1,0,2]=4 2276 B12R0.206 C#CCNC(=O)CCCCCCC 527a_100000212058_100000211969 [0,1,0,0,0,0|1,0,2]=4 2277 B12R0.206 C#CCNC(=O)CCCCCCO 240690a_100000212058_100011996774 [0,1,0,0,0,0|1,0,2]=4 2278 B12R0.206 C#CCNC(=O)CCCCCOC 11a_100000212058_100011935119 [0,1,0,0,0,0|1,0,2]=4 2279 B12R0.206 C#CCNC(=O)CCCCCOC 1626a_100000212058_100011935119 [0,1,0,0,0,0|1,0,2]=4 2280 B12R0.206 C#CCNC(=O)CCCCCOC 240690a_100000212058_100011935119 [0,1,0,0,0,0|1,0,2]=4 2281 B12R0.206 C#CCNC(=O)CCCCCOC 527a_100000212058_100011935119 [0,1,0,0,0,0|1,0,2]=4 2282 B12R0.206 C#CCNC(=O)CNCCCCC 2230a_100000747989_100000210326 [0,1,0,0,0,0|1,0,2]=4 2283 B12R0.206 C#CCNC(=O)CNCCCCC 34a_100000747989_100000718602 [0,1,0,0,0,0|1,0,2]=4 2284 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000210581_100000212058 [0,1,0,0,0,0|1,0,2]=4 2285 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000212058_100000210581 [0,1,0,0,0,0|1,0,2]=4 2286 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000210581_100000212058 [0,1,0,0,0,0|1,0,2]=4 2287 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000212058_100000210581 [0,1,0,0,0,0|1,0,2]=4 2288 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000210581_100000212058 [0,1,0,0,0,0|1,0,2]=4 2289 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000212058_100000210581 [0,1,0,0,0,0|1,0,2]=4 2290 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,1,0,0,0,0|1,0,2]=4 2291 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,1,0,0,0,0|1,0,2]=4 2292 B12R0.206 C/C=C/CC(=O)CCCCCOC 1458a_100011935119_100102629194 [0,1,0,0,0,0|1,0,2]=4 2293 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,1,0,0,0,0|2,0,1]=4 2294 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [0,1,0,0,0,0|2,0,1]=4 2295 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [0,1,0,0,0,0|2,0,1]=4 2296 B12R0.206 C=CC=CC(=O)CCCCCC#N 1458a_100016291481_100009813376 [0,1,0,0,0,0|1,0,2]=4 2297 B12R0.206 C=CC=CC(=O)CCCCCC=C 1458a_100016291481_100000700193 [0,1,0,0,0,0|1,0,2]=4 2298 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,1,0,0,0,0|1,0,1]=3 2299 B12R0.206 C=CC=CC(=O)CCCCCCF 1458a_100016291481_100015922095 [0,1,0,0,0,0|1,0,1]=3 2300 B12R0.206 C=CC=CC(=O)CCCCCCO 1458a_100016291481_100000766143 [0,1,0,0,0,0|1,0,1]=3 2301 B12R0.206 C=CC=CC(=O)CCOCCCC 1458a_100016291481_100000743108 [0,1,0,0,0,0|1,0,1]=3 2302 B12R0.206 C=CC=CC(=O)CCOCCOC 1458a_100016291481_100000695917 [0,1,0,0,0,0|2,0,1]=4 2303 B12R0.206 C=CC=CC(=O)NCCCCCC 1626a_100000210581_100016291481 [0,1,0,0,0,0|1,0,1]=3 2304 B12R0.206 C=CC=CC(=O)NCCCOCC 1626a_100000210961_100016291481 [0,1,0,0,0,0|2,0,1]=4 2305 B12R0.206 C=CC=CC(=O)NCCOCCC 1626a_100161115042_100016291481 [0,1,0,0,0,0|2,0,1]=4 2306 B12R0.206 C=CC=CC(=O)NNCCCCC 22a_100000694160_100016291481 [0,1,0,0,0,0|2,0,1]=4 2307 B12R0.206 C=CCCC(=NNCCCCC)C 4a_100000694160_100000762624 [0,1,0,0,0,0|3,0,0]=4 2308 B12R0.206 C=CCCC(=O)C#CCCCCC 1458a_100011215388_100000754431 [0,1,0,0,0,0|1,0,1]=3 2309 B12R0.206 C=CCCC(=O)C/C=C/CCCC 1458a_200016282684_100000754431 [0,1,0,0,0,0|1,0,1]=3 2310 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,1,0,0,0,0|1,0,1]=3 2311 B12R0.206 C=CCCC(=O)CCCCCC#N 1458a_100000749702_100009813376 [0,1,0,0,0,0|1,0,1]=3 2312 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,0,0,0,0|1,0,0]=2 2313 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,0,0,0,0|1,0,0]=2 2314 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,1,0,0,0,0|1,0,0]=2 2315 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,1,0,0,0,0|1,0,0]=2 2316 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,1,0,0,0,0|1,0,0]=2 2317 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,1,0,0,0,0|1,0,0]=2 2318 B12R0.206 C=CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000754431 [0,1,0,0,0,0|3,0,0]=4 2319 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,1,0,0,0,0|1,0,0]=2 2320 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000745395_100000754431 [0,1,0,0,0,0|2,0,0]=3 2321 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000749702_100000695917 [0,1,0,0,0,0|2,0,0]=3 2322 B12R0.206 C=CCCC(=O)NCCCCC#N 11a_100000751965_100000749702 [0,1,0,0,0,0|2,0,1]=4 2323 B12R0.206 C=CCCC(=O)NCCCCC#N 1626a_100000751965_100000749702 [0,1,0,0,0,0|2,0,1]=4 2324 B12R0.206 C=CCCC(=O)NCCCCC#N 240690a_100000751965_100000749702 [0,1,0,0,0,0|2,0,1]=4 2325 B12R0.206 C=CCCC(=O)NCCCCC#N 527a_100000751965_100000749702 [0,1,0,0,0,0|2,0,1]=4 2326 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,1,0,0,0,0|1,0,0]=2 2327 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,1,0,0,0,0|1,0,0]=2 2328 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,1,0,0,0,0|1,0,0]=2 2329 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,1,0,0,0,0|1,0,0]=2 2330 B12R0.206 C=CCCC(=O)NCCCCCO 240690a_100000762737_100000749702 [0,1,0,0,0,0|2,0,0]=3 2331 B12R0.206 C=CCCC(=O)NCCCOCC 11a_100000210961_100000749702 [0,1,0,0,0,0|2,0,0]=3 2332 B12R0.206 C=CCCC(=O)NCCCOCC 1626a_100000210961_100000749702 [0,1,0,0,0,0|2,0,0]=3 2333 B12R0.206 C=CCCC(=O)NCCCOCC 240690a_100000210961_100000749702 [0,1,0,0,0,0|2,0,0]=3 2334 B12R0.206 C=CCCC(=O)NCCCOCC 527a_100000210961_100000749702 [0,1,0,0,0,0|2,0,0]=3 2335 B12R0.206 C=CCCC(=O)NCCOCCC 1626a_100161115042_100000749702 [0,1,0,0,0,0|2,0,0]=3 2336 B12R0.206 C=CCCC(=O)NCCOCCC 240690a_100161115042_100000749702 [0,1,0,0,0,0|2,0,0]=3 2337 B12R0.206 C=CCCC(=O)NCCOCCC 527a_100161115042_100000749702 [0,1,0,0,0,0|2,0,0]=3 2338 B12R0.206 C=CCCC(=O)NCCOCCO 240690a_100000211614_100000749702 [0,1,0,0,0,0|3,0,0]=4 2339 B12R0.206 C=CCCC(=O)NCCSCCC 11a_100020603323_100000749702 [0,1,0,0,0,0|2,0,0]=3 2340 B12R0.206 C=CCCC(=O)NCCSCCC 240690a_100020603323_100000749702 [0,1,0,0,0,0|2,0,0]=3 2341 B12R0.206 C=CCCC(=O)NCCSCCC 527a_100020603323_100000749702 [0,1,0,0,0,0|2,0,0]=3 2342 B12R0.206 C=CCCC(=O)NCCSCCO 240690a_100011219999_100000749702 [0,1,0,0,0,0|3,0,0]=4 2343 B12R0.206 C=CCCC(=O)NCCSCCO 527a_100011219999_100000749702 [0,1,0,0,0,0|3,0,0]=4 2344 B12R0.206 C=CCCC(=O)NNCCCCC 22a_100000694160_100000749702 [0,1,0,0,0,0|2,0,0]=3 2345 B12R0.206 C=CCCC(=O)NNCCCOC 22a_100025702787_100000749702 [0,1,0,0,0,0|3,0,0]=4 2346 B12R0.206 C=CCCC(=O)NNCCOCC 22a_100000732670_100000749702 [0,1,0,0,0,0|3,0,0]=4 2347 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,1,0,0,0,0|2,0,1]=4 2348 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,1,0,0,0,0|2,0,1]=4 2349 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,1,0,0,0,0|2,0,1]=4 2350 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100000749702_100000700193 [0,1,0,0,0,0|1,0,1]=3 2351 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100011934241_100000754431 [0,1,0,0,0,0|1,0,1]=3 2352 B12R0.206 C=CCCCCCC(=O)NCC=C 1626a_100020586998_100011934241 [0,1,0,0,0,0|1,0,1]=3 2353 B12R0.206 C=CCCCCCC(=O)NCC=C 240690a_100020586998_100011934241 [0,1,0,0,0,0|1,0,1]=3 2354 B12R0.206 C=CCCCCCC(=O)NCC=C 527a_100020586998_100011934241 [0,1,0,0,0,0|1,0,1]=3 2355 B12R0.206 C=CCCCCNC(=O)CCC=C 11a_100000703577_100000749702 [0,1,0,0,0,0|1,0,2]=4 2356 B12R0.206 C=CCCCCNC(=O)CCC=C 1626a_100000703577_100000749702 [0,1,0,0,0,0|1,0,2]=4 2357 B12R0.206 C=CCCCCNC(=O)CCC=C 240690a_100000703577_100000749702 [0,1,0,0,0,0|1,0,2]=4 2358 B12R0.206 C=CCCCCNC(=O)CCC=C 527a_100000703577_100000749702 [0,1,0,0,0,0|1,0,2]=4 2359 B12R0.206 C=CCCCCNC(=O)NCC=C 2708a_100000703577_100020586998 [0,1,0,0,0,0|1,0,2]=4 2360 B12R0.206 C=CCCCCNC(=O)NCC=C 273464a_100000703577_100020586998 [0,1,0,0,0,0|1,0,2]=4 2361 B12R0.206 C=CCCCCNC(=O)NCC=C 273464a_100020586998_100000703577 [0,1,0,0,0,0|1,0,2]=4 2362 B12R0.206 C=CCCCCNC(=O)NCC=C 512a_100000703577_100020586998 [0,1,0,0,0,0|1,0,2]=4 2363 B12R0.206 C=CCCCCNC(=O)NCC=C 512a_100020586998_100000703577 [0,1,0,0,0,0|1,0,2]=4 2364 B12R0.206 C=CCCCNCC(=O)NCC=C 2230a_100000700776_100000183597 [0,1,0,0,0,0|1,0,2]=4 2365 B12R0.206 C=CCCCNCC(=O)OCC=C 2230a_100000700776_100000033060 [0,1,0,0,0,0|0,0,2]=3 2366 B12R0.206 C=CCCCNCC(=O)OCC=C 34a_100000700776_100000033060 [0,1,0,0,0,0|0,0,2]=3 2367 B12R0.206 C=CCCCOCC(=O)NCC=C 7a_100000758997_100000183597 [0,1,0,0,0,0|1,0,2]=4 2368 B12R0.206 C=CCCCOCC(=O)OCC=C 34a_100000758997_100000033060 [0,1,0,0,0,0|0,0,2]=3 2369 B12R0.206 C=CCCCOCC(=O)OCC=C 7a_100000758997_100000033060 [0,1,0,0,0,0|0,0,2]=3 2370 B12R0.206 C=CCCCSCC(=O)NCC=C 62a_100000183597_100000757094 [0,1,0,0,0,0|1,0,2]=4 2371 B12R0.206 C=CCCCSCC(=O)NCC=C 62a_100011713584_100000183597 [0,1,0,0,0,0|1,0,2]=4 2372 B12R0.206 C=CCCCSCC(=O)OCC=C 62a_100000033060_100000757094 [0,1,0,0,0,0|0,0,2]=3 2373 B12R0.206 C=CCCCSCC(=O)OCC=C 62a_100011713584_100000033060 [0,1,0,0,0,0|0,0,2]=3 2374 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,1,0,0,0,0|3,0,0]=4 2375 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,1,0,0,0,0|3,0,0]=4 2376 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,1,0,0,0,0|3,0,0]=4 2377 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,1,0,0,0,0|3,0,0]=4 2378 B12R0.206 C=CCCN(C)CCCCCCF 2230a_100020639649_100015922095 [0,1,0,0,0,0|3,0,0]=4 2379 B12R0.206 C=CCCN(C)CCCCCCF 269982a_100020639649_100015922095 [0,1,0,0,0,0|3,0,0]=4 2380 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [0,1,0,0,0,0|3,0,0]=4 2381 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [0,1,0,0,0,0|3,0,0]=4 2382 B12R0.206 C=CCCN(C)CCOCCCC 2230a_100020639649_100000743108 [0,1,0,0,0,0|3,0,0]=4 2383 B12R0.206 C=CCCN(C)CCOCCCC 269982a_100020639649_100000743108 [0,1,0,0,0,0|3,0,0]=4 2384 B12R0.206 C=CCCNCCC(=O)NCC=C 2230a_100015191253_100011222895 [0,1,0,0,0,0|1,0,2]=4 2385 B12R0.206 C=CCCSCCC(=O)NCC=C 62a_100000754431_100011222895 [0,1,0,0,0,0|1,0,2]=4 2386 B12R0.206 C=CCCSCCC(=O)NCC=C 62a_100011222895_100000754431 [0,1,0,0,0,0|1,0,2]=4 2387 B12R0.206 C=CCNC(=O)C#CCCCCC 240690a_100020586998_100011215388 [0,1,0,0,0,0|1,0,1]=3 2388 B12R0.206 C=CCNC(=O)C/C=C/CCCC 1626a_100020586998_200016282684 [0,1,0,0,0,0|1,0,1]=3 2389 B12R0.206 C=CCNC(=O)C/C=C/CCCC 240690a_100020586998_200016282684 [0,1,0,0,0,0|1,0,1]=3 2390 B12R0.206 C=CCNC(=O)C/C=C/CCCC 527a_100020586998_200016282684 [0,1,0,0,0,0|1,0,1]=3 2391 B12R0.206 C=CCNC(=O)C=CCCCCC 1626a_100020586998_100016263427 [0,1,0,0,0,0|1,0,1]=3 2392 B12R0.206 C=CCNC(=O)C=CCCCCC 240690a_100020586998_100016263427 [0,1,0,0,0,0|1,0,1]=3 2393 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,1,0,0,0,0|1,0,0]=2 2394 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,1,0,0,0,0|1,0,0]=2 2395 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,1,0,0,0,0|1,0,0]=2 2396 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,1,0,0,0,0|1,0,0]=2 2397 B12R0.206 C=CCNC(=O)CCCCCOC 1626a_100020586998_100011935119 [0,1,0,0,0,0|1,0,0]=2 2398 B12R0.206 C=CCNC(=O)CCCCCOC 240690a_100020586998_100011935119 [0,1,0,0,0,0|1,0,0]=2 2399 B12R0.206 C=CCNC(=O)CCCCCOC 527a_100020586998_100011935119 [0,1,0,0,0,0|1,0,0]=2 2400 B12R0.206 C=CCNC(=O)CCCCN=[N+]=[N-] 240690a_100020586998_100000070148 [0,1,0,0,0,0|3,0,0]=4 2401 B12R0.206 C=CCNC(=O)CCCCN=[N+]=[N-] 527a_100020586998_100000070148 [0,1,0,0,0,0|3,0,0]=4 2402 B12R0.206 C=CCNC(=O)CCNCC#CC 2230a_100000685387_100011222895 [0,1,0,0,0,0|1,0,2]=4 2403 B12R0.206 C=CCNC(=O)CCNCCCC 2230a_100000102301_100011222895 [0,1,0,0,0,0|1,0,0]=2 2404 B12R0.206 C=CCNC(=O)CCNCCCC 7a_106832991798_100011222895 [0,1,0,0,0,0|1,0,0]=2 2405 B12R0.206 C=CCNC(=O)CCNCCCF 2230a_100015189416_100011222895 [0,1,0,0,0,0|2,0,0]=3 2406 B12R0.206 C=CCNC(=O)CCNCCOC 2230a_100000209980_100011222895 [0,1,0,0,0,0|2,0,0]=3 2407 B12R0.206 C=CCNC(=O)CCNCCSC 2230a_100020590264_100011222895 [0,1,0,0,0,0|2,0,0]=3 2408 B12R0.206 C=CCNC(=O)CCOCCCC 7a_100000210227_100011222895 [0,1,0,0,0,0|1,0,0]=2 2409 B12R0.206 C=CCNC(=O)CCOCCOC 1626a_100020586998_100000745395 [0,1,0,0,0,0|2,0,0]=3 2410 B12R0.206 C=CCNC(=O)CCOCCOC 240690a_100020586998_100000745395 [0,1,0,0,0,0|2,0,0]=3 2411 B12R0.206 C=CCNC(=O)CCOCCOC 527a_100020586998_100000745395 [0,1,0,0,0,0|2,0,0]=3 2412 B12R0.206 C=CCNC(=O)CCOCCSC 7a_100000230434_100011222895 [0,1,0,0,0,0|2,0,0]=3 2413 B12R0.206 C=CCNC(=O)CCSC/C=C/C 62a_100011222895_100102629194 [0,1,0,0,0,0|1,0,2]=4 2414 B12R0.206 C=CCNC(=O)CCSC/C=C/C 62a_100102629194_100011222895 [0,1,0,0,0,0|1,0,2]=4 2415 B12R0.206 C=CCNC(=O)CCSCC#CC 62a_100000748600_100011222895 [0,1,0,0,0,0|1,0,2]=4 2416 B12R0.206 C=CCNC(=O)CCSCC#CC 62a_100011222895_100000748600 [0,1,0,0,0,0|1,0,2]=4 2417 B12R0.206 C=CCNC(=O)CCSCC=CC 62a_100000070051_100011222895 [0,1,0,0,0,0|1,0,2]=4 2418 B12R0.206 C=CCNC(=O)CCSCC=CC 62a_100011222895_100000070051 [0,1,0,0,0,0|1,0,2]=4 2419 B12R0.206 C=CCNC(=O)CCSCCC#N 62a_100011215226_100011222895 [0,1,0,0,0,0|2,0,1]=4 2420 B12R0.206 C=CCNC(=O)CCSCCC#N 62a_100011222895_100011215226 [0,1,0,0,0,0|2,0,1]=4 2421 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100000210211_100011222895 [0,1,0,0,0,0|1,0,0]=2 2422 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100011222895_100000210210 [0,1,0,0,0,0|1,0,0]=2 2423 B12R0.206 C=CCNC(=O)CCSCCCF 62a_100011222895_100011934791 [0,1,0,0,0,0|2,0,0]=3 2424 B12R0.206 C=CCNC(=O)CCSCCCF 62a_100011934791_100011222895 [0,1,0,0,0,0|2,0,0]=3 2425 B12R0.206 C=CCNC(=O)CCSCCCO 62a_100011215043_100011222895 [0,1,0,0,0,0|2,0,0]=3 2426 B12R0.206 C=CCNC(=O)CCSCCCO 62a_100011222895_100011215043 [0,1,0,0,0,0|2,0,0]=3 2427 B12R0.206 C=CCNC(=O)CCSCCOC 62a_100000233755_100011222895 [0,1,0,0,0,0|2,0,0]=3 2428 B12R0.206 C=CCNC(=O)CCSCCOC 62a_100011222895_100000233755 [0,1,0,0,0,0|2,0,0]=3 2429 B12R0.206 C=CCNC(=O)CCSCCSC 62a_100000212216_100011222895 [0,1,0,0,0,0|2,0,0]=3 2430 B12R0.206 C=CCNC(=O)CCSCCSC 62a_100011222895_100000751147 [0,1,0,0,0,0|2,0,0]=3 2431 B12R0.206 C=CCNC(=O)CCSCOCC 62a_100000739092_100011222895 [0,1,0,0,0,0|2,0,0]=3 2432 B12R0.206 C=CCNC(=O)CCSCOCC 62a_100011222895_100000739092 [0,1,0,0,0,0|2,0,0]=3 2433 B12R0.206 C=CCNC(=O)CNCCCCC 2230a_100000209983_100000183597 [0,1,0,0,0,0|1,0,0]=2 2434 B12R0.206 C=CCNC(=O)CNCCCCO 2230a_100000750430_100000183597 [0,1,0,0,0,0|2,0,0]=3 2435 B12R0.206 C=CCNC(=O)CNCCCSC 2230a_100000749238_100000183597 [0,1,0,0,0,0|2,0,0]=3 2436 B12R0.206 C=CCNC(=O)CNCCOCC 2230a_102516460346_100000183597 [0,1,0,0,0,0|2,0,0]=3 2437 B12R0.206 C=CCNC(=O)CNCCSCC 2230a_100000106463_100000183597 [0,1,0,0,0,0|2,0,0]=3 2438 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,1,0,0,0,0|1,0,0]=2 2439 B12R0.206 C=CCNC(=O)COCCCCCl 7a_100000210776_100000183597 [0,1,0,0,0,0|2,0,0]=3 2440 B12R0.206 C=CCNC(=O)COCCCCF 7a_100011995726_100000183597 [0,1,0,0,0,0|2,0,0]=3 2441 B12R0.206 C=CCNC(=O)COCCCSC 7a_100000690336_100000183597 [0,1,0,0,0,0|2,0,0]=3 2442 B12R0.206 C=CCNC(=O)COCCOCC 7a_100000210136_100000183597 [0,1,0,0,0,0|2,0,0]=3 2443 B12R0.206 C=CCNC(=O)COCCSCC 7a_100000212035_100000183597 [0,1,0,0,0,0|2,0,0]=3 2444 B12R0.206 C=CCNC(=O)CSC/C=C\CC 62a_100000183597_100103147603 [0,1,0,0,0,0|1,0,2]=4 2445 B12R0.206 C=CCNC(=O)CSC/C=C\CC 62a_100103147603_100000183597 [0,1,0,0,0,0|1,0,2]=4 2446 B12R0.206 C=CCNC(=O)CSCC#CCC 62a_100000183597_100009813939 [0,1,0,0,0,0|1,0,2]=4 2447 B12R0.206 C=CCNC(=O)CSCC#CCC 62a_100009813939_100000183597 [0,1,0,0,0,0|1,0,2]=4 2448 B12R0.206 C=CCNC(=O)CSCCCC#N 62a_100000183597_100000687738 [0,1,0,0,0,0|2,0,1]=4 2449 B12R0.206 C=CCNC(=O)CSCCCC#N 62a_100000687738_100000183597 [0,1,0,0,0,0|2,0,1]=4 2450 B12R0.206 C=CCNC(=O)CSCCCC=O 62a_100000183597_200011292268 [0,1,0,0,0,0|2,0,1]=4 2451 B12R0.206 C=CCNC(=O)CSCCCC=O 62a_200011292268_100000183597 [0,1,0,0,0,0|2,0,1]=4 2452 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000183597_100000210326 [0,1,0,0,0,0|1,0,0]=2 2453 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000210326_100000183597 [0,1,0,0,0,0|1,0,0]=2 2454 B12R0.206 C=CCNC(=O)CSCCCCF 62a_100000183597_100000729493 [0,1,0,0,0,0|2,0,0]=3 2455 B12R0.206 C=CCNC(=O)CSCCCCF 62a_100000729493_100000183597 [0,1,0,0,0,0|2,0,0]=3 2456 B12R0.206 C=CCNC(=O)CSCCCCO 62a_100000183597_100000210776 [0,1,0,0,0,0|2,0,0]=3 2457 B12R0.206 C=CCNC(=O)CSCCCCO 62a_100000210776_100000183597 [0,1,0,0,0,0|2,0,0]=3 2458 B12R0.206 C=CCNC(=O)CSCCCOC 62a_100000183597_100000709357 [0,1,0,0,0,0|2,0,0]=3 2459 B12R0.206 C=CCNC(=O)CSCCCOC 62a_100000709357_100000183597 [0,1,0,0,0,0|2,0,0]=3 2460 B12R0.206 C=CCNC(=O)CSCCOCC 62a_100000183597_100011215890 [0,1,0,0,0,0|2,0,0]=3 2461 B12R0.206 C=CCNC(=O)CSCCOCC 62a_100000210147_100000183597 [0,1,0,0,0,0|2,0,0]=3 2462 B12R0.206 C=CCNC(=O)CSCCSCC 62a_100000183597_100000757381 [0,1,0,0,0,0|2,0,0]=3 2463 B12R0.206 C=CCNC(=O)CSCCSCC 62a_100000757381_100000183597 [0,1,0,0,0,0|2,0,0]=3 2464 B12R0.206 C=CCNC(=O)NCCCCC#N 2708a_100000751965_100020586998 [0,1,0,0,0,0|2,0,1]=4 2465 B12R0.206 C=CCNC(=O)NCCCCC#N 273464a_100000751965_100020586998 [0,1,0,0,0,0|2,0,1]=4 2466 B12R0.206 C=CCNC(=O)NCCCCC#N 273464a_100020586998_100000751965 [0,1,0,0,0,0|2,0,1]=4 2467 B12R0.206 C=CCNC(=O)NCCCCC#N 512a_100000751965_100020586998 [0,1,0,0,0,0|2,0,1]=4 2468 B12R0.206 C=CCNC(=O)NCCCCC#N 512a_100020586998_100000751965 [0,1,0,0,0,0|2,0,1]=4 2469 B12R0.206 C=CCNC(=O)NCCCCCC 2708a_100000210581_100020586998 [0,1,0,0,0,0|1,0,0]=2 2470 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100000210581_100020586998 [0,1,0,0,0,0|1,0,0]=2 2471 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100020586998_100000210581 [0,1,0,0,0,0|1,0,0]=2 2472 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100000210581_100020586998 [0,1,0,0,0,0|1,0,0]=2 2473 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100020586998_100000210581 [0,1,0,0,0,0|1,0,0]=2 2474 B12R0.206 C=CCNC(=O)NCCCCCO 273464a_100000762737_100020586998 [0,1,0,0,0,0|2,0,0]=3 2475 B12R0.206 C=CCNC(=O)NCCCCCO 273464a_100020586998_100000762737 [0,1,0,0,0,0|2,0,0]=3 2476 B12R0.206 C=CCNC(=O)NCCCCCO 512a_100000762737_100020586998 [0,1,0,0,0,0|2,0,0]=3 2477 B12R0.206 C=CCNC(=O)NCCCCCO 512a_100020586998_100000762737 [0,1,0,0,0,0|2,0,0]=3 2478 B12R0.206 C=CCNC(=O)NCCCOCC 2708a_100000210961_100020586998 [0,1,0,0,0,0|2,0,0]=3 2479 B12R0.206 C=CCNC(=O)NCCCOCC 273464a_100000210961_100020586998 [0,1,0,0,0,0|2,0,0]=3 2480 B12R0.206 C=CCNC(=O)NCCCOCC 273464a_100020586998_100000210961 [0,1,0,0,0,0|2,0,0]=3 2481 B12R0.206 C=CCNC(=O)NCCCOCC 512a_100000210961_100020586998 [0,1,0,0,0,0|2,0,0]=3 2482 B12R0.206 C=CCNC(=O)NCCCOCC 512a_100020586998_100000210961 [0,1,0,0,0,0|2,0,0]=3 2483 B12R0.206 C=CCNC(=O)NCCOCCC 2708a_100161115042_100020586998 [0,1,0,0,0,0|2,0,0]=3 2484 B12R0.206 C=CCNC(=O)NCCOCCC 273464a_100020586998_100161115042 [0,1,0,0,0,0|2,0,0]=3 2485 B12R0.206 C=CCNC(=O)NCCOCCC 273464a_100161115042_100020586998 [0,1,0,0,0,0|2,0,0]=3 2486 B12R0.206 C=CCNC(=O)NCCOCCC 512a_100020586998_100161115042 [0,1,0,0,0,0|2,0,0]=3 2487 B12R0.206 C=CCNC(=O)NCCOCCC 512a_100161115042_100020586998 [0,1,0,0,0,0|2,0,0]=3 2488 B12R0.206 C=CCNC(=O)NCCOCCO 273464a_100000211614_100020586998 [0,1,0,0,0,0|3,0,0]=4 2489 B12R0.206 C=CCNC(=O)NCCOCCO 273464a_100020586998_100000211614 [0,1,0,0,0,0|3,0,0]=4 2490 B12R0.206 C=CCNC(=O)NCCOCCO 512a_100000211614_100020586998 [0,1,0,0,0,0|3,0,0]=4 2491 B12R0.206 C=CCNC(=O)NCCSCCC 2708a_100020603323_100020586998 [0,1,0,0,0,0|2,0,0]=3 2492 B12R0.206 C=CCNC(=O)NCCSCCC 273464a_100020586998_100020603323 [0,1,0,0,0,0|2,0,0]=3 2493 B12R0.206 C=CCNC(=O)NCCSCCC 273464a_100020603323_100020586998 [0,1,0,0,0,0|2,0,0]=3 2494 B12R0.206 C=CCNC(=O)NCCSCCC 512a_100020586998_100020603323 [0,1,0,0,0,0|2,0,0]=3 2495 B12R0.206 C=CCNC(=O)NCCSCCC 512a_100020603323_100020586998 [0,1,0,0,0,0|2,0,0]=3 2496 B12R0.206 C=CCNC(=O)NCCSCCO 273464a_100011219999_100020586998 [0,1,0,0,0,0|3,0,0]=4 2497 B12R0.206 C=CCNC(=O)NCCSCCO 273464a_100020586998_100011219999 [0,1,0,0,0,0|3,0,0]=4 2498 B12R0.206 C=CCNC(=O)NCCSCCO 512a_100011219999_100020586998 [0,1,0,0,0,0|3,0,0]=4 2499 B12R0.206 C=CCNC(=O)NCCSCCO 512a_100020586998_100011219999 [0,1,0,0,0,0|3,0,0]=4 2500 B12R0.206 C=CCNC(=O)NNCCCCC 273464a_100020586998_100000694160 [0,1,0,0,0,0|2,0,0]=3 2501 B12R0.206 C=CCNC(=O)NNCCCCC 512a_100000694160_100020586998 [0,1,0,0,0,0|2,0,0]=3 2502 B12R0.206 C=CCNC(=O)NNCCCCC 512a_100020586998_100000694160 [0,1,0,0,0,0|2,0,0]=3 2503 B12R0.206 C=CCNC(=O)NNCCCOC 273464a_100020586998_100025702787 [0,1,0,0,0,0|3,0,0]=4 2504 B12R0.206 C=CCNC(=O)NNCCCOC 512a_100020586998_100025702787 [0,1,0,0,0,0|3,0,0]=4 2505 B12R0.206 C=CCNC(=O)NNCCOCC 273464a_100020586998_100000732670 [0,1,0,0,0,0|3,0,0]=4 2506 B12R0.206 C=CCNC(=O)NNCCOCC 512a_100000732670_100020586998 [0,1,0,0,0,0|3,0,0]=4 2507 B12R0.206 C=CCNC(=O)NNCCOCC 512a_100020586998_100000732670 [0,1,0,0,0,0|3,0,0]=4 2508 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,1,0,0,0,0|2,0,1]=4 2509 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,1,0,0,0,0|2,0,1]=4 2510 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,1,0,0,0,0|0,0,0]=1 2511 B12R0.206 C=CCOC(=O)CNCCCCO 2230a_100000750430_100000033060 [0,1,0,0,0,0|1,0,0]=2 2512 B12R0.206 C=CCOC(=O)CNCCCCO 34a_100000750430_100000033060 [0,1,0,0,0,0|1,0,0]=2 2513 B12R0.206 C=CCOC(=O)CNCCCOC 34a_100150723488_100000033060 [0,1,0,0,0,0|1,0,0]=2 2514 B12R0.206 C=CCOC(=O)CNCCCSC 2230a_100000749238_100000033060 [0,1,0,0,0,0|1,0,0]=2 2515 B12R0.206 C=CCOC(=O)CNCCOCC 2230a_102516460346_100000033060 [0,1,0,0,0,0|1,0,0]=2 2516 B12R0.206 C=CCOC(=O)CNCCOCC 34a_102516460346_100000033060 [0,1,0,0,0,0|1,0,0]=2 2517 B12R0.206 C=CCOC(=O)CNCCSCC 2230a_100000106463_100000033060 [0,1,0,0,0,0|1,0,0]=2 2518 B12R0.206 C=CCOC(=O)COC/C=C\CC 34a_100016268518_100000033060 [0,1,0,0,0,0|0,0,2]=3 2519 B12R0.206 C=CCOC(=O)COCC#CCC 34a_100000032950_100000033060 [0,1,0,0,0,0|0,0,2]=3 2520 B12R0.206 C=CCOC(=O)COCC#CCCl 34a_200000047223_100000033060 [0,1,0,0,0,0|1,0,2]=4 2521 B12R0.206 C=CCOC(=O)COCC/C=C/C 34a_100016278192_100000033060 [0,1,0,0,0,0|0,0,2]=3 2522 B12R0.206 C=CCOC(=O)COCCC#CC 34a_100000750427_100000033060 [0,1,0,0,0,0|0,0,2]=3 2523 B12R0.206 C=CCOC(=O)COCCCCBr 34a_100011216708_100000033060 [0,1,0,0,0,0|1,0,0]=2 2524 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,1,0,0,0,0|0,0,0]=1 2525 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,1,0,0,0,0|0,0,0]=1 2526 B12R0.206 C=CCOC(=O)COCCCCCl 34a_100000210776_100000033060 [0,1,0,0,0,0|1,0,0]=2 2527 B12R0.206 C=CCOC(=O)COCCCCCl 7a_100000210776_100000033060 [0,1,0,0,0,0|1,0,0]=2 2528 B12R0.206 C=CCOC(=O)COCCCCF 34a_100011995726_100000033060 [0,1,0,0,0,0|1,0,0]=2 2529 B12R0.206 C=CCOC(=O)COCCCCF 7a_100011995726_100000033060 [0,1,0,0,0,0|1,0,0]=2 2530 B12R0.206 C=CCOC(=O)COCCCCI 34a_200012148704_100000033060 [0,1,0,0,0,0|1,0,0]=2 2531 B12R0.206 C=CCOC(=O)COCCCCN 34a_100000750430_100000033060 [0,1,0,0,0,0|1,0,0]=2 2532 B12R0.206 C=CCOC(=O)COCCCNC 34a_100000213112_100000033060 [0,1,0,0,0,0|1,0,0]=2 2533 B12R0.206 C=CCOC(=O)COCCCOC 34a_100000740835_100000033060 [0,1,0,0,0,0|1,0,0]=2 2534 B12R0.206 C=CCOC(=O)COCCCSC 34a_100000690336_100000033060 [0,1,0,0,0,0|1,0,0]=2 2535 B12R0.206 C=CCOC(=O)COCCCSC 7a_100000690336_100000033060 [0,1,0,0,0,0|1,0,0]=2 2536 B12R0.206 C=CCOC(=O)COCCOC=C 34a_100000033082_100000033060 [0,1,0,0,0,0|1,0,2]=4 2537 B12R0.206 C=CCOC(=O)COCCOCC 34a_100000210136_100000033060 [0,1,0,0,0,0|1,0,0]=2 2538 B12R0.206 C=CCOC(=O)COCCOCC 7a_100000210136_100000033060 [0,1,0,0,0,0|1,0,0]=2 2539 B12R0.206 C=CCOC(=O)COCCSCC 34a_100000212035_100000033060 [0,1,0,0,0,0|1,0,0]=2 2540 B12R0.206 C=CCOC(=O)COCCSCC 7a_100000212035_100000033060 [0,1,0,0,0,0|1,0,0]=2 2541 B12R0.206 C=CCOC(=O)CSC/C=C\CC 62a_100000033060_100103147603 [0,1,0,0,0,0|0,0,2]=3 2542 B12R0.206 C=CCOC(=O)CSC/C=C\CC 62a_100103147603_100000033060 [0,1,0,0,0,0|0,0,2]=3 2543 B12R0.206 C=CCOC(=O)CSCC#CCC 62a_100000033060_100009813939 [0,1,0,0,0,0|0,0,2]=3 2544 B12R0.206 C=CCOC(=O)CSCC#CCC 62a_100009813939_100000033060 [0,1,0,0,0,0|0,0,2]=3 2545 B12R0.206 C=CCOC(=O)CSCC#CCO 62a_100000033060_200000047223 [0,1,0,0,0,0|1,0,2]=4 2546 B12R0.206 C=CCOC(=O)CSCC#CCO 62a_200000047223_100000033060 [0,1,0,0,0,0|1,0,2]=4 2547 B12R0.206 C=CCOC(=O)CSCCCC#N 62a_100000033060_100000687738 [0,1,0,0,0,0|1,0,1]=3 2548 B12R0.206 C=CCOC(=O)CSCCCC#N 62a_100000687738_100000033060 [0,1,0,0,0,0|1,0,1]=3 2549 B12R0.206 C=CCOC(=O)CSCCCC=O 62a_100000033060_200011292268 [0,1,0,0,0,0|1,0,1]=3 2550 B12R0.206 C=CCOC(=O)CSCCCC=O 62a_200011292268_100000033060 [0,1,0,0,0,0|1,0,1]=3 2551 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,1,0,0,0,0|0,0,0]=1 2552 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,1,0,0,0,0|0,0,0]=1 2553 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000033060_100000729493 [0,1,0,0,0,0|1,0,0]=2 2554 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000729493_100000033060 [0,1,0,0,0,0|1,0,0]=2 2555 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000033060_100000210776 [0,1,0,0,0,0|1,0,0]=2 2556 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000210776_100000033060 [0,1,0,0,0,0|1,0,0]=2 2557 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000033060_100000709357 [0,1,0,0,0,0|1,0,0]=2 2558 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000709357_100000033060 [0,1,0,0,0,0|1,0,0]=2 2559 B12R0.206 C=CCOC(=O)CSCCOC=C 62a_100000033060_100000039644 [0,1,0,0,0,0|1,0,2]=4 2560 B12R0.206 C=CCOC(=O)CSCCOC=C 62a_100000039644_100000033060 [0,1,0,0,0,0|1,0,2]=4 2561 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000033060_100011215890 [0,1,0,0,0,0|1,0,0]=2 2562 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000210147_100000033060 [0,1,0,0,0,0|1,0,0]=2 2563 B12R0.206 C=CCOC(=O)CSCCSC#N 62a_100000033060_100000034367 [0,1,0,0,0,0|2,0,1]=4 2564 B12R0.206 C=CCOC(=O)CSCCSC#N 62a_100000034367_100000033060 [0,1,0,0,0,0|2,0,1]=4 2565 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000033060_100000757381 [0,1,0,0,0,0|1,0,0]=2 2566 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000757381_100000033060 [0,1,0,0,0,0|1,0,0]=2 2567 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,1,0,0,0,0|1,0,1]=3 2568 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,1,0,0,0,0|1,0,1]=3 2569 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,1,0,0,0,0|1,0,1]=3 2570 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,1,0,0,0,0|1,1,1]=4 2571 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,1,0,0,0,0|1,1,1]=4 2572 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,1,0,0,0,0|1,0,2]=4 2573 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,1,0,0,0,0|1,0,2]=4 2574 B12R0.206 CC=CCC(=O)CCCCCCF 1458a_100121576822_100015922095 [0,1,0,0,0,0|1,0,2]=4 2575 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,1,0,0,0,0|1,0,2]=4 2576 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,1,0,0,0,0|1,0,2]=4 2577 B12R0.206 CC=CCC(=O)CCCCCOC 1458a_100011935119_100000070051 [0,1,0,0,0,0|1,0,2]=4 2578 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,1,0,0,0,0|1,0,2]=4 2579 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,1,0,0,0,0|1,0,2]=4 2580 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,1,0,0,0,0|1,0,2]=4 2581 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,1,0,0,0,0|1,0,2]=4 2582 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,1,0,0,0,0|1,0,2]=4 2583 B12R0.206 CC=NNC(=O)CCCCCCC 4a_100000181853_200000210099 [0,1,0,0,0,0|2,0,1]=4 2584 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,1,0,0,0,0|1,0,2]=4 2585 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,0,0,0,0|1,0,2]=4 2586 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,0,0,0,0|1,0,2]=4 2587 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,1,0,0,0,0|1,0,2]=4 2588 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,1,0,0,0,0|2,0,1]=4 2589 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,1,0,0,0,0|2,0,1]=4 2590 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,0,0,0,0|1,0,2]=4 2591 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,0,0,0,0|1,0,2]=4 2592 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,1,0,0,0,0|2,0,1]=4 2593 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|2,0,1]=4 2594 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,0,0,0,0|2,0,1]=4 2595 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,0,0,0,0|2,0,1]=4 2596 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,0,0,0,0|2,0,1]=4 2597 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,0,0,0,0|2,0,1]=4 2598 B12R0.206 CCCCCCCC(=O)NCC#N 1626a_100000734998_100000211969 [0,1,0,0,0,0|2,0,1]=4 2599 B12R0.206 CCCCCCCC(=O)NCC#N 527a_100000734998_100000211969 [0,1,0,0,0,0|2,0,1]=4 2600 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 2601 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 2602 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 2603 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 2604 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 2605 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 2606 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 2607 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,1,0,0,0,0|2,0,1]=4 2608 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,1,0,0,0,0|2,0,1]=4 2609 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,1,0,0,0,0|2,0,1]=4 2610 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,1,0,0,0,0|1,0,1]=3 2611 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,1,0,0,0,0|1,0,1]=3 2612 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,1,0,0,0,0|1,0,1]=3 2613 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,1,0,0,0,0|1,0,1]=3 2614 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,1,0,0,0,0|1,0,1]=3 2615 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,1,0,0,0,0|1,0,1]=3 2616 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,1,0,0,0,0|2,0,1]=4 2617 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,1,0,0,0,0|2,0,1]=4 2618 B12R0.206 CCCCCCNC(=O)CCC#N 11a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 2619 B12R0.206 CCCCCCNC(=O)CCC#N 1626a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 2620 B12R0.206 CCCCCCNC(=O)CCC#N 240690a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 2621 B12R0.206 CCCCCCNC(=O)CCC#N 527a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 2622 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 2623 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 2624 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 2625 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,1,0,0,0,0|1,0,2]=4 2626 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 2627 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 2628 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 2629 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 2630 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 2631 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 2632 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 2633 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 2634 B12R0.206 CCCCCCNC(=O)NCC#N 2708a_100000734998_100000210581 [0,1,0,0,0,0|2,0,1]=4 2635 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000210581_100000734998 [0,1,0,0,0,0|2,0,1]=4 2636 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000734998_100000210581 [0,1,0,0,0,0|2,0,1]=4 2637 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000210581_100000734998 [0,1,0,0,0,0|2,0,1]=4 2638 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000734998_100000210581 [0,1,0,0,0,0|2,0,1]=4 2639 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,1,0,0,0,0|1,0,2]=4 2640 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,1,0,0,0,0|1,0,2]=4 2641 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,1,0,0,0,0|1,0,2]=4 2642 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,1,0,0,0,0|1,0,2]=4 2643 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,1,0,0,0,0|1,0,2]=4 2644 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,1,0,0,0,0|1,0,2]=4 2645 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,1,0,0,0,0|2,0,1]=4 2646 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,1,0,0,0,0|2,0,1]=4 2647 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,1,0,0,0,0|2,0,1]=4 2648 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,1,0,0,0,0|2,0,1]=4 2649 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 2650 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,1,0,0,0,0|2,0,1]=4 2651 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 2652 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 2653 B12R0.206 CCCCCNCC(=O)NCC#N 2230a_100000209983_100000736037 [0,1,0,0,0,0|2,0,1]=4 2654 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,1,0,0,0,0|1,0,2]=4 2655 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,1,0,0,0,0|1,0,2]=4 2656 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,1,0,0,0,0|2,0,1]=4 2657 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,1,0,0,0,0|0,0,2]=3 2658 B12R0.206 CCCCCOCC(=O)NCC#N 7a_100000210253_100000736037 [0,1,0,0,0,0|2,0,1]=4 2659 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,1,0,0,0,0|1,0,2]=4 2660 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,1,0,0,0,0|1,0,2]=4 2661 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,1,0,0,0,0|0,0,2]=3 2662 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,1,0,0,0,0|0,0,2]=3 2663 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000210326_100000736037 [0,1,0,0,0,0|2,0,1]=4 2664 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000736037_100000210326 [0,1,0,0,0,0|2,0,1]=4 2665 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,1,0,0,0,0|1,0,2]=4 2666 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,1,0,0,0,0|1,0,2]=4 2667 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,1,0,0,0,0|0,0,2]=3 2668 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,1,0,0,0,0|0,0,2]=3 2669 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,1,0,0,0,0|1,0,2]=4 2670 B12R0.206 CCCCOCCC(=O)CCC#N 1458a_100011934036_100000743108 [0,1,0,0,0,0|2,0,1]=4 2671 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,1,0,0,0,0|1,0,2]=4 2672 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,1,0,0,0,0|2,0,1]=4 2673 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,1,0,0,0,0|2,0,1]=4 2674 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,1,0,0,0,0|1,0,2]=4 2675 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,1,0,0,0,0|1,0,2]=4 2676 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,1,0,0,0,0|1,0,2]=4 2677 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,1,0,0,0,0|1,0,2]=4 2678 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,1,0,0,0,0|1,0,2]=4 2679 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,1,0,0,0,0|1,0,2]=4 2680 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,1,0,0,0,0|1,0,2]=4 2681 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,1,0,0,0,0|1,0,2]=4 2682 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,1,0,0,0,0|1,0,2]=4 2683 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,1,0,0,0,0|1,0,2]=4 2684 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,1,0,0,0,0|1,0,2]=4 2685 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,1,0,0,0,0|1,0,2]=4 2686 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,1,0,0,0,0|1,0,2]=4 2687 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,1,0,0,0,0|1,0,2]=4 2688 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,1,0,0,0,0|1,0,2]=4 2689 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,1,0,0,0,0|1,0,2]=4 2690 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,1,0,0,0,0|1,0,2]=4 2691 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,1,0,0,0,0|1,0,2]=4 2692 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,1,0,0,0,0|1,0,2]=4 2693 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,1,0,0,0,0|1,0,2]=4 2694 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,1,0,0,0,0|1,0,2]=4 2695 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,1,0,0,0,0|1,0,2]=4 2696 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,1,0,0,0,0|1,0,2]=4 2697 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,1,0,0,0,0|1,0,2]=4 2698 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,1,0,0,0,0|1,0,2]=4 2699 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,1,0,0,0,0|1,0,2]=4 2700 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,1,0,0,0,0|1,0,2]=4 2701 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,1,0,0,0,0|1,0,2]=4 2702 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,1,0,0,0,0|1,0,2]=4 2703 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,1,0,0,0,0|1,0,2]=4 2704 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,1,0,0,0,0|1,0,2]=4 2705 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,1,0,0,0,0|1,0,2]=4 2706 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,1,0,0,0,0|1,0,2]=4 2707 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,1,0,0,0,0|1,0,2]=4 2708 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,1,0,0,0,0|1,0,2]=4 2709 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,1,0,0,0,0|1,0,2]=4 2710 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,1,0,0,0,0|1,0,2]=4 2711 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,1,0,0,0,0|1,0,2]=4 2712 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,1,0,0,0,0|1,0,2]=4 2713 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,1,0,0,0,0|1,0,2]=4 2714 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,1,0,0,0,0|1,0,2]=4 2715 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,1,0,0,0,0|1,0,2]=4 2716 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,1,0,0,0,0|2,0,1]=4 2717 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,1,0,0,0,0|2,0,1]=4 2718 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,1,0,0,0,0|2,0,1]=4 2719 B12R0.206 COCCCCCC(=O)CCC#N 1458a_100011935119_100011215226 [0,1,0,0,0,0|2,0,1]=4 2720 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,1,0,0,0,0|2,0,1]=4 2721 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,1,0,0,0,0|2,0,1]=4 2722 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,1,0,0,0,0|2,0,1]=4 2723 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,1,0,0,0,0|2,0,1]=4 2724 B12R0.206 COCCCCCC(=O)NCC#N 1626a_100000734998_100011935119 [0,1,0,0,0,0|2,0,1]=4 2725 B12R0.206 COCCCCCC(=O)NCC#N 527a_100000734998_100011935119 [0,1,0,0,0,0|2,0,1]=4 2726 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,1,0,0,0,0|2,0,1]=4 2727 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,1,0,0,0,0|2,0,1]=4 2728 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,1,0,0,0,0|2,0,1]=4 2729 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,1,0,0,0,0|2,0,1]=4 2730 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,1,0,0,0,0|2,0,1]=4 2731 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,1,0,0,0,0|2,0,1]=4 2732 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,1,0,0,0,0|2,0,1]=4 2733 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,1,0,0,0,0|2,0,1]=4 2734 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,1,0,0,0,0|2,0,1]=4 2735 B12R0.206 N#CCCC(=O)CCCCCCF 1458a_100011934036_100015922095 [0,1,0,0,0,0|2,0,1]=4 2736 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,1,0,0,0,0|2,0,1]=4 2737 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,1,0,0,0,0|2,0,1]=4 2738 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,1,0,0,0,0|2,0,1]=4 2739 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,1,0,0,0,0|2,0,1]=4 2740 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,1,0,0,0,0|2,0,1]=4 2741 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,1,0,0,0,0|2,0,1]=4 2742 B12R0.255 C#CCCCCC(=O)CCC(=C)C 1458a_100000696528_100000730704 [0,1,0,0,0,0|1,0,2]=4 2743 B12R0.255 C#CCCCCC(=O)CCC(=C)C 1458a_200000688413_100010269958 [0,1,0,0,0,0|1,0,2]=4 2744 B12R0.255 C#CCCCCC(=O)NCC(=C)C 11a_100000765925_100000696528 [0,1,0,0,0,0|1,0,2]=4 2745 B12R0.255 C#CCCCCC(=O)NCC(=C)C 1626a_100000765925_100000696528 [0,1,0,0,0,0|1,0,2]=4 2746 B12R0.255 C#CCCCCC(=O)NCC(=C)C 240690a_100000765925_100000696528 [0,1,0,0,0,0|1,0,2]=4 2747 B12R0.255 C#CCCCCC(=O)NCC(=C)C 527a_100000765925_100000696528 [0,1,0,0,0,0|1,0,2]=4 2748 B12R0.255 C=C(C)CCC(=O)C/C=C/CCC 1458a_200016266809_100000730704 [0,1,0,0,0,0|1,0,2]=4 2749 B12R0.255 C=C(C)CCC(=O)C=CCCCC 1458a_100016266645_100000730704 [0,1,0,0,0,0|1,0,2]=4 2750 B12R0.255 C=C(C)CCC(=O)CC/C=C\CC 1458a_200000688413_100015370543 [0,1,0,0,0,0|1,0,2]=4 2751 B12R0.255 C=C(C)CCC(=O)CCCCC#N 1458a_200000688413_100000211819 [0,1,0,0,0,0|2,0,1]=4 2752 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,1,0,0,0,0|1,0,0]=2 2753 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,1,0,0,0,0|1,0,0]=2 2754 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,1,0,0,0,0|2,0,0]=3 2755 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,1,0,0,0,0|2,0,0]=3 2756 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,1,0,0,0,0|2,0,0]=3 2757 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,1,0,0,0,0|2,0,0]=3 2758 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,1,0,0,0,0|2,0,0]=3 2759 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,1,0,0,0,0|2,0,0]=3 2760 B12R0.255 C=C(C)CCC(=O)CCOCCO 1458a_100011229844_100000730704 [0,1,0,0,0,0|3,0,0]=4 2761 B12R0.255 C=C(C)CCC(=O)CCOCCO 1458a_200000688413_100011215305 [0,1,0,0,0,0|3,0,0]=4 2762 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,1,0,0,0,0|2,0,0]=3 2763 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,1,0,0,0,0|2,0,0]=3 2764 B12R0.255 C=C(C)CCC(=O)COCCOC 1458a_100000211095_100000730704 [0,1,0,0,0,0|3,0,0]=4 2765 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,1,0,0,0,0|2,0,0]=3 2766 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2767 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2768 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2769 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2770 B12R0.255 C=C(C)CCC(=O)NCCCCO 240690a_100000750430_200000688413 [0,1,0,0,0,0|3,0,0]=4 2771 B12R0.255 C=C(C)CCC(=O)NCCCCO 527a_100000750430_200000688413 [0,1,0,0,0,0|3,0,0]=4 2772 B12R0.255 C=C(C)CCC(=O)NCCCOC 1626a_100150723488_200000688413 [0,1,0,0,0,0|3,0,0]=4 2773 B12R0.255 C=C(C)CCC(=O)NCCCOC 240690a_100150723488_200000688413 [0,1,0,0,0,0|3,0,0]=4 2774 B12R0.255 C=C(C)CCC(=O)NCCCOC 527a_100150723488_200000688413 [0,1,0,0,0,0|3,0,0]=4 2775 B12R0.255 C=C(C)CCC(=O)NCCCSC 11a_100000749238_200000688413 [0,1,0,0,0,0|3,0,0]=4 2776 B12R0.255 C=C(C)CCC(=O)NCCCSC 1626a_100000749238_200000688413 [0,1,0,0,0,0|3,0,0]=4 2777 B12R0.255 C=C(C)CCC(=O)NCCCSC 240690a_100000749238_200000688413 [0,1,0,0,0,0|3,0,0]=4 2778 B12R0.255 C=C(C)CCC(=O)NCCCSC 527a_100000749238_200000688413 [0,1,0,0,0,0|3,0,0]=4 2779 B12R0.255 C=C(C)CCC(=O)NCCOCC 11a_100011200944_200000688413 [0,1,0,0,0,0|3,0,0]=4 2780 B12R0.255 C=C(C)CCC(=O)NCCOCC 1626a_102516460346_200000688413 [0,1,0,0,0,0|3,0,0]=4 2781 B12R0.255 C=C(C)CCC(=O)NCCOCC 240690a_100011200944_200000688413 [0,1,0,0,0,0|3,0,0]=4 2782 B12R0.255 C=C(C)CCC(=O)NCCOCC 527a_100011200944_200000688413 [0,1,0,0,0,0|3,0,0]=4 2783 B12R0.255 C=C(C)CCC(=O)NCCSCC 11a_100000106463_200000688413 [0,1,0,0,0,0|3,0,0]=4 2784 B12R0.255 C=C(C)CCC(=O)NCCSCC 1626a_100000106463_200000688413 [0,1,0,0,0,0|3,0,0]=4 2785 B12R0.255 C=C(C)CCC(=O)NCCSCC 240690a_100000106463_200000688413 [0,1,0,0,0,0|3,0,0]=4 2786 B12R0.255 C=C(C)CCC(=O)NCCSCC 527a_100000106463_200000688413 [0,1,0,0,0,0|3,0,0]=4 2787 B12R0.255 C=C(C)CCC(=O)NNCCCC 22a_100025702795_200000688413 [0,1,0,0,0,0|3,0,0]=4 2788 B12R0.255 C=C(C)CCN(C)CCCCCC 2230a_106256046315_100000730704 [0,1,0,0,0,0|3,0,0]=4 2789 B12R0.255 C=C(C)CCN(C)CCCCCC 269982a_106256046315_100000730704 [0,1,0,0,0,0|3,0,0]=4 2790 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 11a_100000765925_200016266809 [0,1,0,0,0,0|1,0,2]=4 2791 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 1626a_100000765925_200016266809 [0,1,0,0,0,0|1,0,2]=4 2792 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 240690a_100000765925_200016266809 [0,1,0,0,0,0|1,0,2]=4 2793 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 527a_100000765925_200016266809 [0,1,0,0,0,0|1,0,2]=4 2794 B12R0.255 C=C(C)CNC(=O)C=CCCCC 11a_100000765925_100016266645 [0,1,0,0,0,0|1,0,2]=4 2795 B12R0.255 C=C(C)CNC(=O)C=CCCCC 1626a_100000765925_100016266645 [0,1,0,0,0,0|1,0,2]=4 2796 B12R0.255 C=C(C)CNC(=O)C=CCCCC 240690a_100000765925_100016266645 [0,1,0,0,0,0|1,0,2]=4 2797 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,1,0,0,0,0|1,0,0]=2 2798 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,1,0,0,0,0|1,0,0]=2 2799 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,1,0,0,0,0|1,0,0]=2 2800 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,1,0,0,0,0|1,0,0]=2 2801 B12R0.255 C=C(C)CNC(=O)CCCCCO 240690a_100000765925_100102619762 [0,1,0,0,0,0|2,0,0]=3 2802 B12R0.255 C=C(C)CNC(=O)CCOCCO 1626a_100000765925_100011229844 [0,1,0,0,0,0|3,0,0]=4 2803 B12R0.255 C=C(C)CNC(=O)CCOCCO 240690a_100000765925_100011229844 [0,1,0,0,0,0|3,0,0]=4 2804 B12R0.255 C=C(C)CNC(=O)COCCCC 11a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2805 B12R0.255 C=C(C)CNC(=O)COCCCC 1626a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2806 B12R0.255 C=C(C)CNC(=O)COCCCC 240690a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2807 B12R0.255 C=C(C)CNC(=O)COCCCC 527a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2808 B12R0.255 C=C(C)CNC(=O)COCCOC 11a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2809 B12R0.255 C=C(C)CNC(=O)COCCOC 1626a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2810 B12R0.255 C=C(C)CNC(=O)COCCOC 240690a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2811 B12R0.255 C=C(C)CNC(=O)COCCOC 527a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2812 B12R0.255 C=C(C)CNC(=O)CSCCCC 11a_100000765925_100000191162 [0,1,0,0,0,0|2,0,0]=3 2813 B12R0.255 C=C(C)CNC(=O)CSCCCC 1626a_100000765925_100000191162 [0,1,0,0,0,0|2,0,0]=3 2814 B12R0.255 C=C(C)CNC(=O)CSCCCC 240690a_100000765925_100000191162 [0,1,0,0,0,0|2,0,0]=3 2815 B12R0.255 C=C(C)CNC(=O)CSCCCC 527a_100000765925_100000191162 [0,1,0,0,0,0|2,0,0]=3 2816 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000209983_100000765925 [0,1,0,0,0,0|2,0,0]=3 2817 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000765925_100000209983 [0,1,0,0,0,0|2,0,0]=3 2818 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000209983_100000765925 [0,1,0,0,0,0|2,0,0]=3 2819 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000765925_100000209983 [0,1,0,0,0,0|2,0,0]=3 2820 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000209983_100000765925 [0,1,0,0,0,0|2,0,0]=3 2821 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000765925_100000209983 [0,1,0,0,0,0|2,0,0]=3 2822 B12R0.255 C=C(C)CNC(=O)NCCCCO 2708a_100000750430_100000765925 [0,1,0,0,0,0|3,0,0]=4 2823 B12R0.255 C=C(C)CNC(=O)NCCCCO 2708a_100000765925_100000750430 [0,1,0,0,0,0|3,0,0]=4 2824 B12R0.255 C=C(C)CNC(=O)NCCCCO 273464a_100000750430_100000765925 [0,1,0,0,0,0|3,0,0]=4 2825 B12R0.255 C=C(C)CNC(=O)NCCCCO 273464a_100000765925_100000750430 [0,1,0,0,0,0|3,0,0]=4 2826 B12R0.255 C=C(C)CNC(=O)NCCCCO 512a_100000750430_100000765925 [0,1,0,0,0,0|3,0,0]=4 2827 B12R0.255 C=C(C)CNC(=O)NCCCCO 512a_100000765925_100000750430 [0,1,0,0,0,0|3,0,0]=4 2828 B12R0.255 C=C(C)CNC(=O)NCCCOC 2708a_100000765925_100150723488 [0,1,0,0,0,0|3,0,0]=4 2829 B12R0.255 C=C(C)CNC(=O)NCCCOC 2708a_100150723488_100000765925 [0,1,0,0,0,0|3,0,0]=4 2830 B12R0.255 C=C(C)CNC(=O)NCCCOC 273464a_100000765925_100150723488 [0,1,0,0,0,0|3,0,0]=4 2831 B12R0.255 C=C(C)CNC(=O)NCCCOC 273464a_100150723488_100000765925 [0,1,0,0,0,0|3,0,0]=4 2832 B12R0.255 C=C(C)CNC(=O)NCCCOC 512a_100000765925_100150723488 [0,1,0,0,0,0|3,0,0]=4 2833 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000749238_100000765925 [0,1,0,0,0,0|3,0,0]=4 2834 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000765925_100000749238 [0,1,0,0,0,0|3,0,0]=4 2835 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000749238_100000765925 [0,1,0,0,0,0|3,0,0]=4 2836 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000765925_100000749238 [0,1,0,0,0,0|3,0,0]=4 2837 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000749238_100000765925 [0,1,0,0,0,0|3,0,0]=4 2838 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000765925_100000749238 [0,1,0,0,0,0|3,0,0]=4 2839 B12R0.255 C=C(C)CNC(=O)NCCOCC 2708a_100000765925_100011200944 [0,1,0,0,0,0|3,0,0]=4 2840 B12R0.255 C=C(C)CNC(=O)NCCOCC 2708a_100011200944_100000765925 [0,1,0,0,0,0|3,0,0]=4 2841 B12R0.255 C=C(C)CNC(=O)NCCOCC 273464a_100000765925_102516460346 [0,1,0,0,0,0|3,0,0]=4 2842 B12R0.255 C=C(C)CNC(=O)NCCOCC 273464a_102516460346_100000765925 [0,1,0,0,0,0|3,0,0]=4 2843 B12R0.255 C=C(C)CNC(=O)NCCOCC 512a_100000765925_100011200944 [0,1,0,0,0,0|3,0,0]=4 2844 B12R0.255 C=C(C)CNC(=O)NCCOCC 512a_100011200944_100000765925 [0,1,0,0,0,0|3,0,0]=4 2845 B12R0.255 C=C(C)CNC(=O)NCCSCC 2708a_100000106463_100000765925 [0,1,0,0,0,0|3,0,0]=4 2846 B12R0.255 C=C(C)CNC(=O)NCCSCC 2708a_100000765925_100000106463 [0,1,0,0,0,0|3,0,0]=4 2847 B12R0.255 C=C(C)CNC(=O)NCCSCC 273464a_100000106463_100000765925 [0,1,0,0,0,0|3,0,0]=4 2848 B12R0.255 C=C(C)CNC(=O)NCCSCC 273464a_100000765925_100000106463 [0,1,0,0,0,0|3,0,0]=4 2849 B12R0.255 C=C(C)CNC(=O)NCCSCC 512a_100000106463_100000765925 [0,1,0,0,0,0|3,0,0]=4 2850 B12R0.255 C=C(C)CNC(=O)NCCSCC 512a_100000765925_100000106463 [0,1,0,0,0,0|3,0,0]=4 2851 B12R0.255 C=C(C)CNC(=O)NNCCCC 273464a_100000765925_100025702795 [0,1,0,0,0,0|3,0,0]=4 2852 B12R0.255 C=C(C)CNC(=O)NNCCCC 512a_100000765925_100025702795 [0,1,0,0,0,0|3,0,0]=4 2853 B12R0.255 C=C(C)CNC(=O)NNCCCC 512a_100025702795_100000765925 [0,1,0,0,0,0|3,0,0]=4 2854 B12R0.255 C=C(C)CNC(C)CCCCCC 2230a_100000210919_100000748629 [0,1,0,0,0,0|2,0,1]=4 2855 B12R0.255 C=C(C)CNC(C)CCCCCC 34a_100000210919_100000748629 [0,1,0,0,0,0|2,0,1]=4 2856 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,1,0,0,0,0|1,0,1]=3 2857 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,1,0,0,0,0|1,0,1]=3 2858 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,1,0,0,0,0|1,0,1]=3 2859 B12R0.255 C=C(C)COC(C)COCCCC 34a_100011217071_100000748629 [0,1,0,0,0,0|2,0,1]=4 2860 B12R0.255 C=C(C)COC(C)COCCCC 7a_100011217071_100000748629 [0,1,0,0,0,0|2,0,1]=4 2861 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100000748629_100011215978 [0,1,0,0,0,0|1,1,1]=4 2862 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100011215978_100000211660 [0,1,0,0,0,0|1,1,1]=4 2863 B12R0.255 C=C(F)CNC(C)CCCCCC 2230a_100000210919_100009893438 [0,1,0,0,0,0|2,0,1]=4 2864 B12R0.255 C=C(F)CNC(C)CCCCCC 34a_100000210919_100009893438 [0,1,0,0,0,0|2,0,1]=4 2865 B12R0.255 C=C(F)COC(C)CCCCCC 34a_100000210265_100009893438 [0,1,0,0,0,0|1,0,1]=3 2866 B12R0.255 C=C(F)COC(C)CCCCCC 34a_200010262243_100011215978 [0,1,0,0,0,0|1,0,1]=3 2867 B12R0.255 C=C(F)COC(C)CCCCCC 7a_100000210265_100000042424 [0,1,0,0,0,0|1,0,1]=3 2868 B12R0.255 C=C(F)COC(C)COCCCC 34a_100011217071_100009893438 [0,1,0,0,0,0|2,0,1]=4 2869 B12R0.255 C=C(F)COC(C)COCCCC 7a_100011217071_100000042424 [0,1,0,0,0,0|2,0,1]=4 2870 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100000042424_100011215978 [0,1,0,0,0,0|1,1,1]=4 2871 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100011215978_100000042424 [0,1,0,0,0,0|1,1,1]=4 2872 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_100011215552_100000730704 [0,1,0,0,0,0|1,0,2]=4 2873 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_200000688413_100011215482 [0,1,0,0,0,0|1,0,2]=4 2874 B12R0.255 C=CCCCCC(=O)NCC(=C)C 11a_100000765925_100011215552 [0,1,0,0,0,0|1,0,2]=4 2875 B12R0.255 C=CCCCCC(=O)NCC(=C)C 1626a_100000765925_100011215552 [0,1,0,0,0,0|1,0,2]=4 2876 B12R0.255 C=CCCCCC(=O)NCC(=C)C 240690a_100000765925_100011215552 [0,1,0,0,0,0|1,0,2]=4 2877 B12R0.255 C=CCCCCC(=O)NCC(=C)C 527a_100000765925_100011215552 [0,1,0,0,0,0|1,0,2]=4 2878 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,1,0,0,0,0|1,0,2]=4 2879 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,1,0,0,0,0|1,0,2]=4 2880 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,0,0,0,0|2,0,0]=3 2881 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,1,0,0,0,0|1,0,2]=4 2882 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,1,0,0,0,0|1,0,2]=4 2883 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,1,0,0,0,0|1,0,2]=4 2884 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,1,0,0,0,0|3,0,0]=4 2885 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,1,0,0,0,0|2,0,1]=4 2886 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,1,0,0,0,0|2,0,1]=4 2887 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,1,0,0,0,0|3,0,0]=4 2888 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,1,0,0,0,0|2,0,1]=4 2889 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,1,0,0,0,0|2,0,1]=4 2890 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,1,0,0,0,0|2,0,0]=3 2891 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,1,0,0,0,0|2,0,0]=3 2892 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,1,0,0,0,0|2,0,0]=3 2893 B12R0.255 CCCCCCC(=O)NCC(C)C 11a_100000210953_100102632555 [0,1,0,0,0,0|1,0,2]=4 2894 B12R0.255 CCCCCCC(=O)NCC(C)C 1626a_100000210953_100102632555 [0,1,0,0,0,0|1,0,2]=4 2895 B12R0.255 CCCCCCC(=O)NCC(C)C 240690a_100000210953_100102632555 [0,1,0,0,0,0|1,0,2]=4 2896 B12R0.255 CCCCCCC(=O)NCC(C)C 527a_100000210953_100102632555 [0,1,0,0,0,0|1,0,2]=4 2897 B12R0.255 CCCCCCC(=O)NCC(C)O 11a_100000210904_100102632555 [0,1,0,0,0,0|1,0,2]=4 2898 B12R0.255 CCCCCCC(=O)NCC(C)O 240690a_100000210904_100102632555 [0,1,0,0,0,0|1,0,2]=4 2899 B12R0.255 CCCCCCC(=O)NCC(C)O 527a_100000210904_100102632555 [0,1,0,0,0,0|1,0,2]=4 2900 B12R0.255 CCCCCCC(=O)NCC(F)F 11a_100000765723_100102632555 [0,1,0,0,0,0|2,0,1]=4 2901 B12R0.255 CCCCCCC(=O)NCC(F)F 1626a_100000765723_100102632555 [0,1,0,0,0,0|2,0,1]=4 2902 B12R0.255 CCCCCCC(=O)NCC(F)F 240690a_100000765723_100102632555 [0,1,0,0,0,0|2,0,1]=4 2903 B12R0.255 CCCCCCC(=O)NCC(F)F 527a_100000765723_100102632555 [0,1,0,0,0,0|2,0,1]=4 2904 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100000189765_100102632555 [0,1,0,0,0,0|2,0,1]=4 2905 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100011221127_100000070787 [0,1,0,0,0,0|2,0,1]=4 2906 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,1,0,0,0,0|1,0,2]=4 2907 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,1,0,0,0,0|2,0,1]=4 2908 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,1,0,0,0,0|2,0,1]=4 2909 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,1,0,0,0,0|2,0,1]=4 2910 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,1,0,0,0,0|3,0,0]=4 2911 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,1,0,0,0,0|3,0,0]=4 2912 B12R0.255 CCCCCNC(=O)NCC(=O)N 2708a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 2913 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 2914 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000209983 [0,1,0,0,0,0|3,0,0]=4 2915 B12R0.255 CCCCCNC(=O)NCC(=O)N 512a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 2916 B12R0.255 CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210211 [0,1,0,0,0,0|3,0,0]=4 2917 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,1,0,0,0,0|3,0,0]=4 2918 B12R0.255 CCCCOCC(=O)NCC(=O)N 11a_100000711301_100000757543 [0,1,0,0,0,0|3,0,0]=4 2919 B12R0.255 CCCCOCC(=O)NCC(=O)N 240690a_100000711301_100000757543 [0,1,0,0,0,0|3,0,0]=4 2920 B12R0.255 CCCCOCC(=O)NCC(=O)N 527a_100000711301_100000757543 [0,1,0,0,0,0|3,0,0]=4 2921 B12R0.255 CCCCSCC(=O)NCC(=O)N 11a_100000711301_100000191162 [0,1,0,0,0,0|3,0,0]=4 2922 B12R0.255 CCCCSCC(=O)NCC(=O)N 240690a_100000711301_100000191162 [0,1,0,0,0,0|3,0,0]=4 2923 B12R0.255 CCCCSCC(=O)NCC(=O)N 527a_100000711301_100000191162 [0,1,0,0,0,0|3,0,0]=4 2924 B12R0.255 CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210207 [0,1,0,0,0,0|3,0,0]=4 2925 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,1,0,0,0,0|3,0,0]=4 2926 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,1,0,0,0,0|3,0,0]=4 2927 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,1,0,0,0,0|3,0,0]=4 2928 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,1,0,0,0,0|3,0,0]=4 2929 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,1,0,0,0,0|3,0,0]=4 2930 B12R0.255 NC(=O)CNC(=O)CCCCCO 240690a_100000711301_100102619762 [0,1,0,0,0,0|3,0,0]=4 2931 B12R0.585 C=CCNS(=O)(=O)CCCCCC 270084a_100020586998_100011361803 [0,1,0,0,0,0|2,0,0]=3 2932 B12R0.585 C=CCNS(=O)(=O)CCCCCC 274078a_100020586998_100011361803 [0,1,0,0,0,0|2,0,0]=3 2933 B12R0.585 C=CCOC(C)(C)CCCCCBr 7a_100010402123_100015514636 [0,1,0,0,0,0|2,0,1]=4 2934 B12R0.585 C=CCOC(C)(C)CCCCCC 7a_200011995690_100015514636 [0,1,0,0,0,0|1,0,1]=3 2935 B12R0.585 CCCCCCC(C)(C)OCC=O 7a_200011995690_200015260668 [0,1,0,0,0,0|2,0,1]=4 2936 B12R0.648 C#CCCC(=O)C(C)CCCCC 1458a_100000692101_200011218191 [0,1,0,0,0,0|1,0,2]=4 2937 B12R0.648 C#CCCC(=O)C(C)CCCCC 1458a_100011215998_100000753159 [0,1,0,0,0,0|1,0,2]=4 2938 B12R0.648 C#CCNC(=O)C(C)CCCCC 11a_100000212058_100011215998 [0,1,0,0,0,0|1,0,2]=4 2939 B12R0.648 C#CCNC(=O)C(C)CCCCC 1626a_100000212058_100011215998 [0,1,0,0,0,0|1,0,2]=4 2940 B12R0.648 C#CCNC(=O)C(C)CCCCC 240690a_100000212058_100011215998 [0,1,0,0,0,0|1,0,2]=4 2941 B12R0.648 C#CCNC(=O)C(C)CCCCC 527a_100000212058_100011215998 [0,1,0,0,0,0|1,0,2]=4 2942 B12R0.648 C/C=C/CC(=O)C(C)CCCCC 1458a_100011215998_100102629194 [0,1,0,0,0,0|1,0,2]=4 2943 B12R0.648 C=CC=CC(=O)C(C)CCCCC 1458a_100016291481_200011218191 [0,1,0,0,0,0|1,0,1]=3 2944 B12R0.648 C=CC=CC(=O)N(C)CCCCC 1626a_100000223495_100016291481 [0,1,0,0,0,0|2,0,1]=4 2945 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100000749702_200011218191 [0,1,0,0,0,0|1,0,0]=2 2946 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100011215998_100000754431 [0,1,0,0,0,0|1,0,0]=2 2947 B12R0.648 C=CCCC(=O)C(C)SCCCC 1458a_100000191163_100000754431 [0,1,0,0,0,0|2,0,0]=3 2948 B12R0.648 C=CCCC(=O)N(C)CCCCC 11a_100000223495_100000749702 [0,1,0,0,0,0|2,0,0]=3 2949 B12R0.648 C=CCCC(=O)N(C)CCCCC 1626a_100000223495_100000749702 [0,1,0,0,0,0|2,0,0]=3 2950 B12R0.648 C=CCCC(=O)N(C)CCCCC 240690a_100000223495_100000749702 [0,1,0,0,0,0|2,0,0]=3 2951 B12R0.648 C=CCCC(=O)N(C)CCCCC 527a_100000223495_100000749702 [0,1,0,0,0,0|2,0,0]=3 2952 B12R0.648 C=CCCC(=O)N(C)CCCCO 240690a_100000717598_100000749702 [0,1,0,0,0,0|3,0,0]=4 2953 B12R0.648 C=CCCC(=O)N(C)CCCOC 11a_100000224831_100000749702 [0,1,0,0,0,0|3,0,0]=4 2954 B12R0.648 C=CCCC(=O)N(C)CCCOC 1626a_100000224831_100000749702 [0,1,0,0,0,0|3,0,0]=4 2955 B12R0.648 C=CCCC(=O)N(C)CCCOC 240690a_100000224831_100000749702 [0,1,0,0,0,0|3,0,0]=4 2956 B12R0.648 C=CCCC(=O)N(C)CCCOC 527a_100000224831_100000749702 [0,1,0,0,0,0|3,0,0]=4 2957 B12R0.648 C=CCCN(C)C(C)CCCCC 2230a_100020639649_200011218191 [0,1,0,0,0,0|3,0,0]=4 2958 B12R0.648 C=CCCN(C)C(C)CCCCC 269982a_100020639649_200011218191 [0,1,0,0,0,0|3,0,0]=4 2959 B12R0.648 C=CCCN(C)C(C)CCCCC 270004a_100020639649_100000211708 [0,1,0,0,0,0|3,0,0]=4 2960 B12R0.648 C=CCNC(=O)C(C)CCCCC 1626a_100020586998_100011215998 [0,1,0,0,0,0|1,0,0]=2 2961 B12R0.648 C=CCNC(=O)C(C)CCCCC 240690a_100020586998_100011215998 [0,1,0,0,0,0|1,0,0]=2 2962 B12R0.648 C=CCNC(=O)C(C)CCCCC 527a_100020586998_100011215998 [0,1,0,0,0,0|1,0,0]=2 2963 B12R0.648 C=CCNC(=O)C(C)NCCCC 2230a_100000102301_100000230288 [0,1,0,0,0,0|2,0,0]=3 2964 B12R0.648 C=CCNC(=O)C(C)NCCCC 7a_106832991798_100000230288 [0,1,0,0,0,0|2,0,0]=3 2965 B12R0.648 C=CCNC(=O)C(C)NCCCF 2230a_100015189416_100000230288 [0,1,0,0,0,0|3,0,0]=4 2966 B12R0.648 C=CCNC(=O)C(C)NCCOC 2230a_100000209980_100000230288 [0,1,0,0,0,0|3,0,0]=4 2967 B12R0.648 C=CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230288 [0,1,0,0,0,0|3,0,0]=4 2968 B12R0.648 C=CCNC(=O)C(C)OCCCC 7a_100000210227_100000230288 [0,1,0,0,0,0|2,0,0]=3 2969 B12R0.648 C=CCNC(=O)C(C)OCCSC 7a_100000230434_100000230288 [0,1,0,0,0,0|3,0,0]=4 2970 B12R0.648 C=CCNC(=O)C(C)SCCCC 1626a_100020586998_100000191163 [0,1,0,0,0,0|2,0,0]=3 2971 B12R0.648 C=CCNC(=O)C(C)SCCCC 240690a_100020586998_100000191163 [0,1,0,0,0,0|2,0,0]=3 2972 B12R0.648 C=CCNC(=O)C(C)SCCCC 527a_100020586998_100000191163 [0,1,0,0,0,0|2,0,0]=3 2973 B12R0.648 C=CCNC(=O)C(C)SCCCC 62a_100000210211_100000230288 [0,1,0,0,0,0|2,0,0]=3 2974 B12R0.648 C=CCNC(=O)C(C)SCCCC 62a_100000230288_100000210210 [0,1,0,0,0,0|2,0,0]=3 2975 B12R0.648 C=CCNC(=O)C(C)SCCCF 62a_100000230288_100011934791 [0,1,0,0,0,0|3,0,0]=4 2976 B12R0.648 C=CCNC(=O)C(C)SCCCF 62a_100011934791_100000230288 [0,1,0,0,0,0|3,0,0]=4 2977 B12R0.648 C=CCNC(=O)C(C)SCCCO 62a_100000230288_100011215043 [0,1,0,0,0,0|3,0,0]=4 2978 B12R0.648 C=CCNC(=O)C(C)SCCCO 62a_100011215043_100000230288 [0,1,0,0,0,0|3,0,0]=4 2979 B12R0.648 C=CCNC(=O)C(C)SCCOC 62a_100000230288_100000233755 [0,1,0,0,0,0|3,0,0]=4 2980 B12R0.648 C=CCNC(=O)C(C)SCCOC 62a_100000233755_100000230288 [0,1,0,0,0,0|3,0,0]=4 2981 B12R0.648 C=CCNC(=O)C(C)SCCSC 62a_100000212216_100000230288 [0,1,0,0,0,0|3,0,0]=4 2982 B12R0.648 C=CCNC(=O)C(C)SCCSC 62a_100000230288_100000751147 [0,1,0,0,0,0|3,0,0]=4 2983 B12R0.648 C=CCNC(=O)C(C)SCOCC 62a_100000230288_100000739092 [0,1,0,0,0,0|3,0,0]=4 2984 B12R0.648 C=CCNC(=O)C(C)SCOCC 62a_100000739092_100000230288 [0,1,0,0,0,0|3,0,0]=4 2985 B12R0.648 C=CCNC(=O)N(C)CCCCC 273464a_100020586998_100000223495 [0,1,0,0,0,0|2,0,0]=3 2986 B12R0.648 C=CCNC(=O)N(C)CCCCO 273464a_100020586998_100000717598 [0,1,0,0,0,0|3,0,0]=4 2987 B12R0.648 C=CCNC(=O)N(C)CCCOC 273464a_100020586998_100000224831 [0,1,0,0,0,0|3,0,0]=4 2988 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100011215998_100000070051 [0,1,0,0,0,0|1,0,2]=4 2989 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100121576822_200011218191 [0,1,0,0,0,0|1,0,2]=4 2990 B12R0.648 CCCCCC(C)C(=O)CCC#N 1458a_100011215998_100011215226 [0,1,0,0,0,0|2,0,1]=4 2991 B12R0.648 CCCCCC(C)C(=O)CCC#N 1458a_100011934036_200011218191 [0,1,0,0,0,0|2,0,1]=4 2992 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,1,0,0,0,0|1,0,2]=4 2993 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,1,0,0,0,0|1,0,2]=4 2994 B12R0.648 CCCCCC(C)C(=O)CCCF 1458a_100011215998_100011934791 [0,1,0,0,0,0|2,0,1]=4 2995 B12R0.648 CCCCCC(C)C(=O)CCCO 1458a_100011215998_100011215043 [0,1,0,0,0,0|2,0,1]=4 2996 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100000749529_200011218191 [0,1,0,0,0,0|2,0,1]=4 2997 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100011215998_100000233755 [0,1,0,0,0,0|2,0,1]=4 2998 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100000174002_200011218191 [0,1,0,0,0,0|2,0,1]=4 2999 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100011215998_100000751147 [0,1,0,0,0,0|2,0,1]=4 3000 B12R0.648 CCCCCC(C)C(=O)NCC#N 1626a_100000734998_100011215998 [0,1,0,0,0,0|2,0,1]=4 3001 B12R0.648 CCCCCC(C)C(=O)NCC#N 527a_100000734998_100011215998 [0,1,0,0,0,0|2,0,1]=4 3002 B12R0.648 CCCCCC(C)C(=O)NCCC 11a_100020643023_100011215998 [0,1,0,0,0,0|1,0,2]=4 3003 B12R0.648 CCCCCC(C)C(=O)NCCC 1626a_100020643023_100011215998 [0,1,0,0,0,0|1,0,2]=4 3004 B12R0.648 CCCCCC(C)C(=O)NCCC 240690a_100020643023_100011215998 [0,1,0,0,0,0|1,0,2]=4 3005 B12R0.648 CCCCCC(C)C(=O)NCCC 527a_100020643023_100011215998 [0,1,0,0,0,0|1,0,2]=4 3006 B12R0.648 CCCCCC(C)C(=O)NCCF 11a_100000724931_100011215998 [0,1,0,0,0,0|2,0,1]=4 3007 B12R0.648 CCCCCC(C)C(=O)NCCF 1626a_100000724931_100011215998 [0,1,0,0,0,0|2,0,1]=4 3008 B12R0.648 CCCCCC(C)C(=O)NCCF 240690a_100000724931_100011215998 [0,1,0,0,0,0|2,0,1]=4 3009 B12R0.648 CCCCCC(C)C(=O)NCCF 527a_100000724931_100011215998 [0,1,0,0,0,0|2,0,1]=4 3010 B12R0.648 CCCCCC(C)C(=O)NCCO 240690a_100000210304_100011215998 [0,1,0,0,0,0|2,0,1]=4 3011 B12R0.648 CCCCCC(C)C(=O)NCCO 527a_100000210304_100011215998 [0,1,0,0,0,0|2,0,1]=4 3012 B12R0.648 CCCCNC(C)C(=O)OCCC 2230a_100000102301_100000760410 [0,1,0,0,0,0|1,0,2]=4 3013 B12R0.648 CCCCNC(C)C(=O)OCCC 7a_106832991798_100000760410 [0,1,0,0,0,0|1,0,2]=4 3014 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000037348_100000210210 [0,1,0,0,0,0|1,0,2]=4 3015 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000210227_100000760410 [0,1,0,0,0,0|1,0,2]=4 3016 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000037348_100000210211 [0,1,0,0,0,0|1,0,2]=4 3017 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000210227_100000760410 [0,1,0,0,0,0|1,0,2]=4 3018 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000210211_100000760410 [0,1,0,0,0,0|1,0,2]=4 3019 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000760410_100000210210 [0,1,0,0,0,0|1,0,2]=4 3020 B12R1.7 CCCCCCc1nc(no1)C 270196a_100000212224_100102632555 [0,0,0,1,0,0|2,0,1]=4 3021 B12R1.8 CCCCCCN1CC=CCC1 2230a_100000698166_100000210314 [0,0,0,1,0,0|3,0,0]=4 3022 B12R1.8 CCCCCCN1CC=CCC1 269982a_100000698166_100000210757 [0,0,0,1,0,0|3,0,0]=4 3023 B12R1.8 CCCCCCN1CC=CCC1 34a_100000698166_100000210314 [0,0,0,1,0,0|3,0,0]=4 3024 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,0,0,1,0,0|3,0,0]=4 3025 B12R1.30 C#CCCC(=O)C1CCCCC1 1458a_100000210647_100000753159 [0,0,0,1,0,0|1,0,2]=4 3026 B12R1.30 C#CCCC(=O)C1CCCCC1 1458a_100000692101_100000210327 [0,0,0,1,0,0|1,0,2]=4 3027 B12R1.30 C#CCNC(=O)C1CCCCC1 11a_100000212058_100000210647 [0,0,0,1,0,0|1,0,2]=4 3028 B12R1.30 C#CCNC(=O)C1CCCCC1 1626a_100000212058_100000210647 [0,0,0,1,0,0|1,0,2]=4 3029 B12R1.30 C#CCNC(=O)C1CCCCC1 240690a_100000212058_100000210647 [0,0,0,1,0,0|1,0,2]=4 3030 B12R1.30 C#CCNC(=O)C1CCCCC1 527a_100000212058_100000210647 [0,0,0,1,0,0|1,0,2]=4 3031 B12R1.30 C/C=C/CC(=O)C1CCCCC1 1458a_100000210647_100102629194 [0,0,0,1,0,0|1,0,2]=4 3032 B12R1.30 C=CC=CC(=O)C1CCCCC1 1458a_100016291481_100000210327 [0,0,0,1,0,0|1,0,1]=3 3033 B12R1.30 C=CC=CC(=O)C1CCCOC1 1458a_100016291481_100000693364 [0,0,0,1,0,0|2,0,1]=4 3034 B12R1.30 C=CC=CC(=O)C1CCOCC1 1458a_100016291481_100011324220 [0,0,0,1,0,0|2,0,1]=4 3035 B12R1.30 C=CCCC(=O)C1=CCCCC1 1458a_100000765259_100000754431 [0,0,0,1,0,0|1,0,2]=4 3036 B12R1.30 C=CCCC(=O)C1C=CCCC1 1458a_100000749702_100000751183 [0,0,0,1,0,0|1,0,2]=4 3037 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000210647_100000754431 [0,0,0,1,0,0|1,0,0]=2 3038 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000749702_100000210327 [0,0,0,1,0,0|1,0,0]=2 3039 B12R1.30 C=CCCC(=O)C1CCCCO1 1458a_100000748299_100000754431 [0,0,0,1,0,0|2,0,0]=3 3040 B12R1.30 C=CCCC(=O)C1CCCOC1 1458a_100000741522_100000754431 [0,0,0,1,0,0|2,0,0]=3 3041 B12R1.30 C=CCCC(=O)C1CCCOC1 1458a_100000749702_100000693364 [0,0,0,1,0,0|2,0,0]=3 3042 B12R1.30 C=CCCC(=O)C1CCOCC1 1458a_100000195482_100000754431 [0,0,0,1,0,0|2,0,0]=3 3043 B12R1.30 C=CCCC(=O)C1CCOCC1 1458a_100000749702_100011324220 [0,0,0,1,0,0|2,0,0]=3 3044 B12R1.30 C=CCCC(=O)C1CCSCC1 1458a_100000755232_100000754431 [0,0,0,1,0,0|2,0,0]=3 3045 B12R1.30 C=CCCC(=O)C1COCCO1 1458a_100000045528_100000754431 [0,0,0,1,0,0|3,0,0]=4 3046 B12R1.30 C=CCCC(=O)C1SCCCS1 1458a_100000028545_100000754431 [0,0,0,1,0,0|3,0,0]=4 3047 B12R1.30 C=CCCC(=O)N1CCCOC1 11a_100000131196_100000749702 [0,0,0,1,0,0|3,0,0]=4 3048 B12R1.30 C=CCCC(=O)N1CCCOC1 240690a_100000131196_100000749702 [0,0,0,1,0,0|3,0,0]=4 3049 B12R1.30 C=CCCC(=O)N1CCOCC1 11a_100015191051_100000749702 [0,0,0,1,0,0|3,0,0]=4 3050 B12R1.30 C=CCCC(=O)N1CCOCC1 1626a_100015191051_100000749702 [0,0,0,1,0,0|3,0,0]=4 3051 B12R1.30 C=CCCC(=O)N1CCOCC1 240690a_100015191051_100000749702 [0,0,0,1,0,0|3,0,0]=4 3052 B12R1.30 C=CCCC(=O)N1CCOCC1 527a_100015191051_100000749702 [0,0,0,1,0,0|3,0,0]=4 3053 B12R1.30 C=CCCC(=O)N1CCSCC1 11a_100000737611_100000749702 [0,0,0,1,0,0|3,0,0]=4 3054 B12R1.30 C=CCCC(=O)N1CCSCC1 240690a_100000737611_100000749702 [0,0,0,1,0,0|3,0,0]=4 3055 B12R1.30 C=CCCC(=O)N1CCSCC1 527a_100000737611_100000749702 [0,0,0,1,0,0|3,0,0]=4 3056 B12R1.30 C=CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000754431 [0,0,0,1,0,0|1,0,2]=4 3057 B12R1.30 C=CCCN(C)C1CCCCC1 2230a_100000207522_100000754431 [0,0,0,1,0,0|3,0,0]=4 3058 B12R1.30 C=CCCN(C)C1CCCCC1 269982a_100000207522_100000754431 [0,0,0,1,0,0|3,0,0]=4 3059 B12R1.30 C=CCCN(C)C1CCCCC1 269982a_100020639649_100000210327 [0,0,0,1,0,0|3,0,0]=4 3060 B12R1.30 C=CCCN(C)C1CCCCC1 270004a_100020639649_100000210434 [0,0,0,1,0,0|3,0,0]=4 3061 B12R1.30 C=CCCN(C)C1CCCCC1 34a_100000207522_100000754431 [0,0,0,1,0,0|3,0,0]=4 3062 B12R1.30 C=CCNC(=O)C1=CCCCC1 1626a_100020586998_100000765259 [0,0,0,1,0,0|1,0,2]=4 3063 B12R1.30 C=CCNC(=O)C1=CCCCC1 240690a_100020586998_100000765259 [0,0,0,1,0,0|1,0,2]=4 3064 B12R1.30 C=CCNC(=O)C1=CCCCC1 527a_100020586998_100000765259 [0,0,0,1,0,0|1,0,2]=4 3065 B12R1.30 C=CCNC(=O)C1CCCCC1 1626a_100020586998_100000210647 [0,0,0,1,0,0|1,0,0]=2 3066 B12R1.30 C=CCNC(=O)C1CCCCC1 240690a_100020586998_100000210647 [0,0,0,1,0,0|1,0,0]=2 3067 B12R1.30 C=CCNC(=O)C1CCCCC1 527a_100020586998_100000210647 [0,0,0,1,0,0|1,0,0]=2 3068 B12R1.30 C=CCNC(=O)C1CCCCO1 1626a_100020586998_100000748299 [0,0,0,1,0,0|2,0,0]=3 3069 B12R1.30 C=CCNC(=O)C1CCCCO1 240690a_100020586998_100000748299 [0,0,0,1,0,0|2,0,0]=3 3070 B12R1.30 C=CCNC(=O)C1CCCCO1 527a_100020586998_100000748299 [0,0,0,1,0,0|2,0,0]=3 3071 B12R1.30 C=CCNC(=O)C1CCCOC1 1626a_100020586998_100000741522 [0,0,0,1,0,0|2,0,0]=3 3072 B12R1.30 C=CCNC(=O)C1CCCOC1 240690a_100020586998_100000741522 [0,0,0,1,0,0|2,0,0]=3 3073 B12R1.30 C=CCNC(=O)C1CCCOC1 527a_100020586998_100000741522 [0,0,0,1,0,0|2,0,0]=3 3074 B12R1.30 C=CCNC(=O)C1CCOCC1 1626a_100020586998_100000195482 [0,0,0,1,0,0|2,0,0]=3 3075 B12R1.30 C=CCNC(=O)C1CCOCC1 240690a_100020586998_100000195482 [0,0,0,1,0,0|2,0,0]=3 3076 B12R1.30 C=CCNC(=O)C1CCOCC1 527a_100020586998_100000195482 [0,0,0,1,0,0|2,0,0]=3 3077 B12R1.30 C=CCNC(=O)C1CCSCC1 1626a_100020586998_100000755232 [0,0,0,1,0,0|2,0,0]=3 3078 B12R1.30 C=CCNC(=O)C1CCSCC1 240690a_100020586998_100000755232 [0,0,0,1,0,0|2,0,0]=3 3079 B12R1.30 C=CCNC(=O)C1CCSCC1 527a_100020586998_100000755232 [0,0,0,1,0,0|2,0,0]=3 3080 B12R1.30 C=CCNC(=O)C1COCCO1 1626a_100020586998_100000045528 [0,0,0,1,0,0|3,0,0]=4 3081 B12R1.30 C=CCNC(=O)C1COCCO1 240690a_100020586998_100000045528 [0,0,0,1,0,0|3,0,0]=4 3082 B12R1.30 C=CCNC(=O)C1COCCO1 527a_100020586998_100000045528 [0,0,0,1,0,0|3,0,0]=4 3083 B12R1.30 C=CCNC(=O)C1SCCCS1 1626a_100020586998_100000028545 [0,0,0,1,0,0|3,0,0]=4 3084 B12R1.30 C=CCNC(=O)C1SCCCS1 240690a_100020586998_100000028545 [0,0,0,1,0,0|3,0,0]=4 3085 B12R1.30 C=CCNC(=O)C1SCCCS1 527a_100020586998_100000028545 [0,0,0,1,0,0|3,0,0]=4 3086 B12R1.30 C=CCNC(=O)N1CCCOC1 273464a_100020586998_100000131196 [0,0,0,1,0,0|3,0,0]=4 3087 B12R1.30 C=CCNC(=O)N1CCOCC1 273464a_100020586998_100015191051 [0,0,0,1,0,0|3,0,0]=4 3088 B12R1.30 C=CCNC(=O)N1CCSCC1 273464a_100020586998_100000737611 [0,0,0,1,0,0|3,0,0]=4 3089 B12R1.30 C=CCNC(=O)[C@H]1CC=CCC1 1626a_100020586998_100009820709 [0,0,0,1,0,0|1,0,2]=4 3090 B12R1.30 C=CCNC(=O)[C@H]1CC=CCC1 240690a_100020586998_100009820709 [0,0,0,1,0,0|1,0,2]=4 3091 B12R1.30 C=CCNC(=O)[C@H]1CC=CCC1 527a_100020586998_100009820709 [0,0,0,1,0,0|1,0,2]=4 3092 B12R1.30 C=CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210623 [0,0,0,1,0,0|2,0,1]=4 3093 B12R1.30 C=CCN[C@H](C)C1CCCCC1 34a_100025707633_100015514636 [0,0,0,1,0,0|2,0,1]=4 3094 B12R1.30 C=CCOC(C)C1CCCCC1 34a_100011216961_100015514636 [0,0,0,1,0,0|1,0,1]=3 3095 B12R1.30 C=CCOC(C)C1CCCCC1 7a_100011216961_100015514636 [0,0,0,1,0,0|1,0,1]=3 3096 B12R1.30 C=CCOC(C)C1CCCNC1 34a_100000740858_100015514636 [0,0,0,1,0,0|2,0,1]=4 3097 B12R1.30 C=CCOC(C)C1CCNCC1 34a_100011728446_100015514636 [0,0,0,1,0,0|2,0,1]=4 3098 B12R1.30 C=CCO[C@H](C)C1CCOCC1 34a_100000703848_100015514636 [0,0,0,1,0,0|2,0,1]=4 3099 B12R1.30 C=CCO[C@H](C)C1CCOCC1 7a_100000703848_100015514636 [0,0,0,1,0,0|2,0,1]=4 3100 B12R1.30 CC(OCC=O)C1CCCCC1 34a_100011216961_200009817547 [0,0,0,1,0,0|2,0,1]=4 3101 B12R1.30 CC(OCC=O)C1CCCCC1 7a_100011216961_200015260668 [0,0,0,1,0,0|2,0,1]=4 3102 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100000210647_100000070051 [0,0,0,1,0,0|1,0,2]=4 3103 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100121576822_100000210327 [0,0,0,1,0,0|1,0,2]=4 3104 B12R1.30 CC=NNC(=O)C1CCCCC1 4a_100000184180_200000210099 [0,0,0,1,0,0|2,0,1]=4 3105 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [0,0,0,1,0,0|1,0,2]=4 3106 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [0,0,0,1,0,0|1,0,2]=4 3107 B12R1.30 CCCNC(=O)C1CCCCC1 11a_100020643023_100000210647 [0,0,0,1,0,0|1,0,2]=4 3108 B12R1.30 CCCNC(=O)C1CCCCC1 1626a_100020643023_100000210647 [0,0,0,1,0,0|1,0,2]=4 3109 B12R1.30 CCCNC(=O)C1CCCCC1 240690a_100020643023_100000210647 [0,0,0,1,0,0|1,0,2]=4 3110 B12R1.30 CCCNC(=O)C1CCCCC1 527a_100020643023_100000210647 [0,0,0,1,0,0|1,0,2]=4 3111 B12R1.30 CNCOC(=O)C1CCCCC1 2230a_106832991635_100009893799 [0,0,0,1,0,0|1,0,1]=3 3112 B12R1.30 CNCOC(=O)C1CCCCC1 34a_100102657272_100009893799 [0,0,0,1,0,0|1,0,1]=3 3113 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000210647_100000233755 [0,0,0,1,0,0|2,0,1]=4 3114 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000749529_100000210327 [0,0,0,1,0,0|2,0,1]=4 3115 B12R1.30 COCOC(=O)C1CCCCC1 34a_100138415774_100009893799 [0,0,0,1,0,0|1,0,1]=3 3116 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000174002_100000210327 [0,0,0,1,0,0|2,0,1]=4 3117 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000210647_100000751147 [0,0,0,1,0,0|2,0,1]=4 3118 B12R1.30 CSCOC(=O)C1CCCCC1 62a_100009893799_200000210301 [0,0,0,1,0,0|1,0,1]=3 3119 B12R1.30 CSCOC(=O)C1CCCCC1 62a_200000210301_100009893799 [0,0,0,1,0,0|1,0,1]=3 3120 B12R1.30 N#CCCC(=O)C1CCCCC1 1458a_100000210647_100011215226 [0,0,0,1,0,0|2,0,1]=4 3121 B12R1.30 N#CCCC(=O)C1CCCCC1 1458a_100011934036_100000210327 [0,0,0,1,0,0|2,0,1]=4 3122 B12R1.30 N#CCNC(=O)C1CCCCC1 1626a_100000734998_100000210647 [0,0,0,1,0,0|2,0,1]=4 3123 B12R1.30 N#CCNC(=O)C1CCCCC1 527a_100000734998_100000210647 [0,0,0,1,0,0|2,0,1]=4 3124 B12R1.30 O=C(CCCF)C1CCCCC1 1458a_100000210647_100011934791 [0,0,0,1,0,0|2,0,1]=4 3125 B12R1.30 O=C(CCCO)C1CCCCC1 1458a_100000210647_100011215043 [0,0,0,1,0,0|2,0,1]=4 3126 B12R1.30 O=C(NCCF)C1CCCCC1 11a_100000724931_100000210647 [0,0,0,1,0,0|2,0,1]=4 3127 B12R1.30 O=C(NCCF)C1CCCCC1 1626a_100000724931_100000210647 [0,0,0,1,0,0|2,0,1]=4 3128 B12R1.30 O=C(NCCF)C1CCCCC1 240690a_100000724931_100000210647 [0,0,0,1,0,0|2,0,1]=4 3129 B12R1.30 O=C(NCCF)C1CCCCC1 527a_100000724931_100000210647 [0,0,0,1,0,0|2,0,1]=4 3130 B12R1.30 O=C(NCCO)C1CCCCC1 240690a_100000210304_100000210647 [0,0,0,1,0,0|2,0,1]=4 3131 B12R1.30 O=C(NCCO)C1CCCCC1 527a_100000210304_100000210647 [0,0,0,1,0,0|2,0,1]=4 3132 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_100009893799_200025704644 [0,0,0,1,0,0|1,0,1]=3 3133 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_200025704644_100009893799 [0,0,0,1,0,0|1,0,1]=3 3134 B12R1.53 C#CCCC(=O)CC1CCCC1 1458a_100000210891_100000753159 [0,0,0,1,0,0|1,0,2]=4 3135 B12R1.53 C#CCCC(=O)CC1CCCC1 1458a_100000692101_100000740388 [0,0,0,1,0,0|1,0,2]=4 3136 B12R1.53 C#CCNC(=O)CC1CCCC1 11a_100000212058_100000210891 [0,0,0,1,0,0|1,0,2]=4 3137 B12R1.53 C#CCNC(=O)CC1CCCC1 1626a_100000212058_100000210891 [0,0,0,1,0,0|1,0,2]=4 3138 B12R1.53 C#CCNC(=O)CC1CCCC1 240690a_100000212058_100000210891 [0,0,0,1,0,0|1,0,2]=4 3139 B12R1.53 C#CCNC(=O)CC1CCCC1 527a_100000212058_100000210891 [0,0,0,1,0,0|1,0,2]=4 3140 B12R1.53 C/C=C/CC(=O)CC1CCCC1 1458a_100000210891_100102629194 [0,0,0,1,0,0|1,0,2]=4 3141 B12R1.53 C=CC=CC(=O)CC1CCCC1 1458a_100016291481_100000740388 [0,0,0,1,0,0|1,0,1]=3 3142 B12R1.53 C=CC=CC(=O)CC1CCCO1 1458a_100016291481_100000203698 [0,0,0,1,0,0|2,0,1]=4 3143 B12R1.53 C=CC=CC(=O)CC1CCOC1 1458a_100016291481_100000702531 [0,0,0,1,0,0|2,0,1]=4 3144 B12R1.53 C=CC=CC(=O)NC1CCCC1 1626a_100000211070_100016291481 [0,0,0,1,0,0|2,0,1]=4 3145 B12R1.53 C=CCCC(=O)C=C1CCCC1 1458a_100000743260_100000754431 [0,0,0,1,0,0|1,0,2]=4 3146 B12R1.53 C=CCCC(=O)CC1=CCCC1 1458a_100000050221_100000754431 [0,0,0,1,0,0|1,0,2]=4 3147 B12R1.53 C=CCCC(=O)CC1C=CCC1 1458a_100000212241_100000754431 [0,0,0,1,0,0|1,0,2]=4 3148 B12R1.53 C=CCCC(=O)CC1CC=CC1 1458a_200000137526_100000754431 [0,0,0,1,0,0|1,0,2]=4 3149 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000210891_100000754431 [0,0,0,1,0,0|1,0,0]=2 3150 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000749702_100000740388 [0,0,0,1,0,0|1,0,0]=2 3151 B12R1.53 C=CCCC(=O)CC1CCCO1 1458a_100000749702_100000203698 [0,0,0,1,0,0|2,0,0]=3 3152 B12R1.53 C=CCCC(=O)CC1CCOC1 1458a_100000749702_100000702531 [0,0,0,1,0,0|2,0,0]=3 3153 B12R1.53 C=CCCC(=O)CC1CCOC1 1458a_100011218419_100000754431 [0,0,0,1,0,0|2,0,0]=3 3154 B12R1.53 C=CCCC(=O)CC1OCCO1 1458a_100000749702_100000755774 [0,0,0,1,0,0|3,0,0]=4 3155 B12R1.53 C=CCCC(=O)CN1CCCC1 1458a_100000740243_100000754431 [0,0,0,1,0,0|2,0,0]=3 3156 B12R1.53 C=CCCC(=O)NC1CCCC1 11a_100000211070_100000749702 [0,0,0,1,0,0|2,0,0]=3 3157 B12R1.53 C=CCCC(=O)NC1CCCC1 1626a_100000211070_100000749702 [0,0,0,1,0,0|2,0,0]=3 3158 B12R1.53 C=CCCC(=O)NC1CCCC1 240690a_100000211070_100000749702 [0,0,0,1,0,0|2,0,0]=3 3159 B12R1.53 C=CCCC(=O)NC1CCCC1 527a_100000211070_100000749702 [0,0,0,1,0,0|2,0,0]=3 3160 B12R1.53 C=CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000749702 [0,0,0,1,0,0|3,0,0]=4 3161 B12R1.53 C=CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000749702 [0,0,0,1,0,0|3,0,0]=4 3162 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000749702 [0,0,0,1,0,0|3,0,0]=4 3163 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000749702 [0,0,0,1,0,0|3,0,0]=4 3164 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000749702 [0,0,0,1,0,0|3,0,0]=4 3165 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000749702 [0,0,0,1,0,0|3,0,0]=4 3166 B12R1.53 C=CCCN(C)CC1CCCC1 2230a_100020639649_100000740388 [0,0,0,1,0,0|3,0,0]=4 3167 B12R1.53 C=CCCN(C)CC1CCCC1 269982a_100020639649_100000740388 [0,0,0,1,0,0|3,0,0]=4 3168 B12R1.53 C=CCNC(=O)C=C1CCCC1 1626a_100020586998_100000743260 [0,0,0,1,0,0|1,0,2]=4 3169 B12R1.53 C=CCNC(=O)C=C1CCCC1 240690a_100020586998_100000743260 [0,0,0,1,0,0|1,0,2]=4 3170 B12R1.53 C=CCNC(=O)C=C1CCCC1 527a_100020586998_100000743260 [0,0,0,1,0,0|1,0,2]=4 3171 B12R1.53 C=CCNC(=O)CC1=CCCC1 1626a_100020586998_100000050221 [0,0,0,1,0,0|1,0,2]=4 3172 B12R1.53 C=CCNC(=O)CC1=CCCC1 240690a_100020586998_100000050221 [0,0,0,1,0,0|1,0,2]=4 3173 B12R1.53 C=CCNC(=O)CC1=CCCC1 527a_100020586998_100000050221 [0,0,0,1,0,0|1,0,2]=4 3174 B12R1.53 C=CCNC(=O)CC1C=CCC1 1626a_100020586998_100000212241 [0,0,0,1,0,0|1,0,2]=4 3175 B12R1.53 C=CCNC(=O)CC1C=CCC1 240690a_100020586998_100000212241 [0,0,0,1,0,0|1,0,2]=4 3176 B12R1.53 C=CCNC(=O)CC1C=CCC1 527a_100020586998_100000212241 [0,0,0,1,0,0|1,0,2]=4 3177 B12R1.53 C=CCNC(=O)CC1CC=CC1 1626a_100020586998_200000137526 [0,0,0,1,0,0|1,0,2]=4 3178 B12R1.53 C=CCNC(=O)CC1CC=CC1 240690a_100020586998_200000137526 [0,0,0,1,0,0|1,0,2]=4 3179 B12R1.53 C=CCNC(=O)CC1CC=CC1 527a_100020586998_200000137526 [0,0,0,1,0,0|1,0,2]=4 3180 B12R1.53 C=CCNC(=O)CC1CCCC1 1626a_100020586998_100000210891 [0,0,0,1,0,0|1,0,0]=2 3181 B12R1.53 C=CCNC(=O)CC1CCCC1 240690a_100020586998_100000210891 [0,0,0,1,0,0|1,0,0]=2 3182 B12R1.53 C=CCNC(=O)CC1CCCC1 527a_100020586998_100000210891 [0,0,0,1,0,0|1,0,0]=2 3183 B12R1.53 C=CCNC(=O)CC1CCOC1 1626a_100020586998_100011218419 [0,0,0,1,0,0|2,0,0]=3 3184 B12R1.53 C=CCNC(=O)CC1CCOC1 240690a_100020586998_100011218419 [0,0,0,1,0,0|2,0,0]=3 3185 B12R1.53 C=CCNC(=O)CC1CCOC1 527a_100020586998_100011218419 [0,0,0,1,0,0|2,0,0]=3 3186 B12R1.53 C=CCNC(=O)CN1CCCC1 2230a_100000188435_100000183597 [0,0,0,1,0,0|2,0,0]=3 3187 B12R1.53 C=CCNC(=O)CN1CCCC1 240690a_100020586998_100000740243 [0,0,0,1,0,0|2,0,0]=3 3188 B12R1.53 C=CCNC(=O)CN1CCCC1 269982a_100000188435_100000183597 [0,0,0,1,0,0|2,0,0]=3 3189 B12R1.53 C=CCNC(=O)CN1CCCC1 527a_100020586998_100000740243 [0,0,0,1,0,0|2,0,0]=3 3190 B12R1.53 C=CCNC(=O)CN1CCSC1 2230a_100011215254_100000183597 [0,0,0,1,0,0|3,0,0]=4 3191 B12R1.53 C=CCNC(=O)CN1CCSC1 269982a_100011215254_100000183597 [0,0,0,1,0,0|3,0,0]=4 3192 B12R1.53 C=CCNC(=O)NC1CCCC1 2708a_100000211070_100020586998 [0,0,0,1,0,0|2,0,0]=3 3193 B12R1.53 C=CCNC(=O)NC1CCCC1 273464a_100000211070_100020586998 [0,0,0,1,0,0|2,0,0]=3 3194 B12R1.53 C=CCNC(=O)NC1CCCC1 273464a_100020586998_100000211070 [0,0,0,1,0,0|2,0,0]=3 3195 B12R1.53 C=CCNC(=O)NC1CCCC1 512a_100000211070_100020586998 [0,0,0,1,0,0|2,0,0]=3 3196 B12R1.53 C=CCNC(=O)NC1CCCC1 512a_100020586998_100000211070 [0,0,0,1,0,0|2,0,0]=3 3197 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100020586998 [0,0,0,1,0,0|3,0,0]=4 3198 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 273464a_100020586998_200015188469 [0,0,0,1,0,0|3,0,0]=4 3199 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100020586998 [0,0,0,1,0,0|3,0,0]=4 3200 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 512a_100020586998_200015188469 [0,0,0,1,0,0|3,0,0]=4 3201 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100020586998 [0,0,0,1,0,0|3,0,0]=4 3202 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100020586998 [0,0,0,1,0,0|3,0,0]=4 3203 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 273464a_100020586998_100015188467 [0,0,0,1,0,0|3,0,0]=4 3204 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100020586998 [0,0,0,1,0,0|3,0,0]=4 3205 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 512a_100020586998_100015188467 [0,0,0,1,0,0|3,0,0]=4 3206 B12R1.53 C=CCNC(C)CC1CCCC1 270004a_100020586998_100000692464 [0,0,0,1,0,0|2,0,1]=4 3207 B12R1.53 C=CCOC(=O)CN1CC=CC1 269982a_100015195280_100000033060 [0,0,0,1,0,0|1,0,2]=4 3208 B12R1.53 C=CCOC(=O)CN1CCCC1 2230a_100000188435_100000033060 [0,0,0,1,0,0|1,0,0]=2 3209 B12R1.53 C=CCOC(=O)CN1CCCC1 269982a_100000188435_100000033060 [0,0,0,1,0,0|1,0,0]=2 3210 B12R1.53 C=CCOC(=O)CN1CCSC1 2230a_100011215254_100000033060 [0,0,0,1,0,0|2,0,0]=3 3211 B12R1.53 C=CCOC(=O)CN1CCSC1 269982a_100011215254_100000033060 [0,0,0,1,0,0|2,0,0]=3 3212 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100000210891_100000070051 [0,0,0,1,0,0|1,0,2]=4 3213 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100121576822_100000740388 [0,0,0,1,0,0|1,0,2]=4 3214 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,0,0,1,0,0|1,0,2]=4 3215 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,0,0,1,0,0|1,0,2]=4 3216 B12R1.53 CCCNC(=O)CC1CCCC1 11a_100020643023_100000210891 [0,0,0,1,0,0|1,0,2]=4 3217 B12R1.53 CCCNC(=O)CC1CCCC1 1626a_100020643023_100000210891 [0,0,0,1,0,0|1,0,2]=4 3218 B12R1.53 CCCNC(=O)CC1CCCC1 240690a_100020643023_100000210891 [0,0,0,1,0,0|1,0,2]=4 3219 B12R1.53 CCCNC(=O)CC1CCCC1 527a_100020643023_100000210891 [0,0,0,1,0,0|1,0,2]=4 3220 B12R1.53 CCCOC(=O)CN1CCCC1 2230a_100000188435_200011215008 [0,0,0,1,0,0|1,0,2]=4 3221 B12R1.53 CCCOC(=O)CN1CCCC1 269982a_100000188435_200011215008 [0,0,0,1,0,0|1,0,2]=4 3222 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000210891_100000233755 [0,0,0,1,0,0|2,0,1]=4 3223 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000749529_100000740388 [0,0,0,1,0,0|2,0,1]=4 3224 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000174002_100000740388 [0,0,0,1,0,0|2,0,1]=4 3225 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000210891_100000751147 [0,0,0,1,0,0|2,0,1]=4 3226 B12R1.53 N#CCCC(=O)CC1CCCC1 1458a_100000210891_100011215226 [0,0,0,1,0,0|2,0,1]=4 3227 B12R1.53 N#CCCC(=O)CC1CCCC1 1458a_100011934036_100000740388 [0,0,0,1,0,0|2,0,1]=4 3228 B12R1.53 N#CCNC(=O)CC1CCCC1 1626a_100000734998_100000210891 [0,0,0,1,0,0|2,0,1]=4 3229 B12R1.53 N#CCNC(=O)CC1CCCC1 527a_100000734998_100000210891 [0,0,0,1,0,0|2,0,1]=4 3230 B12R1.53 O=C(CC1CCCC1)NCCF 11a_100000724931_100000210891 [0,0,0,1,0,0|2,0,1]=4 3231 B12R1.53 O=C(CC1CCCC1)NCCF 1626a_100000724931_100000210891 [0,0,0,1,0,0|2,0,1]=4 3232 B12R1.53 O=C(CC1CCCC1)NCCF 240690a_100000724931_100000210891 [0,0,0,1,0,0|2,0,1]=4 3233 B12R1.53 O=C(CC1CCCC1)NCCF 527a_100000724931_100000210891 [0,0,0,1,0,0|2,0,1]=4 3234 B12R1.53 O=C(CC1CCCC1)NCCO 240690a_100000210304_100000210891 [0,0,0,1,0,0|2,0,1]=4 3235 B12R1.53 O=C(CC1CCCC1)NCCO 527a_100000210304_100000210891 [0,0,0,1,0,0|2,0,1]=4 3236 B12R1.53 O=C(CCCF)CC1CCCC1 1458a_100000210891_100011934791 [0,0,0,1,0,0|2,0,1]=4 3237 B12R1.53 O=C(CCCO)CC1CCCC1 1458a_100000210891_100011215043 [0,0,0,1,0,0|2,0,1]=4 3238 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,0,0,1,0,0|1,0,2]=4 3239 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,0,0,1,0,0|1,0,2]=4 3240 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [0,0,0,1,0,0|3,0,0]=4 3241 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [0,0,0,1,0,0|3,0,0]=4 3242 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [0,0,0,1,0,0|3,0,0]=4 3243 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [0,0,0,1,0,0|2,0,1]=4 3244 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [0,0,0,1,0,0|2,0,1]=4 3245 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [0,0,0,1,0,0|2,0,1]=4 3246 B12R1.329 C=CCOC1C=CCCCCC1 34a_100000688657_100015514636 [0,0,0,1,0,0|1,0,2]=4 3247 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,0,0,1,0,0|1,0,1]=3 3248 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,0,0,1,0,0|1,0,1]=3 3249 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,0,0,1,0,0|2,0,1]=4 3250 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,0,0,1,0,0|2,0,1]=4 3251 B12R1.340 C=CCNC1CCC(C1)CCC 270004a_100020586998_200012087856 [0,0,0,1,0,0|2,0,1]=4 3252 B12R1.382 C=CCNC1CCCC(C1)CC 270004a_100020586998_100000756783 [0,0,0,1,0,0|2,0,1]=4 3253 B12R1.382 C=CCOC1CCCC(C1)CC 7a_100011985506_100015514636 [0,0,0,1,0,0|1,0,1]=3 3254 B12R1.382 C=CCOC1CCCC(C1)CN 34a_100011254705_100015514636 [0,0,0,1,0,0|2,0,1]=4 3255 B12R1.382 CCC1CCCC(C1)OCC=O 7a_100011985506_200015260668 [0,0,0,1,0,0|2,0,1]=4 3256 B12R1.460 C#CCCC(=O)C1CCCC1C 1458a_100000690547_100000753159 [0,0,0,1,0,0|1,0,2]=4 3257 B12R1.460 C#CCNC(=O)C1CCCC1C 11a_100000212058_100000690547 [0,0,0,1,0,0|1,0,2]=4 3258 B12R1.460 C#CCNC(=O)C1CCCC1C 1626a_100000212058_100000690547 [0,0,0,1,0,0|1,0,2]=4 3259 B12R1.460 C#CCNC(=O)C1CCCC1C 240690a_100000212058_100000690547 [0,0,0,1,0,0|1,0,2]=4 3260 B12R1.460 C#CCNC(=O)C1CCCC1C 527a_100000212058_100000690547 [0,0,0,1,0,0|1,0,2]=4 3261 B12R1.460 C/C=C/CC(=O)C1CCCC1C 1458a_100000690547_100102629194 [0,0,0,1,0,0|1,0,2]=4 3262 B12R1.460 C=CCCC(=O)C1CCCC1=O 1458a_100000749702_100000211823 [0,0,0,1,0,0|2,0,1]=4 3263 B12R1.460 C=CCCC(=O)C1CCCC1C 1458a_100000690547_100000754431 [0,0,0,1,0,0|1,0,0]=2 3264 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749702 [0,0,0,1,0,0|2,0,0]=3 3265 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749702 [0,0,0,1,0,0|2,0,0]=3 3266 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749702 [0,0,0,1,0,0|2,0,0]=3 3267 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749702 [0,0,0,1,0,0|2,0,0]=3 3268 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749702 [0,0,0,1,0,0|2,0,0]=3 3269 B12R1.460 C=CCCC(=O)N1CCSC1C 11a_200011216479_100000749702 [0,0,0,1,0,0|3,0,0]=4 3270 B12R1.460 C=CCCC(=O)N1CCSC1C 1626a_200011216479_100000749702 [0,0,0,1,0,0|3,0,0]=4 3271 B12R1.460 C=CCCC(=O)N1CCSC1C 240690a_200011216479_100000749702 [0,0,0,1,0,0|3,0,0]=4 3272 B12R1.460 C=CCCC(=O)N1CCSC1C 527a_200011216479_100000749702 [0,0,0,1,0,0|3,0,0]=4 3273 B12R1.460 C=CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000754431 [0,0,0,1,0,0|2,0,0]=3 3274 B12R1.460 C=CCNC(=O)C1CCCC1C 1626a_100020586998_100000690547 [0,0,0,1,0,0|1,0,0]=2 3275 B12R1.460 C=CCNC(=O)C1CCCC1C 240690a_100020586998_100000690547 [0,0,0,1,0,0|1,0,0]=2 3276 B12R1.460 C=CCNC(=O)C1CCCC1C 527a_100020586998_100000690547 [0,0,0,1,0,0|1,0,0]=2 3277 B12R1.460 C=CCNC(=O)C1CSCN1C 240690a_100020586998_100020666735 [0,0,0,1,0,0|3,0,0]=4 3278 B12R1.460 C=CCNC(=O)N1CCC[C@@H]1C 273464a_100020586998_100020605311 [0,0,0,1,0,0|2,0,0]=3 3279 B12R1.460 C=CCNC(=O)N1CCC[C@H]1C 273464a_100020586998_100015189458 [0,0,0,1,0,0|2,0,0]=3 3280 B12R1.460 C=CCNC(=O)N1CCSC1C 273464a_100020586998_200011216479 [0,0,0,1,0,0|3,0,0]=4 3281 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C 240690a_100020586998_100009816429 [0,0,0,1,0,0|2,0,0]=3 3282 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C 527a_100020586998_100009816429 [0,0,0,1,0,0|2,0,0]=3 3283 B12R1.460 C=CCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100015514636 [0,0,0,1,0,0|2,0,1]=4 3284 B12R1.460 CC1CCCC1C(=O)CCC#N 1458a_100000690547_100011215226 [0,0,0,1,0,0|2,0,1]=4 3285 B12R1.460 CC1CCCC1C(=O)CCCF 1458a_100000690547_100011934791 [0,0,0,1,0,0|2,0,1]=4 3286 B12R1.460 CC1CCCC1C(=O)CCCO 1458a_100000690547_100011215043 [0,0,0,1,0,0|2,0,1]=4 3287 B12R1.460 CC1CCCC1C(=O)NCC#N 1626a_100000734998_100000690547 [0,0,0,1,0,0|2,0,1]=4 3288 B12R1.460 CC1CCCC1C(=O)NCC#N 527a_100000734998_100000690547 [0,0,0,1,0,0|2,0,1]=4 3289 B12R1.460 CC1CCCC1C(=O)NCCF 11a_100000724931_100000690547 [0,0,0,1,0,0|2,0,1]=4 3290 B12R1.460 CC1CCCC1C(=O)NCCF 1626a_100000724931_100000690547 [0,0,0,1,0,0|2,0,1]=4 3291 B12R1.460 CC1CCCC1C(=O)NCCF 240690a_100000724931_100000690547 [0,0,0,1,0,0|2,0,1]=4 3292 B12R1.460 CC1CCCC1C(=O)NCCF 527a_100000724931_100000690547 [0,0,0,1,0,0|2,0,1]=4 3293 B12R1.460 CC1CCCC1C(=O)NCCO 240690a_100000210304_100000690547 [0,0,0,1,0,0|2,0,1]=4 3294 B12R1.460 CC1CCCC1C(=O)NCCO 527a_100000210304_100000690547 [0,0,0,1,0,0|2,0,1]=4 3295 B12R1.460 CC=CCC(=O)C1CCCC1C 1458a_100000690547_100000070051 [0,0,0,1,0,0|1,0,2]=4 3296 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [0,0,0,1,0,0|1,0,2]=4 3297 B12R1.460 CCCNC(=O)C1CCCC1C 11a_100020643023_100000690547 [0,0,0,1,0,0|1,0,2]=4 3298 B12R1.460 CCCNC(=O)C1CCCC1C 1626a_100020643023_100000690547 [0,0,0,1,0,0|1,0,2]=4 3299 B12R1.460 CCCNC(=O)C1CCCC1C 240690a_100020643023_100000690547 [0,0,0,1,0,0|1,0,2]=4 3300 B12R1.460 CCCNC(=O)C1CCCC1C 527a_100020643023_100000690547 [0,0,0,1,0,0|1,0,2]=4 3301 B12R1.460 COCCC(=O)C1CCCC1C 1458a_100000690547_100000233755 [0,0,0,1,0,0|2,0,1]=4 3302 B12R1.460 CSCCC(=O)C1CCCC1C 1458a_100000690547_100000751147 [0,0,0,1,0,0|2,0,1]=4 3303 B12R1.463 C=CC=CC(=O)NCC1CCC1 1626a_100000738700_100016291481 [0,0,0,1,0,0|2,0,1]=4 3304 B12R1.463 C=CCCC(=O)NCC1CCC1 11a_100000738700_100000749702 [0,0,0,1,0,0|2,0,0]=3 3305 B12R1.463 C=CCCC(=O)NCC1CCC1 1626a_100000738700_100000749702 [0,0,0,1,0,0|2,0,0]=3 3306 B12R1.463 C=CCCC(=O)NCC1CCC1 240690a_100000738700_100000749702 [0,0,0,1,0,0|2,0,0]=3 3307 B12R1.463 C=CCCC(=O)NCC1CCC1 527a_100000738700_100000749702 [0,0,0,1,0,0|2,0,0]=3 3308 B12R1.463 C=CCCC(=O)NCC1COC1 11a_100015281925_100000749702 [0,0,0,1,0,0|3,0,0]=4 3309 B12R1.463 C=CCCC(=O)NCC1COC1 1626a_100015281925_100000749702 [0,0,0,1,0,0|3,0,0]=4 3310 B12R1.463 C=CCCC(=O)NCC1COC1 240690a_100015281925_100000749702 [0,0,0,1,0,0|3,0,0]=4 3311 B12R1.463 C=CCCC(=O)NCC1COC1 527a_100015281925_100000749702 [0,0,0,1,0,0|3,0,0]=4 3312 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000749702 [0,0,0,1,0,0|3,0,0]=4 3313 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000749702 [0,0,0,1,0,0|3,0,0]=4 3314 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000749702 [0,0,0,1,0,0|3,0,0]=4 3315 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000749702 [0,0,0,1,0,0|3,0,0]=4 3316 B12R1.463 C=CCCC(=O)NNC1CCC1 22a_100000736358_100000749702 [0,0,0,1,0,0|3,0,0]=4 3317 B12R1.463 C=CCNC(=O)CCN1CCC1 269982a_100000754969_100011222895 [0,0,0,1,0,0|2,0,0]=3 3318 B12R1.463 C=CCNC(=O)CNC1CCC1 2230a_100000749019_100000183597 [0,0,0,1,0,0|2,0,0]=3 3319 B12R1.463 C=CCNC(=O)CNC1COC1 2230a_100016991112_100000183597 [0,0,0,1,0,0|3,0,0]=4 3320 B12R1.463 C=CCNC(=O)COC1CSC1 7a_100000072292_100000183597 [0,0,0,1,0,0|3,0,0]=4 3321 B12R1.463 C=CCNC(=O)CSC1CCC1 62a_100000183597_100000749161 [0,0,0,1,0,0|2,0,0]=3 3322 B12R1.463 C=CCNC(=O)CSC1COC1 62a_100000183597_100009818527 [0,0,0,1,0,0|3,0,0]=4 3323 B12R1.463 C=CCNC(=O)NCC1CCC1 2708a_100000738700_100020586998 [0,0,0,1,0,0|2,0,0]=3 3324 B12R1.463 C=CCNC(=O)NCC1CCC1 273464a_100000738700_100020586998 [0,0,0,1,0,0|2,0,0]=3 3325 B12R1.463 C=CCNC(=O)NCC1CCC1 273464a_100020586998_100000738700 [0,0,0,1,0,0|2,0,0]=3 3326 B12R1.463 C=CCNC(=O)NCC1CCC1 512a_100000738700_100020586998 [0,0,0,1,0,0|2,0,0]=3 3327 B12R1.463 C=CCNC(=O)NCC1CCC1 512a_100020586998_100000738700 [0,0,0,1,0,0|2,0,0]=3 3328 B12R1.463 C=CCNC(=O)NCC1COC1 2708a_100015281925_100020586998 [0,0,0,1,0,0|3,0,0]=4 3329 B12R1.463 C=CCNC(=O)NCC1COC1 273464a_100015281925_100020586998 [0,0,0,1,0,0|3,0,0]=4 3330 B12R1.463 C=CCNC(=O)NCC1COC1 273464a_100020586998_100015281925 [0,0,0,1,0,0|3,0,0]=4 3331 B12R1.463 C=CCNC(=O)NCC1COC1 512a_100015281925_100020586998 [0,0,0,1,0,0|3,0,0]=4 3332 B12R1.463 C=CCNC(=O)NCC1COC1 512a_100020586998_100015281925 [0,0,0,1,0,0|3,0,0]=4 3333 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100020586998 [0,0,0,1,0,0|3,0,0]=4 3334 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 273464a_100020586998_100020831831 [0,0,0,1,0,0|3,0,0]=4 3335 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100020586998 [0,0,0,1,0,0|3,0,0]=4 3336 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 512a_100020586998_100020831831 [0,0,0,1,0,0|3,0,0]=4 3337 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100020586998 [0,0,0,1,0,0|3,0,0]=4 3338 B12R1.463 C=CCNC(=O)NNC1CCC1 273464a_100020586998_100000736358 [0,0,0,1,0,0|3,0,0]=4 3339 B12R1.463 C=CCNC(=O)NNC1CCC1 512a_100000736358_100020586998 [0,0,0,1,0,0|3,0,0]=4 3340 B12R1.463 C=CCNC(=O)NNC1CCC1 512a_100020586998_100000736358 [0,0,0,1,0,0|3,0,0]=4 3341 B12R1.463 C=CCOC(=O)CNC1CCC1 2230a_100000749019_100000033060 [0,0,0,1,0,0|1,0,0]=2 3342 B12R1.463 C=CCOC(=O)CNC1CCC1 34a_100000749019_100000033060 [0,0,0,1,0,0|1,0,0]=2 3343 B12R1.463 C=CCOC(=O)CNC1COC1 2230a_100016991112_100000033060 [0,0,0,1,0,0|2,0,0]=3 3344 B12R1.463 C=CCOC(=O)COC1CCC1 34a_100000748187_100000033060 [0,0,0,1,0,0|1,0,0]=2 3345 B12R1.463 C=CCOC(=O)COC1CSC1 7a_100000072292_100000033060 [0,0,0,1,0,0|2,0,0]=3 3346 B12R1.463 C=CCOC(=O)CSC1CCC1 62a_100000033060_100000749161 [0,0,0,1,0,0|1,0,0]=2 3347 B12R1.463 C=CCOC(=O)CSC1COC1 62a_100000033060_100009818527 [0,0,0,1,0,0|2,0,0]=3 3348 B12R1.463 CCCOC(=O)CNC1CCC1 2230a_100000749019_200011215008 [0,0,0,1,0,0|1,0,2]=4 3349 B12R1.463 CCCOC(=O)CNC1CCC1 34a_100000749019_200011215008 [0,0,0,1,0,0|1,0,2]=4 3350 B12R1.463 CCCOC(=O)COC1CCC1 34a_100000748187_200011215008 [0,0,0,1,0,0|1,0,2]=4 3351 B12R1.463 CCCOC(=O)CSC1CCC1 62a_200011215008_100000749161 [0,0,0,1,0,0|1,0,2]=4 3352 B12R1.464 C=CC=CC(=O)CCCC1CO1 1458a_100016291481_100000733510 [0,0,0,1,0,0|2,0,1]=4 3353 B12R1.464 C=CC=CC(=O)NCCC1CC1 1626a_100000764129_100016291481 [0,0,0,1,0,0|2,0,1]=4 3354 B12R1.464 C=CCCC(=O)CC#CC1CC1 1458a_100000749702_100009895102 [0,0,0,1,0,0|1,0,2]=4 3355 B12R1.464 C=CCCC(=O)CCCC1CO1 1458a_100000749702_100000733510 [0,0,0,1,0,0|2,0,0]=3 3356 B12R1.464 C=CCCC(=O)CSCC1CC1 1458a_200011316215_100000754431 [0,0,0,1,0,0|2,0,0]=3 3357 B12R1.464 C=CCCC(=O)NCCC1CC1 1626a_100000764129_100000749702 [0,0,0,1,0,0|2,0,0]=3 3358 B12R1.464 C=CCCC(=O)NCCC1CC1 240690a_100000764129_100000749702 [0,0,0,1,0,0|2,0,0]=3 3359 B12R1.464 C=CCCC(=O)NCCC1CC1 527a_100000764129_100000749702 [0,0,0,1,0,0|2,0,0]=3 3360 B12R1.464 C=CCCC(=O)NNCC1CC1 22a_100000736359_100000749702 [0,0,0,1,0,0|3,0,0]=4 3361 B12R1.464 C=CCNC(=O)CCSC1CC1 62a_100011222895_100000211595 [0,0,0,1,0,0|2,0,0]=3 3362 B12R1.464 C=CCNC(=O)CNCC1CC1 2230a_100000735609_100000183597 [0,0,0,1,0,0|2,0,0]=3 3363 B12R1.464 C=CCNC(=O)CSCC1CC1 1626a_100020586998_200011316215 [0,0,0,1,0,0|2,0,0]=3 3364 B12R1.464 C=CCNC(=O)CSCC1CC1 240690a_100020586998_200011316215 [0,0,0,1,0,0|2,0,0]=3 3365 B12R1.464 C=CCNC(=O)CSCC1CC1 527a_100020586998_200011316215 [0,0,0,1,0,0|2,0,0]=3 3366 B12R1.464 C=CCNC(=O)CSCC1CC1 62a_100000183597_100000742324 [0,0,0,1,0,0|2,0,0]=3 3367 B12R1.464 C=CCNC(=O)CSCC1CC1 62a_100000756562_100000183597 [0,0,0,1,0,0|2,0,0]=3 3368 B12R1.464 C=CCNC(=O)CSCC1CO1 62a_100000183597_102125554688 [0,0,0,1,0,0|3,0,0]=4 3369 B12R1.464 C=CCNC(=O)CSCC1CO1 62a_102125554688_100000183597 [0,0,0,1,0,0|3,0,0]=4 3370 B12R1.464 C=CCNC(=O)CSCC1CS1 62a_100000031435_100000183597 [0,0,0,1,0,0|3,0,0]=4 3371 B12R1.464 C=CCNC(=O)CSCC1CS1 62a_100000183597_100000031435 [0,0,0,1,0,0|3,0,0]=4 3372 B12R1.464 C=CCNC(=O)CSC[C@@H]1CO1 62a_100000183597_100000745022 [0,0,0,1,0,0|3,0,0]=4 3373 B12R1.464 C=CCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183597 [0,0,0,1,0,0|3,0,0]=4 3374 B12R1.464 C=CCNC(=O)NCCC1CC1 2708a_100000764129_100020586998 [0,0,0,1,0,0|2,0,0]=3 3375 B12R1.464 C=CCNC(=O)NCCC1CC1 273464a_100000764129_100020586998 [0,0,0,1,0,0|2,0,0]=3 3376 B12R1.464 C=CCNC(=O)NCCC1CC1 273464a_100020586998_100000764129 [0,0,0,1,0,0|2,0,0]=3 3377 B12R1.464 C=CCNC(=O)NCCC1CC1 512a_100000764129_100020586998 [0,0,0,1,0,0|2,0,0]=3 3378 B12R1.464 C=CCNC(=O)NCCC1CC1 512a_100020586998_100000764129 [0,0,0,1,0,0|2,0,0]=3 3379 B12R1.464 C=CCNC(=O)NNCC1CC1 273464a_100020586998_100000736359 [0,0,0,1,0,0|3,0,0]=4 3380 B12R1.464 C=CCNC(=O)NNCC1CC1 512a_100000736359_100020586998 [0,0,0,1,0,0|3,0,0]=4 3381 B12R1.464 C=CCNC(=O)NNCC1CC1 512a_100020586998_100000736359 [0,0,0,1,0,0|3,0,0]=4 3382 B12R1.464 C=CCOC(=O)CNCC1CC1 2230a_100000735609_100000033060 [0,0,0,1,0,0|1,0,0]=2 3383 B12R1.464 C=CCOC(=O)CNCC1CC1 34a_100000735609_100000033060 [0,0,0,1,0,0|1,0,0]=2 3384 B12R1.464 C=CCOC(=O)COCC1CC1 34a_100000211283_100000033060 [0,0,0,1,0,0|1,0,0]=2 3385 B12R1.464 C=CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000033060 [0,0,0,1,0,0|2,0,0]=3 3386 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000033060_100000742324 [0,0,0,1,0,0|1,0,0]=2 3387 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000756562_100000033060 [0,0,0,1,0,0|1,0,0]=2 3388 B12R1.464 C=CCOC(=O)CSCC1CO1 62a_100000033060_102125554688 [0,0,0,1,0,0|2,0,0]=3 3389 B12R1.464 C=CCOC(=O)CSCC1CO1 62a_102125554688_100000033060 [0,0,0,1,0,0|2,0,0]=3 3390 B12R1.464 C=CCOC(=O)CSCC1CS1 62a_100000031435_100000033060 [0,0,0,1,0,0|2,0,0]=3 3391 B12R1.464 C=CCOC(=O)CSCC1CS1 62a_100000033060_100000031435 [0,0,0,1,0,0|2,0,0]=3 3392 B12R1.464 C=CCOC(=O)CSC[C@@H]1CO1 62a_100000033060_100000745022 [0,0,0,1,0,0|2,0,0]=3 3393 B12R1.464 C=CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000033060 [0,0,0,1,0,0|2,0,0]=3 3394 B12R1.464 CCCOC(=O)CNCC1CC1 2230a_100000735609_200011215008 [0,0,0,1,0,0|1,0,2]=4 3395 B12R1.464 CCCOC(=O)CNCC1CC1 34a_100000735609_200011215008 [0,0,0,1,0,0|1,0,2]=4 3396 B12R1.464 CCCOC(=O)COCC1CC1 34a_100000211283_200011215008 [0,0,0,1,0,0|1,0,2]=4 3397 B12R1.464 CCCOC(=O)CSCC1CC1 62a_100000756562_200011215008 [0,0,0,1,0,0|1,0,2]=4 3398 B12R1.464 CCCOC(=O)CSCC1CC1 62a_200011215008_100000742324 [0,0,0,1,0,0|1,0,2]=4 3399 B12R1.549 C=CCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183597 [0,0,0,1,0,0|3,0,0]=4 3400 B12R1.549 C=CCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183597 [0,0,0,1,0,0|3,0,0]=4 3401 B12R1.549 C=CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000033060 [0,0,0,1,0,0|2,0,0]=3 3402 B12R1.549 C=CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000033060 [0,0,0,1,0,0|2,0,0]=3 3403 B12R1.549 C=CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000033060 [0,0,0,1,0,0|2,0,0]=3 3404 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,0,0,1,0,0|1,0,2]=4 3405 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,0,0,1,0,0|1,0,2]=4 3406 B12R1.561 CCCCCCC(=O)C1CCO1 1458a_100000089072_100000210757 [0,0,0,1,0,0|2,0,1]=4 3407 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100000758290_100000210757 [0,0,0,1,0,0|2,0,1]=4 3408 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100102632555_100000687716 [0,0,0,1,0,0|2,0,1]=4 3409 B12R1.561 CCCCCCC(=O)N1CCC1 11a_100000754969_100102632555 [0,0,0,1,0,0|1,0,2]=4 3410 B12R1.561 CCCCCCC(=O)N1CCC1 240690a_100000754969_100102632555 [0,0,0,1,0,0|1,0,2]=4 3411 B12R1.561 CCCCCCC(=O)N1CCC1 527a_100000754969_100102632555 [0,0,0,1,0,0|1,0,2]=4 3412 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,0,0,1,0,0|1,0,2]=4 3413 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,0,0,1,0,0|1,0,2]=4 3414 B12R1.563 CCCCCCC(=O)CC1CO1 1458a_100102632555_100011216344 [0,0,0,1,0,0|2,0,1]=4 3415 B12R1.563 CCCCCCC(=O)CC1CS1 1458a_100102632555_100000031435 [0,0,0,1,0,0|2,0,1]=4 3416 B12R1.563 CCCCCCC(=O)C[C@@H]1CO1 1458a_100102632555_100000745022 [0,0,0,1,0,0|2,0,1]=4 3417 B12R1.563 CCCCCCC(=O)NC1CC1 1626a_100000212008_100102632555 [0,0,0,1,0,0|1,0,2]=4 3418 B12R1.563 CCCCCCC(=O)NC1CC1 240690a_100000212008_100102632555 [0,0,0,1,0,0|1,0,2]=4 3419 B12R1.563 CCCCCCC(=O)NC1CC1 527a_100000212008_100102632555 [0,0,0,1,0,0|1,0,2]=4 3420 B12R1.567 CCCCNC1C(=O)CCC1=O 2230a_100000102301_100009820769 [0,0,0,1,0,0|3,0,0]=4 3421 B12R1.567 CCCCNC1C(=O)CCC1=O 7a_106832991798_100009820769 [0,0,0,1,0,0|3,0,0]=4 3422 B12R1.567 CCCCOC1C(=O)CCC1=O 7a_100000210227_100009820769 [0,0,0,1,0,0|3,0,0]=4 3423 B12R1.567 CCCCOC1C(=O)COC1=O 34a_100000210227_100000032967 [0,0,0,1,0,0|2,0,0]=3 3424 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100000210211_100009820769 [0,0,0,1,0,0|3,0,0]=4 3425 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100009820769_100000210210 [0,0,0,1,0,0|3,0,0]=4 3426 B12R1.567 CCCCSC1C(=O)COC1=O 62a_100000210211_100000032967 [0,0,0,1,0,0|2,0,0]=3 3427 B12R1.567 CCOCSC1C(=O)COC1=O 62a_100000739092_100000032967 [0,0,0,1,0,0|3,0,0]=4 3428 B12R1.567 COCCOC1C(=O)COC1=O 34a_100000210237_100000032967 [0,0,0,1,0,0|3,0,0]=4 3429 B12R1.567 COCCSC1C(=O)COC1=O 62a_100000233755_100000032967 [0,0,0,1,0,0|3,0,0]=4 3430 B12R1.567 CSCCOC1C(=O)COC1=O 34a_100000230434_100000032967 [0,0,0,1,0,0|3,0,0]=4 3431 B12R1.567 CSCCSC1C(=O)COC1=O 62a_100000212216_100000032967 [0,0,0,1,0,0|3,0,0]=4 3432 B12R1.567 NCCCOC1C(=O)COC1=O 34a_100000182051_100000032967 [0,0,0,1,0,0|3,0,0]=4 3433 B12R1.567 O=C1COC(=O)C1NCCCF 34a_100015189416_100000032967 [0,0,0,1,0,0|3,0,0]=4 3434 B12R1.567 O=C1COC(=O)C1OCCCBr 34a_100011217188_100000032967 [0,0,0,1,0,0|3,0,0]=4 3435 B12R1.567 O=C1COC(=O)C1OCCCCl 34a_100000230001_100000032967 [0,0,0,1,0,0|3,0,0]=4 3436 B12R1.567 O=C1COC(=O)C1OCCCF 34a_100000759539_100000032967 [0,0,0,1,0,0|3,0,0]=4 3437 B12R1.567 O=C1COC(=O)C1SCCCF 62a_100011934791_100000032967 [0,0,0,1,0,0|3,0,0]=4 3438 B12R1.567 O=C1COC(=O)C1SCCCO 62a_100011215043_100000032967 [0,0,0,1,0,0|3,0,0]=4 3439 B12R1.925 C=CCNC(=O)CN1CCC1C 269982a_100000755817_100000183597 [0,0,0,1,0,0|2,0,0]=3 3440 B12R1.925 C=CCOC(=O)CN1CCC1C 269982a_100000755817_100000033060 [0,0,0,1,0,0|1,0,0]=2 3441 B12R1.925 C=CCOC(=O)CN1CCC1C 34a_100000755817_100000033060 [0,0,0,1,0,0|1,0,0]=2 3442 B12R1.925 CCCOC(=O)CN1CCC1C 269982a_100000755817_200011215008 [0,0,0,1,0,0|1,0,2]=4 3443 B12R1.925 CCCOC(=O)CN1CCC1C 34a_100000755817_200011215008 [0,0,0,1,0,0|1,0,2]=4 3444 B12R1.1785 C=CCNC1(CCCCCC1)C 2230a_100000704638_100000210623 [0,0,0,1,0,0|2,0,1]=4 3445 B12R1.1785 C=CCNC1(CCCCCC1)C 34a_100000704638_100015514636 [0,0,0,1,0,0|2,0,1]=4 3446 B12R1.1785 C=CCOC1(CCCCCC1)C 34a_100000708895_100015514636 [0,0,0,1,0,0|1,0,1]=3 3447 B12R1.1785 C=CCOC1(CCCCCC1)C 7a_100000708895_100015514636 [0,0,0,1,0,0|1,0,1]=3 3448 B12R1.1785 C=CCOC1(CCCNCC1)C 34a_100000723723_100015514636 [0,0,0,1,0,0|2,0,1]=4 3449 B12R1.1785 CC1(CCCCCC1)OCC=O 34a_100000708895_200009817547 [0,0,0,1,0,0|2,0,1]=4 3450 B12R1.1785 CC1(CCCCCC1)OCC=O 7a_100000708895_200015260668 [0,0,0,1,0,0|2,0,1]=4 3451 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,0,0,1,0,0|1,0,2]=4 3452 B12R1.2563 CCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210757 [0,0,0,1,0,0|2,0,1]=4 3453 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [2,0,0,0,0,0|0,0,2]=4 3454 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [2,0,0,0,0,0|0,0,2]=4 3455 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000210193_100000731252 [2,0,0,0,0,0|0,0,2]=4 3456 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000690238_100000210623 [2,0,0,0,0,0|0,0,2]=4 3457 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [2,0,0,0,0,0|0,0,2]=4 3458 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [2,0,0,0,0,0|0,0,2]=4 3459 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [2,0,0,0,0,0|0,0,2]=4 3460 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [2,0,0,0,0,0|0,0,2]=4 3461 B9R0.5 C=CCC(=O)CC#CCC 1458a_100000210193_100009813939 [2,0,0,0,0,0|0,0,2]=4 3462 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000075515_100000210623 [2,0,0,0,0,0|1,0,1]=4 3463 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000210193_100000211468 [2,0,0,0,0,0|1,0,1]=4 3464 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [2,0,0,0,0,0|0,0,0]=2 3465 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [2,0,0,0,0,0|0,0,0]=2 3466 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [2,0,0,0,0,0|1,0,0]=3 3467 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [2,0,0,0,0,0|1,0,0]=3 3468 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [2,0,0,0,0,0|1,0,0]=3 3469 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [2,0,0,0,0,0|1,0,0]=3 3470 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [2,0,0,0,0,0|1,0,0]=3 3471 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [2,0,0,0,0,0|1,0,0]=3 3472 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [2,0,0,0,0,0|1,0,0]=3 3473 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [2,0,0,0,0,0|1,0,0]=3 3474 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [2,0,0,0,0,0|1,0,0]=3 3475 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [2,0,0,0,0,0|1,0,0]=3 3476 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [2,0,0,0,0,0|1,0,0]=3 3477 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [2,0,0,0,0,0|2,0,0]=4 3478 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [2,0,0,0,0,0|1,0,0]=3 3479 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [2,0,0,0,0,0|1,0,0]=3 3480 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [2,0,0,0,0,0|1,0,0]=3 3481 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [2,0,0,0,0,0|1,0,0]=3 3482 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [2,0,0,0,0,0|1,0,0]=3 3483 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [2,0,0,0,0,0|2,0,0]=4 3484 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [2,0,0,0,0,0|2,0,0]=4 3485 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [2,0,0,0,0,0|2,0,0]=4 3486 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [2,0,0,0,0,0|2,0,0]=4 3487 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [2,0,0,0,0,0|2,0,0]=4 3488 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [2,0,0,0,0,0|2,0,0]=4 3489 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [2,0,0,0,0,0|2,0,0]=4 3490 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [2,0,0,0,0,0|2,0,0]=4 3491 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [2,0,0,0,0,0|2,0,0]=4 3492 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [2,0,0,0,0,0|2,0,0]=4 3493 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [2,0,0,0,0,0|2,0,0]=4 3494 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [2,0,0,0,0,0|2,0,0]=4 3495 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [2,0,0,0,0,0|2,0,0]=4 3496 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [2,0,0,0,0,0|2,0,0]=4 3497 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [2,0,0,0,0,0|0,0,2]=4 3498 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [2,0,0,0,0,0|0,0,2]=4 3499 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [2,0,0,0,0,0|2,0,0]=4 3500 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [2,0,0,0,0,0|2,0,0]=4 3501 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [2,0,0,0,0,0|2,0,0]=4 3502 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [2,0,0,0,0,0|2,0,0]=4 3503 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [2,0,0,0,0,0|2,0,0]=4 3504 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [2,0,0,0,0,0|2,0,0]=4 3505 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [2,0,0,0,0,0|2,0,0]=4 3506 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [2,0,0,0,0,0|2,0,0]=4 3507 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [2,0,0,0,0,0|1,0,0]=3 3508 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [2,0,0,0,0,0|2,0,0]=4 3509 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [2,0,0,0,0,0|1,0,0]=3 3510 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [2,0,0,0,0,0|1,0,0]=3 3511 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [2,0,0,0,0,0|2,0,0]=4 3512 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [2,0,0,0,0,0|2,0,0]=4 3513 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [2,0,0,0,0,0|2,0,0]=4 3514 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [2,0,0,0,0,0|2,0,0]=4 3515 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [2,0,0,0,0,0|2,0,0]=4 3516 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [2,0,0,0,0,0|2,0,0]=4 3517 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [2,0,0,0,0,0|2,0,0]=4 3518 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [2,0,0,0,0,0|2,0,0]=4 3519 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [2,0,0,0,0,0|0,0,2]=4 3520 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [2,0,0,0,0,0|1,0,1]=4 3521 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [2,0,0,0,0,0|1,0,1]=4 3522 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [2,0,0,0,0,0|1,0,1]=4 3523 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [2,0,0,0,0,0|1,0,1]=4 3524 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [2,0,0,0,0,0|1,0,1]=4 3525 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|0,0,2]=4 3526 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|0,0,2]=4 3527 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|1,0,1]=4 3528 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|1,0,1]=4 3529 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|1,0,1]=4 3530 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|1,0,1]=4 3531 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|1,0,1]=4 3532 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|1,0,1]=4 3533 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|1,0,1]=4 3534 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|1,0,1]=4 3535 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|1,0,1]=4 3536 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|1,0,1]=4 3537 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|1,0,1]=4 3538 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|1,0,1]=4 3539 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|1,0,1]=4 3540 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 3541 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 3542 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 3543 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [2,0,0,0,0,0|1,0,1]=4 3544 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [2,0,0,0,0,0|1,0,1]=4 3545 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [2,0,0,0,0,0|1,0,1]=4 3546 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [2,0,0,0,0,0|1,0,1]=4 3547 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [2,0,0,0,0,0|1,0,1]=4 3548 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [2,0,0,0,0,0|1,0,1]=4 3549 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [2,0,0,0,0,0|1,0,1]=4 3550 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [2,0,0,0,0,0|1,0,1]=4 3551 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [2,0,0,0,0,0|1,0,1]=4 3552 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [2,0,0,0,0,0|1,0,1]=4 3553 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [2,0,0,0,0,0|1,0,1]=4 3554 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [2,0,0,0,0,0|1,0,1]=4 3555 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [2,0,0,0,0,0|1,0,1]=4 3556 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [2,0,0,0,0,0|1,0,1]=4 3557 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [2,0,0,0,0,0|1,0,1]=4 3558 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [2,0,0,0,0,0|1,0,1]=4 3559 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [2,0,0,0,0,0|1,0,1]=4 3560 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [2,0,0,0,0,0|0,0,2]=4 3561 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [2,0,0,0,0,0|0,0,2]=4 3562 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [2,0,0,0,0,0|0,0,2]=4 3563 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [2,0,0,0,0,0|0,0,2]=4 3564 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [2,0,0,0,0,0|0,0,2]=4 3565 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [2,0,0,0,0,0|0,0,2]=4 3566 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 3567 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 3568 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 3569 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,1]=4 3570 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 3571 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 3572 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 3573 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 3574 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 3575 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 3576 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 3577 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 3578 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 3579 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 3580 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 3581 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 3582 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 3583 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 3584 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 3585 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 3586 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [2,0,0,0,0,0|0,0,2]=4 3587 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [2,0,0,0,0,0|0,0,2]=4 3588 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [2,0,0,0,0,0|0,0,2]=4 3589 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 3590 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 3591 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 3592 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 3593 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 3594 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 3595 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 3596 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 3597 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 3598 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 3599 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 3600 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 3601 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 3602 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 3603 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 3604 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 3605 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 3606 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 3607 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 3608 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 3609 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 3610 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 3611 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,0]=3 3612 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,0]=3 3613 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [2,0,0,0,0,0|2,0,0]=4 3614 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [2,0,0,0,0,0|2,0,0]=4 3615 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [2,0,0,0,0,0|2,0,0]=4 3616 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [2,0,0,0,0,0|2,0,0]=4 3617 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [2,0,0,0,0,0|2,0,0]=4 3618 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [2,0,0,0,0,0|2,0,0]=4 3619 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [2,0,0,0,0,0|2,0,0]=4 3620 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [2,0,0,0,0,0|2,0,0]=4 3621 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [2,0,0,0,0,0|2,0,0]=4 3622 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [2,0,0,0,0,0|2,0,0]=4 3623 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [2,0,0,0,0,0|2,0,0]=4 3624 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [2,0,0,0,0,0|2,0,0]=4 3625 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [2,0,0,0,0,0|2,0,0]=4 3626 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [2,0,0,0,0,0|0,0,2]=4 3627 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [2,0,0,0,0,0|0,0,2]=4 3628 B9R0.45 C=CCOCC#CCCC 34a_100000034806_100015514636 [2,0,0,0,0,0|0,0,2]=4 3629 B9R0.45 C=CCOCC#CCCC 7a_100000034806_100015514636 [2,0,0,0,0,0|0,0,2]=4 3630 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [2,0,0,0,0,0|0,0,2]=4 3631 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [2,0,0,0,0,0|0,0,2]=4 3632 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [2,0,0,0,0,0|0,0,2]=4 3633 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [2,0,0,0,0,0|0,0,2]=4 3634 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [2,0,0,0,0,0|0,0,2]=4 3635 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [2,0,0,0,0,0|0,0,2]=4 3636 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [2,0,0,0,0,0|1,0,0]=3 3637 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [2,0,0,0,0,0|1,0,0]=3 3638 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|0,0,0]=2 3639 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|0,0,0]=2 3640 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|0,0,0]=2 3641 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [2,0,0,0,0,0|1,0,0]=3 3642 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [2,0,0,0,0,0|1,0,0]=3 3643 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [2,0,0,0,0,0|1,0,0]=3 3644 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [2,0,0,0,0,0|1,0,0]=3 3645 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [2,0,0,0,0,0|1,0,0]=3 3646 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [2,0,0,0,0,0|1,0,0]=3 3647 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [2,0,0,0,0,0|1,0,0]=3 3648 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [2,0,0,0,0,0|1,0,0]=3 3649 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [2,0,0,0,0,0|1,0,0]=3 3650 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [2,0,0,0,0,0|1,0,0]=3 3651 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [2,0,0,0,0,0|1,0,0]=3 3652 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [2,0,0,0,0,0|1,0,0]=3 3653 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [2,0,0,0,0,0|1,0,0]=3 3654 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [2,0,0,0,0,0|1,0,0]=3 3655 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [2,0,0,0,0,0|1,0,0]=3 3656 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [2,0,0,0,0,0|1,0,0]=3 3657 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [2,0,0,0,0,0|2,0,0]=4 3658 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [2,0,0,0,0,0|2,0,0]=4 3659 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [2,0,0,0,0,0|1,0,0]=3 3660 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [2,0,0,0,0,0|1,0,0]=3 3661 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [2,0,0,0,0,0|1,0,0]=3 3662 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [2,0,0,0,0,0|1,0,0]=3 3663 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [2,0,0,0,0,0|1,0,0]=3 3664 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [2,0,0,0,0,0|2,0,0]=4 3665 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [2,0,0,0,0,0|2,0,0]=4 3666 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [2,0,0,0,0,0|2,0,0]=4 3667 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [2,0,0,0,0,0|2,0,0]=4 3668 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [2,0,0,0,0,0|2,0,0]=4 3669 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [2,0,0,0,0,0|2,0,0]=4 3670 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [2,0,0,0,0,0|2,0,0]=4 3671 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [2,0,0,0,0,0|2,0,0]=4 3672 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [2,0,0,0,0,0|2,0,0]=4 3673 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [2,0,0,0,0,0|2,0,0]=4 3674 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [2,0,0,0,0,0|2,0,0]=4 3675 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [2,0,0,0,0,0|2,0,0]=4 3676 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [2,0,0,0,0,0|2,0,0]=4 3677 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [2,0,0,0,0,0|1,0,0]=3 3678 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [2,0,0,0,0,0|1,0,0]=3 3679 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [2,0,0,0,0,0|1,0,0]=3 3680 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|0,1,0]=3 3681 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|0,1,0]=3 3682 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [2,0,0,0,0,0|1,1,0]=4 3683 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [2,0,0,0,0,0|1,1,0]=4 3684 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [2,0,0,0,0,0|1,1,0]=4 3685 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [2,0,0,0,0,0|1,1,0]=4 3686 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [2,0,0,0,0,0|1,1,0]=4 3687 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [2,0,0,0,0,0|1,1,0]=4 3688 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [2,0,0,0,0,0|1,1,0]=4 3689 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [2,0,0,0,0,0|1,1,0]=4 3690 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [2,0,0,0,0,0|1,1,0]=4 3691 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [2,0,0,0,0,0|1,1,0]=4 3692 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [2,0,0,0,0,0|1,1,0]=4 3693 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [2,0,0,0,0,0|1,1,0]=4 3694 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [2,0,0,0,0,0|1,0,1]=4 3695 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [2,0,0,0,0,0|1,0,1]=4 3696 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [2,0,0,0,0,0|1,0,1]=4 3697 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [2,0,0,0,0,0|1,0,1]=4 3698 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [2,0,0,0,0,0|1,0,1]=4 3699 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [2,0,0,0,0,0|1,0,1]=4 3700 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [2,0,0,0,0,0|1,0,1]=4 3701 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [2,0,0,0,0,0|1,0,1]=4 3702 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [2,0,0,0,0,0|1,0,1]=4 3703 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [2,0,0,0,0,0|1,0,1]=4 3704 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [2,0,0,0,0,0|1,0,1]=4 3705 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|0,0,2]=4 3706 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|0,0,2]=4 3707 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|0,0,2]=4 3708 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|1,0,1]=4 3709 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|1,0,1]=4 3710 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|2,0,0]=4 3711 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [2,0,0,0,0,0|1,0,1]=4 3712 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,0]=3 3713 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,0]=3 3714 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|1,0,1]=4 3715 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|0,0,2]=4 3716 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|0,0,2]=4 3717 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|0,0,2]=4 3718 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|1,0,1]=4 3719 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|1,0,1]=4 3720 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|1,0,1]=4 3721 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 3722 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 3723 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|1,0,1]=4 3724 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,1,0]=4 3725 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,1,0]=4 3726 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|2,0,0]=4 3727 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|2,0,0]=4 3728 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [2,0,0,0,0,0|2,0,0]=4 3729 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [2,0,0,0,0,0|2,0,0]=4 3730 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [2,0,0,0,0,0|2,0,0]=4 3731 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [2,0,0,0,0,0|2,0,0]=4 3732 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [2,0,0,0,0,0|2,0,0]=4 3733 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [2,0,0,0,0,0|2,0,0]=4 3734 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|2,0,0]=4 3735 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [2,0,0,0,0,0|2,0,0]=4 3736 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [2,0,0,0,0,0|2,0,0]=4 3737 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 3738 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 3739 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 3740 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 3741 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 3742 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 3743 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 3744 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [2,0,0,0,0,0|0,0,2]=4 3745 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [2,0,0,0,0,0|0,0,2]=4 3746 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [2,0,0,0,0,0|0,0,2]=4 3747 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [2,0,0,0,0,0|1,0,1]=4 3748 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [2,0,0,0,0,0|0,0,0]=2 3749 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [2,0,0,0,0,0|1,0,0]=3 3750 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [2,0,0,0,0,0|1,0,0]=3 3751 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [2,0,0,0,0,0|1,0,0]=3 3752 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [2,0,0,0,0,0|1,0,0]=3 3753 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [2,0,0,0,0,0|1,0,0]=3 3754 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [2,0,0,0,0,0|2,0,0]=4 3755 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [2,0,0,0,0,0|1,0,0]=3 3756 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [2,0,0,0,0,0|1,0,0]=3 3757 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [2,0,0,0,0,0|1,0,0]=3 3758 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [2,0,0,0,0,0|2,0,0]=4 3759 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [2,0,0,0,0,0|2,0,0]=4 3760 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [2,0,0,0,0,0|2,0,0]=4 3761 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [2,0,0,0,0,0|2,0,0]=4 3762 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [2,0,0,0,0,0|2,0,0]=4 3763 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [2,0,0,0,0,0|2,0,0]=4 3764 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [2,0,0,0,0,0|2,0,0]=4 3765 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [2,0,0,0,0,0|2,0,0]=4 3766 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [2,0,0,0,0,0|2,0,0]=4 3767 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [2,0,0,0,0,0|2,0,0]=4 3768 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [2,0,0,0,0,0|2,0,0]=4 3769 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [2,0,0,0,0,0|2,0,0]=4 3770 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [2,0,0,0,0,0|2,0,0]=4 3771 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [2,0,0,0,0,0|2,0,0]=4 3772 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [2,0,0,0,0,0|2,0,0]=4 3773 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [2,0,0,0,0,0|2,0,0]=4 3774 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [2,0,0,0,0,0|0,0,2]=4 3775 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [2,0,0,0,0,0|1,0,1]=4 3776 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [2,0,0,0,0,0|1,0,1]=4 3777 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 3778 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [2,0,0,0,0,0|1,0,1]=4 3779 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|0,0,1]=3 3780 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|0,0,1]=3 3781 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [2,0,0,0,0,0|1,0,0]=3 3782 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [2,0,0,0,0,0|1,0,0]=3 3783 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [2,0,0,0,0,0|1,0,0]=3 3784 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 3785 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 3786 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 3787 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 3788 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [2,0,0,0,0,0|1,0,1]=4 3789 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 3790 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 3791 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 3792 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 3793 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 3794 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 3795 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [2,0,0,0,0,0|1,0,1]=4 3796 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [2,0,0,0,0,0|2,0,0]=4 3797 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [2,0,0,0,0,0|2,0,0]=4 3798 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [2,0,0,0,0,0|2,0,0]=4 3799 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 3800 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 3801 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 3802 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 3803 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [2,0,0,0,0,0|2,0,0]=4 3804 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [2,0,0,0,0,0|1,0,1]=4 3805 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [2,0,0,0,0,0|2,0,0]=4 3806 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [2,0,0,0,0,0|2,0,0]=4 3807 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [2,0,0,0,0,0|2,0,0]=4 3808 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [2,0,0,0,0,0|1,0,0]=3 3809 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [2,0,0,0,0,0|1,0,0]=3 3810 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [2,0,0,0,0,0|1,0,1]=4 3811 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [2,0,0,0,0,0|1,0,1]=4 3812 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [2,0,0,0,0,0|1,0,1]=4 3813 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [2,0,0,0,0,0|1,0,1]=4 3814 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [2,0,0,0,0,0|2,0,0]=4 3815 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [2,0,0,0,0,0|2,0,0]=4 3816 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [2,0,0,0,0,0|2,0,0]=4 3817 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 3818 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 3819 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 3820 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [2,0,0,0,0,0|2,0,0]=4 3821 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 3822 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 3823 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 3824 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 3825 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [2,0,0,0,0,0|1,0,1]=4 3826 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [2,0,0,0,0,0|1,0,1]=4 3827 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [2,0,0,0,0,0|1,0,1]=4 3828 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [2,0,0,0,0,0|2,0,0]=4 3829 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [2,0,0,0,0,0|2,0,0]=4 3830 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 3831 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 3832 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 3833 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [2,0,0,0,0,0|2,0,0]=4 3834 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [2,0,0,0,0,0|2,0,0]=4 3835 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [2,0,0,0,0,0|1,0,0]=3 3836 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [2,0,0,0,0,0|1,0,0]=3 3837 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 3838 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 3839 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [2,0,0,0,0,0|1,0,1]=4 3840 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [2,0,0,0,0,0|2,0,0]=4 3841 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [2,0,0,0,0,0|2,0,0]=4 3842 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [2,0,0,0,0,0|2,0,0]=4 3843 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [2,0,0,0,0,0|1,0,0]=3 3844 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [2,0,0,0,0,0|2,0,0]=4 3845 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [2,0,0,0,0,0|2,0,0]=4 3846 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [2,0,0,0,0,0|1,0,0]=3 3847 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [2,0,0,0,0,0|1,0,0]=3 3848 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [2,0,0,0,0,0|2,0,0]=4 3849 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 3850 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [2,0,0,0,0,0|2,0,0]=4 3851 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 3852 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [2,0,0,0,0,0|1,0,0]=3 3853 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,0,0,0,0|1,0,1]=4 3854 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [2,0,0,0,0,0|2,0,0]=4 3855 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [2,0,0,0,0,0|2,0,0]=4 3856 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [2,0,0,0,0,0|1,0,0]=3 3857 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [2,0,0,0,0,0|2,0,0]=4 3858 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [2,0,0,0,0,0|2,0,0]=4 3859 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [2,0,0,0,0,0|2,0,0]=4 3860 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [2,0,0,0,0,0|2,0,0]=4 3861 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [2,0,0,0,0,0|2,0,0]=4 3862 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [2,0,0,0,0,0|2,0,0]=4 3863 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [2,0,0,0,0,0|1,0,0]=3 3864 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [2,0,0,0,0,0|1,0,0]=3 3865 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [2,0,0,0,0,0|2,0,0]=4 3866 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 3867 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [2,0,0,0,0,0|1,0,0]=3 3868 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 3869 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 3870 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [2,0,0,0,0,0|2,0,0]=4 3871 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 3872 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 3873 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 3874 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [2,0,0,0,0,0|1,0,0]=3 3875 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [2,0,0,0,0,0|1,0,0]=3 3876 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [2,0,0,0,0,0|1,0,0]=3 3877 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [2,0,0,0,0,0|1,0,0]=3 3878 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [2,0,0,0,0,0|2,0,0]=4 3879 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [2,0,0,0,0,0|2,0,0]=4 3880 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [2,0,0,0,0,0|2,0,0]=4 3881 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [2,0,0,0,0,0|2,0,0]=4 3882 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [2,0,0,0,0,0|2,0,0]=4 3883 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [2,0,0,0,0,0|2,0,0]=4 3884 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [2,0,0,0,0,0|2,0,0]=4 3885 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [2,0,0,0,0,0|2,0,0]=4 3886 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [2,0,0,0,0,0|2,0,0]=4 3887 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [2,0,0,0,0,0|2,0,0]=4 3888 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [2,0,0,0,0,0|2,0,0]=4 3889 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [2,0,0,0,0,0|2,0,0]=4 3890 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [2,0,0,0,0,0|2,0,0]=4 3891 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 3892 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 3893 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [2,0,0,0,0,0|2,0,0]=4 3894 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [2,0,0,0,0,0|2,0,0]=4 3895 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [2,0,0,0,0,0|2,0,0]=4 3896 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [2,0,0,0,0,0|2,0,0]=4 3897 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [2,0,0,0,0,0|2,0,0]=4 3898 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 3899 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [2,0,0,0,0,0|2,0,0]=4 3900 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [2,0,0,0,0,0|2,0,0]=4 3901 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 3902 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [2,0,0,0,0,0|2,0,0]=4 3903 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [2,0,0,0,0,0|2,0,0]=4 3904 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [2,0,0,0,0,0|2,0,0]=4 3905 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [2,0,0,0,0,0|2,0,0]=4 3906 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [2,0,0,0,0,0|2,0,0]=4 3907 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [2,0,0,0,0,0|2,0,0]=4 3908 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [2,0,0,0,0,0|2,0,0]=4 3909 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [2,0,0,0,0,0|2,0,0]=4 3910 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [2,0,0,0,0,0|2,0,0]=4 3911 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 3912 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [2,0,0,0,0,0|1,0,0]=3 3913 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 3914 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [2,0,0,0,0,0|2,0,0]=4 3915 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [2,0,0,0,0,0|2,0,0]=4 3916 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [2,0,0,0,0,0|2,0,0]=4 3917 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [2,0,0,0,0,0|2,0,0]=4 3918 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [2,0,0,0,0,0|2,0,0]=4 3919 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [2,0,0,0,0,0|2,0,0]=4 3920 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [2,0,0,0,0,0|2,0,0]=4 3921 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [2,0,0,0,0,0|2,0,0]=4 3922 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [2,0,0,0,0,0|2,0,0]=4 3923 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [2,0,0,0,0,0|2,0,0]=4 3924 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [2,0,0,0,0,0|1,0,1]=4 3925 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [2,0,0,0,0,0|1,0,0]=3 3926 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [2,0,0,0,0,0|1,0,0]=3 3927 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [2,0,0,0,0,0|2,0,0]=4 3928 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [2,0,0,0,0,0|2,0,0]=4 3929 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [2,0,0,0,0,0|2,0,0]=4 3930 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [2,0,0,0,0,0|2,0,0]=4 3931 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [2,0,0,0,0,0|2,0,0]=4 3932 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [2,0,0,0,0,0|2,0,0]=4 3933 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [2,0,0,0,0,0|2,0,0]=4 3934 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [2,0,0,0,0,0|2,0,0]=4 3935 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [2,0,0,0,0,0|2,0,0]=4 3936 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [2,0,0,0,0,0|2,0,0]=4 3937 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [2,0,0,0,0,0|2,0,0]=4 3938 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [2,0,0,0,0,0|2,0,0]=4 3939 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [2,0,0,0,0,0|1,0,0]=3 3940 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [2,0,0,0,0,0|1,0,0]=3 3941 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [2,0,0,0,0,0|1,0,0]=3 3942 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [2,0,0,0,0,0|2,0,0]=4 3943 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [2,0,0,0,0,0|2,0,0]=4 3944 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [2,0,0,0,0,0|2,0,0]=4 3945 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [2,0,0,0,0,0|2,0,0]=4 3946 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [2,0,0,0,0,0|2,0,0]=4 3947 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [2,0,0,0,0,0|2,0,0]=4 3948 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [2,0,0,0,0,0|2,0,0]=4 3949 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [2,0,0,0,0,0|2,0,0]=4 3950 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [2,0,0,0,0,0|2,0,0]=4 3951 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [2,0,0,0,0,0|2,0,0]=4 3952 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [2,0,0,0,0,0|2,0,0]=4 3953 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [2,0,0,0,0,0|2,0,0]=4 3954 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [2,0,0,0,0,0|2,0,0]=4 3955 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [2,0,0,0,0,0|2,0,0]=4 3956 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [2,0,0,0,0,0|2,0,0]=4 3957 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [2,0,0,0,0,0|2,0,0]=4 3958 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [2,0,0,0,0,0|2,0,0]=4 3959 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [2,0,0,0,0,0|2,0,0]=4 3960 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [2,0,0,0,0,0|2,0,0]=4 3961 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [2,0,0,0,0,0|2,0,0]=4 3962 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [2,0,0,0,0,0|2,0,0]=4 3963 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [2,0,0,0,0,0|2,0,0]=4 3964 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [2,0,0,0,0,0|2,0,0]=4 3965 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [2,0,0,0,0,0|2,0,0]=4 3966 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [2,0,0,0,0,0|2,0,0]=4 3967 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [2,0,0,0,0,0|2,0,0]=4 3968 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [2,0,0,0,0,0|1,0,0]=3 3969 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [2,0,0,0,0,0|1,0,0]=3 3970 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [2,0,0,0,0,0|1,0,0]=3 3971 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [2,0,0,0,0,0|1,0,0]=3 3972 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [2,0,0,0,0,0|2,0,0]=4 3973 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [2,0,0,0,0,0|2,0,0]=4 3974 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [2,0,0,0,0,0|1,0,1]=4 3975 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [2,0,0,0,0,0|1,0,1]=4 3976 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [2,0,0,0,0,0|1,0,1]=4 3977 B11R0.2 C#CCCCCC(=O)CC(=C)C 1458a_100000696528_100000748629 [1,1,0,0,0,0|0,0,2]=4 3978 B11R0.2 C#CCCCCC(=O)CC(=C)F 1458a_100000696528_100009893438 [1,1,0,0,0,0|0,0,2]=4 3979 B11R0.2 C=C(C)CC(=O)C/C=C/CCC 1458a_200016266809_100000748629 [1,1,0,0,0,0|0,0,2]=4 3980 B11R0.2 C=C(C)CC(=O)C=CCCCC 1458a_100016266645_100000748629 [1,1,0,0,0,0|0,0,2]=4 3981 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [1,1,0,0,0,0|0,0,0]=2 3982 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [1,1,0,0,0,0|1,0,0]=3 3983 B11R0.2 C=C(C)CC(=O)CCOCCO 1458a_100011229844_100000748629 [1,1,0,0,0,0|2,0,0]=4 3984 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [1,1,0,0,0,0|1,0,0]=3 3985 B11R0.2 C=C(C)CC(=O)COCCOC 1458a_100000211095_100000748629 [1,1,0,0,0,0|2,0,0]=4 3986 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [1,1,0,0,0,0|1,0,0]=3 3987 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [1,1,0,0,0,0|2,0,0]=4 3988 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 3989 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [1,1,0,0,0,0|2,0,0]=4 3990 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 3991 B11R0.2 C=C(F)CC(=O)C/C=C/CCC 1458a_200016266809_100009893438 [1,1,0,0,0,0|0,0,2]=4 3992 B11R0.2 C=C(F)CC(=O)C=CCCCC 1458a_100016266645_100009893438 [1,1,0,0,0,0|0,0,2]=4 3993 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [1,1,0,0,0,0|0,0,0]=2 3994 B11R0.2 C=C(F)CC(=O)CCCCCO 1458a_100102619762_100009893438 [1,1,0,0,0,0|1,0,0]=3 3995 B11R0.2 C=C(F)CC(=O)CCOCCO 1458a_100011229844_100009893438 [1,1,0,0,0,0|2,0,0]=4 3996 B11R0.2 C=C(F)CC(=O)COCCCC 1458a_100000757543_100009893438 [1,1,0,0,0,0|1,0,0]=3 3997 B11R0.2 C=C(F)CC(=O)COCCOC 1458a_100000211095_100009893438 [1,1,0,0,0,0|2,0,0]=4 3998 B11R0.2 C=C(F)CC(=O)CSCCCC 1458a_100000191162_100009893438 [1,1,0,0,0,0|1,0,0]=3 3999 B11R0.2 C=C(F)CN(C)CCCCCC 2230a_106256046315_100009893438 [1,1,0,0,0,0|2,0,0]=4 4000 B11R0.2 C=C(F)CN(C)CCCCCC 269982a_106256046315_100009893438 [1,1,0,0,0,0|2,0,0]=4 4001 B11R0.2 C=CCCCCC(=O)CC(=C)C 1458a_100011215552_100000748629 [1,1,0,0,0,0|0,0,2]=4 4002 B11R0.2 C=CCCCCC(=O)CC(=C)F 1458a_100011215552_100009893438 [1,1,0,0,0,0|0,0,2]=4 4003 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [1,1,0,0,0,0|0,0,2]=4 4004 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [1,1,0,0,0,0|0,0,2]=4 4005 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [1,1,0,0,0,0|0,0,2]=4 4006 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [1,1,0,0,0,0|1,0,1]=4 4007 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,0]=3 4008 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,0]=3 4009 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|1,0,0]=3 4010 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [1,1,0,0,0,0|0,0,2]=4 4011 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [1,1,0,0,0,0|0,0,2]=4 4012 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [1,1,0,0,0,0|0,0,2]=4 4013 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [1,1,0,0,0,0|1,0,1]=4 4014 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [1,1,0,0,0,0|1,0,1]=4 4015 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [1,1,0,0,0,0|0,0,2]=4 4016 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [1,1,0,0,0,0|2,0,0]=4 4017 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [1,1,0,0,0,0|1,0,1]=4 4018 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 4019 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 4020 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 4021 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 4022 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|1,0,1]=4 4023 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 4024 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 4025 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [1,1,0,0,0,0|1,0,1]=4 4026 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [1,1,0,0,0,0|1,0,1]=4 4027 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [1,1,0,0,0,0|2,0,0]=4 4028 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [1,1,0,0,0,0|2,0,0]=4 4029 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [1,1,0,0,0,0|2,0,0]=4 4030 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [1,1,0,0,0,0|1,0,1]=4 4031 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [1,1,0,0,0,0|1,0,1]=4 4032 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [1,1,0,0,0,0|2,0,0]=4 4033 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [1,1,0,0,0,0|2,0,0]=4 4034 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [1,1,0,0,0,0|1,0,1]=4 4035 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [1,1,0,0,0,0|1,0,1]=4 4036 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [1,1,0,0,0,0|2,0,0]=4 4037 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [1,1,0,0,0,0|1,0,1]=4 4038 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [1,1,0,0,0,0|1,0,1]=4 4039 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [1,1,0,0,0,0|2,0,0]=4 4040 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [1,1,0,0,0,0|2,0,0]=4 4041 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [1,1,0,0,0,0|2,0,0]=4 4042 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [1,1,0,0,0,0|2,0,0]=4 4043 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [1,1,0,0,0,0|2,0,0]=4 4044 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [1,1,0,0,0,0|2,0,0]=4 4045 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [1,1,0,0,0,0|0,0,2]=4 4046 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [1,1,0,0,0,0|0,0,2]=4 4047 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [1,1,0,0,0,0|0,0,2]=4 4048 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [1,1,0,0,0,0|0,0,2]=4 4049 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [1,1,0,0,0,0|0,0,2]=4 4050 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [1,1,0,0,0,0|0,0,2]=4 4051 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [1,1,0,0,0,0|0,0,2]=4 4052 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [1,1,0,0,0,0|0,0,2]=4 4053 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [1,1,0,0,0,0|0,0,2]=4 4054 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000210193_100012094781 [1,1,0,0,0,0|0,0,1]=3 4055 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000694772_100000210623 [1,1,0,0,0,0|0,0,1]=3 4056 B11R0.4 C#CCCCCNC(=O)CC=C 11a_100000706060_100000210193 [1,1,0,0,0,0|0,0,2]=4 4057 B11R0.4 C#CCCCCNC(=O)CC=C 1626a_100000706060_100000210193 [1,1,0,0,0,0|0,0,2]=4 4058 B11R0.4 C#CCCCCNC(=O)CC=C 240690a_100000706060_100000210193 [1,1,0,0,0,0|0,0,2]=4 4059 B11R0.4 C#CCCCCNC(=O)CC=C 527a_100000706060_100000210193 [1,1,0,0,0,0|0,0,2]=4 4060 B11R0.4 C#CCCCNCC(=O)OC=C 34a_100000718082_100000036128 [1,1,0,0,0,0|0,0,2]=4 4061 B11R0.4 C#CCCCOCC(=O)OC=C 34a_100000215630_100000036128 [1,1,0,0,0,0|0,0,2]=4 4062 B11R0.4 C#CCCCSCC(=O)OC=C 62a_100000036128_100011215417 [1,1,0,0,0,0|0,0,2]=4 4063 B11R0.4 C#CCCCSCC(=O)OC=C 62a_100011215417_100000036128 [1,1,0,0,0,0|0,0,2]=4 4064 B11R0.4 C=CCC(=O)C#CCCCCC 1458a_100011215388_100000210623 [1,1,0,0,0,0|0,0,1]=3 4065 B11R0.4 C=CCC(=O)C/C=C/CCCC 1458a_200016282684_100000210623 [1,1,0,0,0,0|0,0,1]=3 4066 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [1,1,0,0,0,0|0,0,1]=3 4067 B11R0.4 C=CCC(=O)CCCCCC#N 1458a_100000210193_100009813376 [1,1,0,0,0,0|0,0,1]=3 4068 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|0,0,0]=2 4069 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|0,0,0]=2 4070 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [1,1,0,0,0,0|0,0,0]=2 4071 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [1,1,0,0,0,0|0,0,0]=2 4072 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [1,1,0,0,0,0|0,0,0]=2 4073 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [1,1,0,0,0,0|0,0,0]=2 4074 B11R0.4 C=CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210623 [1,1,0,0,0,0|2,0,0]=4 4075 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [1,1,0,0,0,0|0,0,0]=2 4076 B11R0.4 C=CCC(=O)CCOCCOC 1458a_100000210193_100000695917 [1,1,0,0,0,0|1,0,0]=3 4077 B11R0.4 C=CCC(=O)CCOCCOC 1458a_100000745395_100000210623 [1,1,0,0,0,0|1,0,0]=3 4078 B11R0.4 C=CCC(=O)NCCCCC#N 11a_100000751965_100000210193 [1,1,0,0,0,0|1,0,1]=4 4079 B11R0.4 C=CCC(=O)NCCCCC#N 1626a_100000751965_100000210193 [1,1,0,0,0,0|1,0,1]=4 4080 B11R0.4 C=CCC(=O)NCCCCC#N 240690a_100000751965_100000210193 [1,1,0,0,0,0|1,0,1]=4 4081 B11R0.4 C=CCC(=O)NCCCCC#N 527a_100000751965_100000210193 [1,1,0,0,0,0|1,0,1]=4 4082 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [1,1,0,0,0,0|0,0,0]=2 4083 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [1,1,0,0,0,0|0,0,0]=2 4084 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [1,1,0,0,0,0|0,0,0]=2 4085 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [1,1,0,0,0,0|0,0,0]=2 4086 B11R0.4 C=CCC(=O)NCCCCCO 240690a_100000762737_100000210193 [1,1,0,0,0,0|1,0,0]=3 4087 B11R0.4 C=CCC(=O)NCCCOCC 11a_100000210961_100000210193 [1,1,0,0,0,0|1,0,0]=3 4088 B11R0.4 C=CCC(=O)NCCCOCC 1626a_100000210961_100000210193 [1,1,0,0,0,0|1,0,0]=3 4089 B11R0.4 C=CCC(=O)NCCCOCC 240690a_100000210961_100000210193 [1,1,0,0,0,0|1,0,0]=3 4090 B11R0.4 C=CCC(=O)NCCCOCC 527a_100000210961_100000210193 [1,1,0,0,0,0|1,0,0]=3 4091 B11R0.4 C=CCC(=O)NCCOCCC 1626a_100161115042_100000210193 [1,1,0,0,0,0|1,0,0]=3 4092 B11R0.4 C=CCC(=O)NCCOCCC 240690a_100161115042_100000210193 [1,1,0,0,0,0|1,0,0]=3 4093 B11R0.4 C=CCC(=O)NCCOCCC 527a_100161115042_100000210193 [1,1,0,0,0,0|1,0,0]=3 4094 B11R0.4 C=CCC(=O)NCCOCCO 240690a_100000211614_100000210193 [1,1,0,0,0,0|2,0,0]=4 4095 B11R0.4 C=CCC(=O)NCCSCCC 11a_100020603323_100000210193 [1,1,0,0,0,0|1,0,0]=3 4096 B11R0.4 C=CCC(=O)NCCSCCC 240690a_100020603323_100000210193 [1,1,0,0,0,0|1,0,0]=3 4097 B11R0.4 C=CCC(=O)NCCSCCC 527a_100020603323_100000210193 [1,1,0,0,0,0|1,0,0]=3 4098 B11R0.4 C=CCC(=O)NCCSCCO 240690a_100011219999_100000210193 [1,1,0,0,0,0|2,0,0]=4 4099 B11R0.4 C=CCC(=O)NCCSCCO 527a_100011219999_100000210193 [1,1,0,0,0,0|2,0,0]=4 4100 B11R0.4 C=CCC(=O)NNCCCCC 22a_100000694160_100000210193 [1,1,0,0,0,0|1,0,0]=3 4101 B11R0.4 C=CCC(=O)NNCCCOC 22a_100025702787_100000210193 [1,1,0,0,0,0|2,0,0]=4 4102 B11R0.4 C=CCC(=O)NNCCOCC 22a_100000732670_100000210193 [1,1,0,0,0,0|2,0,0]=4 4103 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [1,1,0,0,0,0|1,0,1]=4 4104 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [1,1,0,0,0,0|1,0,1]=4 4105 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100000210193_100000700193 [1,1,0,0,0,0|0,0,1]=3 4106 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100011934241_100000210623 [1,1,0,0,0,0|0,0,1]=3 4107 B11R0.4 C=CCCCCNC(=O)CC=C 11a_100000703577_100000210193 [1,1,0,0,0,0|0,0,2]=4 4108 B11R0.4 C=CCCCCNC(=O)CC=C 1626a_100000703577_100000210193 [1,1,0,0,0,0|0,0,2]=4 4109 B11R0.4 C=CCCCCNC(=O)CC=C 240690a_100000703577_100000210193 [1,1,0,0,0,0|0,0,2]=4 4110 B11R0.4 C=CCCCCNC(=O)CC=C 527a_100000703577_100000210193 [1,1,0,0,0,0|0,0,2]=4 4111 B11R0.4 C=CCCCNCC(=O)OC=C 2230a_100000700776_100000036128 [1,1,0,0,0,0|0,0,2]=4 4112 B11R0.4 C=CCCCNCC(=O)OC=C 34a_100000700776_100000036128 [1,1,0,0,0,0|0,0,2]=4 4113 B11R0.4 C=CCCCOCC(=O)OC=C 34a_100000758997_100000036128 [1,1,0,0,0,0|0,0,2]=4 4114 B11R0.4 C=CCCCSCC(=O)OC=C 62a_100000036128_100000757094 [1,1,0,0,0,0|0,0,2]=4 4115 B11R0.4 C=CCCCSCC(=O)OC=C 62a_100011713584_100000036128 [1,1,0,0,0,0|0,0,2]=4 4116 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [1,1,0,0,0,0|2,0,0]=4 4117 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [1,1,0,0,0,0|2,0,0]=4 4118 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [1,1,0,0,0,0|2,0,0]=4 4119 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [1,1,0,0,0,0|2,0,0]=4 4120 B11R0.4 C=CCN(C)CCCCCCF 2230a_100000225617_100015922095 [1,1,0,0,0,0|2,0,0]=4 4121 B11R0.4 C=CCN(C)CCCCCCF 269982a_100000225617_100015922095 [1,1,0,0,0,0|2,0,0]=4 4122 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [1,1,0,0,0,0|2,0,0]=4 4123 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [1,1,0,0,0,0|2,0,0]=4 4124 B11R0.4 C=CCN(C)CCOCCCC 2230a_100000225617_100000743108 [1,1,0,0,0,0|2,0,0]=4 4125 B11R0.4 C=CCN(C)CCOCCCC 269982a_100000225617_100000743108 [1,1,0,0,0,0|2,0,0]=4 4126 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 4127 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 4128 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [1,1,0,0,0,0|1,0,1]=4 4129 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [1,1,0,0,0,0|0,0,0]=2 4130 B11R0.4 C=COC(=O)CNCCCCO 2230a_100000750430_100000036128 [1,1,0,0,0,0|1,0,0]=3 4131 B11R0.4 C=COC(=O)CNCCCCO 34a_100000750430_100000036128 [1,1,0,0,0,0|1,0,0]=3 4132 B11R0.4 C=COC(=O)CNCCCOC 34a_100150723488_100000036128 [1,1,0,0,0,0|1,0,0]=3 4133 B11R0.4 C=COC(=O)CNCCCSC 2230a_100000749238_100000036128 [1,1,0,0,0,0|1,0,0]=3 4134 B11R0.4 C=COC(=O)CNCCOCC 2230a_102516460346_100000036128 [1,1,0,0,0,0|1,0,0]=3 4135 B11R0.4 C=COC(=O)CNCCOCC 34a_102516460346_100000036128 [1,1,0,0,0,0|1,0,0]=3 4136 B11R0.4 C=COC(=O)CNCCSCC 2230a_100000106463_100000036128 [1,1,0,0,0,0|1,0,0]=3 4137 B11R0.4 C=COC(=O)COC/C=C\CC 34a_100016268518_100000036128 [1,1,0,0,0,0|0,0,2]=4 4138 B11R0.4 C=COC(=O)COCC#CCC 34a_100000032950_100000036128 [1,1,0,0,0,0|0,0,2]=4 4139 B11R0.4 C=COC(=O)COCC/C=C/C 34a_100016278192_100000036128 [1,1,0,0,0,0|0,0,2]=4 4140 B11R0.4 C=COC(=O)COCCC#CC 34a_100000750427_100000036128 [1,1,0,0,0,0|0,0,2]=4 4141 B11R0.4 C=COC(=O)COCCCCBr 34a_100011216708_100000036128 [1,1,0,0,0,0|1,0,0]=3 4142 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [1,1,0,0,0,0|0,0,0]=2 4143 B11R0.4 C=COC(=O)COCCCCCl 34a_100000210776_100000036128 [1,1,0,0,0,0|1,0,0]=3 4144 B11R0.4 C=COC(=O)COCCCCF 34a_100011995726_100000036128 [1,1,0,0,0,0|1,0,0]=3 4145 B11R0.4 C=COC(=O)COCCCCI 34a_200012148704_100000036128 [1,1,0,0,0,0|1,0,0]=3 4146 B11R0.4 C=COC(=O)COCCCCN 34a_100000750430_100000036128 [1,1,0,0,0,0|1,0,0]=3 4147 B11R0.4 C=COC(=O)COCCCNC 34a_100000213112_100000036128 [1,1,0,0,0,0|1,0,0]=3 4148 B11R0.4 C=COC(=O)COCCCOC 34a_100000740835_100000036128 [1,1,0,0,0,0|1,0,0]=3 4149 B11R0.4 C=COC(=O)COCCCSC 34a_100000690336_100000036128 [1,1,0,0,0,0|1,0,0]=3 4150 B11R0.4 C=COC(=O)COCCOCC 34a_100000210136_100000036128 [1,1,0,0,0,0|1,0,0]=3 4151 B11R0.4 C=COC(=O)COCCSCC 34a_100000212035_100000036128 [1,1,0,0,0,0|1,0,0]=3 4152 B11R0.4 C=COC(=O)CSC/C=C\CC 62a_100000036128_100103147603 [1,1,0,0,0,0|0,0,2]=4 4153 B11R0.4 C=COC(=O)CSC/C=C\CC 62a_100103147603_100000036128 [1,1,0,0,0,0|0,0,2]=4 4154 B11R0.4 C=COC(=O)CSCC#CCC 62a_100000036128_100009813939 [1,1,0,0,0,0|0,0,2]=4 4155 B11R0.4 C=COC(=O)CSCC#CCC 62a_100009813939_100000036128 [1,1,0,0,0,0|0,0,2]=4 4156 B11R0.4 C=COC(=O)CSCCCC#N 62a_100000036128_100000687738 [1,1,0,0,0,0|1,0,1]=4 4157 B11R0.4 C=COC(=O)CSCCCC#N 62a_100000687738_100000036128 [1,1,0,0,0,0|1,0,1]=4 4158 B11R0.4 C=COC(=O)CSCCCC=O 62a_100000036128_200011292268 [1,1,0,0,0,0|1,0,1]=4 4159 B11R0.4 C=COC(=O)CSCCCC=O 62a_200011292268_100000036128 [1,1,0,0,0,0|1,0,1]=4 4160 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [1,1,0,0,0,0|0,0,0]=2 4161 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [1,1,0,0,0,0|0,0,0]=2 4162 B11R0.4 C=COC(=O)CSCCCCF 62a_100000036128_100000729493 [1,1,0,0,0,0|1,0,0]=3 4163 B11R0.4 C=COC(=O)CSCCCCF 62a_100000729493_100000036128 [1,1,0,0,0,0|1,0,0]=3 4164 B11R0.4 C=COC(=O)CSCCCCO 62a_100000036128_100000210776 [1,1,0,0,0,0|1,0,0]=3 4165 B11R0.4 C=COC(=O)CSCCCCO 62a_100000210776_100000036128 [1,1,0,0,0,0|1,0,0]=3 4166 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [1,1,0,0,0,0|1,0,0]=3 4167 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [1,1,0,0,0,0|1,0,0]=3 4168 B11R0.4 C=COC(=O)CSCCOCC 62a_100000036128_100011215890 [1,1,0,0,0,0|1,0,0]=3 4169 B11R0.4 C=COC(=O)CSCCOCC 62a_100000210147_100000036128 [1,1,0,0,0,0|1,0,0]=3 4170 B11R0.4 C=COC(=O)CSCCSCC 62a_100000036128_100000757381 [1,1,0,0,0,0|1,0,0]=3 4171 B11R0.4 C=COC(=O)CSCCSCC 62a_100000757381_100000036128 [1,1,0,0,0,0|1,0,0]=3 4172 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|0,0,2]=4 4173 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [1,1,0,0,0,0|0,0,2]=4 4174 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [1,1,0,0,0,0|0,0,2]=4 4175 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [1,1,0,0,0,0|0,0,2]=4 4176 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,1,0,0,0,0|0,0,2]=4 4177 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,1,0,0,0,0|0,0,2]=4 4178 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,1,0,0,0,0|0,0,2]=4 4179 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [1,1,0,0,0,0|0,0,2]=4 4180 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,1,0,0,0,0|0,0,2]=4 4181 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,1,0,0,0,0|0,0,2]=4 4182 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,1,0,0,0,0|0,0,2]=4 4183 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [1,1,0,0,0,0|1,0,1]=4 4184 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [1,1,0,0,0,0|1,0,1]=4 4185 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [1,1,0,0,0,0|1,0,1]=4 4186 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [1,1,0,0,0,0|1,0,1]=4 4187 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [1,1,0,0,0,0|1,0,1]=4 4188 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,1,0,0,0,0|0,0,2]=4 4189 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,1,0,0,0,0|0,0,2]=4 4190 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,1,0,0,0,0|1,0,1]=4 4191 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,1,0,0,0,0|1,0,1]=4 4192 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,1,0,0,0,0|1,0,1]=4 4193 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,1,0,0,0,0|1,0,1]=4 4194 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [1,1,0,0,0,0|1,0,1]=4 4195 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,1,0,0,0,0|1,0,1]=4 4196 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,1,0,0,0,0|1,0,1]=4 4197 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,1,0,0,0,0|1,0,1]=4 4198 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [1,1,0,0,0,0|1,0,1]=4 4199 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [1,1,0,0,0,0|1,0,1]=4 4200 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [1,1,0,0,0,0|1,0,1]=4 4201 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [1,1,0,0,0,0|1,0,1]=4 4202 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [1,1,0,0,0,0|1,0,1]=4 4203 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [1,1,0,0,0,0|1,0,1]=4 4204 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [1,1,0,0,0,0|1,0,1]=4 4205 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [1,1,0,0,0,0|1,0,1]=4 4206 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [1,1,0,0,0,0|0,0,2]=4 4207 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [1,1,0,0,0,0|0,0,2]=4 4208 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [1,1,0,0,0,0|0,0,2]=4 4209 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [1,1,0,0,0,0|0,0,2]=4 4210 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [1,1,0,0,0,0|1,0,1]=4 4211 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [1,1,0,0,0,0|1,0,1]=4 4212 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [1,1,0,0,0,0|1,0,1]=4 4213 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [1,1,0,0,0,0|1,0,1]=4 4214 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 4215 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 4216 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 4217 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [1,1,0,0,0,0|1,0,1]=4 4218 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 4219 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [1,1,0,0,0,0|1,0,1]=4 4220 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [1,1,0,0,0,0|1,0,1]=4 4221 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [1,1,0,0,0,0|1,0,1]=4 4222 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [1,1,0,0,0,0|1,0,1]=4 4223 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [1,1,0,0,0,0|1,0,1]=4 4224 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [1,1,0,0,0,0|1,0,1]=4 4225 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [1,1,0,0,0,0|1,0,1]=4 4226 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [1,1,0,0,0,0|1,0,1]=4 4227 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [1,1,0,0,0,0|1,0,1]=4 4228 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [1,1,0,0,0,0|1,0,1]=4 4229 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [1,1,0,0,0,0|1,0,1]=4 4230 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [1,1,0,0,0,0|1,0,1]=4 4231 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [1,1,0,0,0,0|0,0,2]=4 4232 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [1,1,0,0,0,0|1,0,1]=4 4233 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [1,1,0,0,0,0|1,0,1]=4 4234 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [1,1,0,0,0,0|2,0,0]=4 4235 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [1,1,0,0,0,0|0,0,1]=3 4236 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [1,1,0,0,0,0|0,0,2]=4 4237 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [1,1,0,0,0,0|1,0,1]=4 4238 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [1,1,0,0,0,0|1,0,1]=4 4239 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [1,1,0,0,0,0|2,0,0]=4 4240 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [1,1,0,0,0,0|2,0,0]=4 4241 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [1,1,0,0,0,0|0,0,1]=3 4242 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [1,1,0,0,0,0|0,0,1]=3 4243 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [1,1,0,0,0,0|0,0,2]=4 4244 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [1,1,0,0,0,0|0,0,2]=4 4245 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [1,1,0,0,0,0|1,0,1]=4 4246 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [1,1,0,0,0,0|1,0,1]=4 4247 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [1,1,0,0,0,0|2,0,0]=4 4248 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [1,1,0,0,0,0|2,0,0]=4 4249 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [1,1,0,0,0,0|0,0,1]=3 4250 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [1,1,0,0,0,0|0,0,1]=3 4251 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [1,1,0,0,0,0|1,0,1]=4 4252 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [1,1,0,0,0,0|1,0,1]=4 4253 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [1,1,0,0,0,0|1,0,1]=4 4254 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [1,1,0,0,0,0|0,0,1]=3 4255 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [1,1,0,0,0,0|0,0,1]=3 4256 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [1,1,0,0,0,0|1,0,1]=4 4257 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [1,1,0,0,0,0|1,0,1]=4 4258 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [1,1,0,0,0,0|1,0,1]=4 4259 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [1,1,0,0,0,0|1,0,1]=4 4260 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,1,0,0,0,0|0,0,2]=4 4261 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,1,0,0,0,0|1,0,1]=4 4262 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [1,1,0,0,0,0|1,0,1]=4 4263 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [1,1,0,0,0,0|1,0,1]=4 4264 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [1,1,0,0,0,0|1,0,1]=4 4265 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [1,1,0,0,0,0|0,0,1]=3 4266 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [1,1,0,0,0,0|0,0,1]=3 4267 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [1,1,0,0,0,0|1,0,1]=4 4268 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [1,1,0,0,0,0|1,0,1]=4 4269 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [1,1,0,0,0,0|0,0,1]=3 4270 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [1,1,0,0,0,0|0,0,1]=3 4271 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [1,1,0,0,0,0|1,0,1]=4 4272 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [1,1,0,0,0,0|0,0,1]=3 4273 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [1,1,0,0,0,0|0,0,1]=3 4274 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [1,1,0,0,0,0|1,0,1]=4 4275 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [1,1,0,0,0,0|0,0,1]=3 4276 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [1,1,0,0,0,0|0,0,1]=3 4277 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [1,1,0,0,0,0|1,0,1]=4 4278 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [1,1,0,0,0,0|1,0,1]=4 4279 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [1,1,0,0,0,0|1,0,1]=4 4280 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [1,1,0,0,0,0|1,0,1]=4 4281 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [1,1,0,0,0,0|1,0,1]=4 4282 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,1,0,0,0,0|0,0,1]=3 4283 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [1,1,0,0,0,0|1,0,1]=4 4284 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,1,0,0,0,0|0,0,1]=3 4285 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,1,0,0,0,0|0,0,1]=3 4286 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,1,0,0,0,0|0,0,1]=3 4287 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,1,0,0,0,0|0,0,1]=3 4288 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,1,0,0,0,0|0,0,1]=3 4289 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,1,0,0,0,0|0,0,1]=3 4290 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,1,0,0,0,0|0,0,1]=3 4291 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,1,0,0,0,0|0,0,1]=3 4292 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,1,0,0,0,0|0,0,1]=3 4293 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,1,0,0,0,0|0,0,1]=3 4294 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,1,0,0,0,0|0,0,1]=3 4295 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,1,0,0,0,0|0,0,1]=3 4296 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [1,1,0,0,0,0|1,0,1]=4 4297 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [1,1,0,0,0,0|1,0,1]=4 4298 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [1,1,0,0,0,0|1,0,1]=4 4299 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [1,1,0,0,0,0|1,0,1]=4 4300 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [1,1,0,0,0,0|1,0,1]=4 4301 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [1,1,0,0,0,0|1,0,1]=4 4302 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [1,1,0,0,0,0|1,0,1]=4 4303 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [1,1,0,0,0,0|1,0,1]=4 4304 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [1,1,0,0,0,0|1,0,1]=4 4305 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [1,1,0,0,0,0|1,0,1]=4 4306 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [1,1,0,0,0,0|1,0,1]=4 4307 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [1,1,0,0,0,0|1,0,1]=4 4308 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [1,1,0,0,0,0|1,0,1]=4 4309 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [1,1,0,0,0,0|1,0,1]=4 4310 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [1,1,0,0,0,0|1,0,1]=4 4311 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [1,1,0,0,0,0|1,0,1]=4 4312 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [1,1,0,0,0,0|1,0,1]=4 4313 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [1,1,0,0,0,0|1,0,1]=4 4314 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [1,1,0,0,0,0|1,0,1]=4 4315 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [1,1,0,0,0,0|1,0,1]=4 4316 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [1,1,0,0,0,0|1,0,1]=4 4317 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [1,1,0,0,0,0|1,0,1]=4 4318 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [1,1,0,0,0,0|1,0,1]=4 4319 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [1,1,0,0,0,0|1,0,1]=4 4320 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [1,1,0,0,0,0|1,0,1]=4 4321 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,1,0,0,0,0|1,0,1]=4 4322 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [1,1,0,0,0,0|1,0,1]=4 4323 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [1,1,0,0,0,0|1,0,1]=4 4324 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [1,1,0,0,0,0|1,0,1]=4 4325 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [1,1,0,0,0,0|1,0,1]=4 4326 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [1,1,0,0,0,0|1,0,1]=4 4327 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [1,1,0,0,0,0|1,0,1]=4 4328 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [1,1,0,0,0,0|1,0,1]=4 4329 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [1,1,0,0,0,0|1,0,1]=4 4330 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [1,1,0,0,0,0|1,0,1]=4 4331 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [1,1,0,0,0,0|1,0,1]=4 4332 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [1,1,0,0,0,0|1,0,1]=4 4333 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [1,1,0,0,0,0|1,0,1]=4 4334 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [1,1,0,0,0,0|1,0,1]=4 4335 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [1,1,0,0,0,0|1,0,1]=4 4336 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [1,1,0,0,0,0|1,0,1]=4 4337 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [1,1,0,0,0,0|1,0,1]=4 4338 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [1,1,0,0,0,0|1,0,1]=4 4339 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [1,1,0,0,0,0|1,0,1]=4 4340 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [1,1,0,0,0,0|1,0,1]=4 4341 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [1,1,0,0,0,0|1,0,1]=4 4342 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [1,1,0,0,0,0|1,0,1]=4 4343 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [1,1,0,0,0,0|1,0,1]=4 4344 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [1,1,0,0,0,0|1,0,1]=4 4345 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [1,1,0,0,0,0|1,0,1]=4 4346 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [1,1,0,0,0,0|1,0,1]=4 4347 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [1,1,0,0,0,0|1,0,1]=4 4348 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [1,1,0,0,0,0|1,0,1]=4 4349 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [1,1,0,0,0,0|1,0,1]=4 4350 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [1,1,0,0,0,0|1,0,1]=4 4351 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [1,1,0,0,0,0|1,0,1]=4 4352 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [1,1,0,0,0,0|1,0,1]=4 4353 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [1,1,0,0,0,0|1,0,1]=4 4354 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [1,1,0,0,0,0|1,0,1]=4 4355 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [1,1,0,0,0,0|1,0,1]=4 4356 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [1,1,0,0,0,0|1,0,1]=4 4357 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [1,1,0,0,0,0|1,0,1]=4 4358 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [1,1,0,0,0,0|1,0,1]=4 4359 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [1,1,0,0,0,0|1,0,1]=4 4360 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [1,1,0,0,0,0|1,0,1]=4 4361 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [1,1,0,0,0,0|1,0,1]=4 4362 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [1,1,0,0,0,0|1,0,1]=4 4363 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [1,1,0,0,0,0|1,0,1]=4 4364 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [1,1,0,0,0,0|1,0,1]=4 4365 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [1,1,0,0,0,0|1,0,1]=4 4366 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [1,1,0,0,0,0|1,0,1]=4 4367 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [1,1,0,0,0,0|1,0,1]=4 4368 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,1,0,0,0,0|0,0,1]=3 4369 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [1,1,0,0,0,0|1,0,1]=4 4370 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [1,1,0,0,0,0|1,0,1]=4 4371 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [1,1,0,0,0,0|1,0,1]=4 4372 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [1,1,0,0,0,0|1,0,1]=4 4373 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [1,1,0,0,0,0|1,0,1]=4 4374 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [1,1,0,0,0,0|1,0,1]=4 4375 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [1,1,0,0,0,0|1,0,1]=4 4376 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [1,1,0,0,0,0|1,0,1]=4 4377 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [1,1,0,0,0,0|1,0,1]=4 4378 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [1,1,0,0,0,0|1,0,1]=4 4379 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [1,1,0,0,0,0|1,0,1]=4 4380 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [1,1,0,0,0,0|1,0,1]=4 4381 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [1,1,0,0,0,0|1,0,1]=4 4382 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [1,1,0,0,0,0|1,0,1]=4 4383 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,1,0,0,0,0|1,0,1]=4 4384 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [1,1,0,0,0,0|1,0,1]=4 4385 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [1,1,0,0,0,0|1,0,1]=4 4386 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [1,1,0,0,0,0|1,0,1]=4 4387 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [1,1,0,0,0,0|1,0,1]=4 4388 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [1,1,0,0,0,0|1,0,1]=4 4389 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [1,1,0,0,0,0|1,0,1]=4 4390 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [1,1,0,0,0,0|1,0,1]=4 4391 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [1,1,0,0,0,0|1,0,1]=4 4392 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [1,1,0,0,0,0|1,0,1]=4 4393 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [1,1,0,0,0,0|1,0,1]=4 4394 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [1,1,0,0,0,0|1,0,1]=4 4395 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [1,1,0,0,0,0|1,0,1]=4 4396 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [1,1,0,0,0,0|1,0,1]=4 4397 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [1,1,0,0,0,0|1,0,1]=4 4398 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [1,1,0,0,0,0|1,0,1]=4 4399 B11R0.5 C=CCC(=O)CC(=O)NCCC 1458a_100000210193_100000183358 [1,1,0,0,0,0|1,0,1]=4 4400 B11R0.5 C=CCC(=O)CC(=O)OCCC 1458a_100000210193_200011215008 [1,1,0,0,0,0|1,0,1]=4 4401 B11R0.5 C=CCC(=O)NC(C)CCCC 11a_100000126638_100000210193 [1,1,0,0,0,0|1,0,0]=3 4402 B11R0.5 C=CCC(=O)NC(C)CCCC 1626a_100000126638_100000210193 [1,1,0,0,0,0|1,0,0]=3 4403 B11R0.5 C=CCC(=O)NC(C)CCCC 240690a_100000126638_100000210193 [1,1,0,0,0,0|1,0,0]=3 4404 B11R0.5 C=CCC(=O)NC(C)CCCC 527a_100000126638_100000210193 [1,1,0,0,0,0|1,0,0]=3 4405 B11R0.5 C=COC(=O)CC(=O)CCCC 1458a_100000210183_100000036128 [1,1,0,0,0,0|0,0,1]=3 4406 B11R0.5 C=COC(=O)CC(=O)CCOC 1458a_100000749529_100000036128 [1,1,0,0,0,0|1,0,1]=4 4407 B11R0.5 C=COC(=O)CC(=O)CCSC 1458a_100000174002_100000036128 [1,1,0,0,0,0|1,0,1]=4 4408 B11R0.5 C=COC(=O)CC(=O)COCC 1458a_100000211967_100000036128 [1,1,0,0,0,0|1,0,1]=4 4409 B11R0.5 C=COC(=O)CC(=O)CSCC 1458a_100000230394_100000036128 [1,1,0,0,0,0|1,0,1]=4 4410 B11R0.5 C=COC(=O)CN(C)CCCC 2230a_100000207549_100000036128 [1,1,0,0,0,0|1,0,0]=3 4411 B11R0.5 C=COC(=O)CN(C)CCCC 269982a_100000207549_100000036128 [1,1,0,0,0,0|1,0,0]=3 4412 B11R0.5 C=COC(=O)CN(C)CCCO 2230a_100000213112_100000036128 [1,1,0,0,0,0|2,0,0]=4 4413 B11R0.5 C=COC(=O)CN(C)CCCO 269982a_100000213112_100000036128 [1,1,0,0,0,0|2,0,0]=4 4414 B11R0.5 C=COC(=O)CN(C)CCOC 2230a_100000743101_100000036128 [1,1,0,0,0,0|2,0,0]=4 4415 B11R0.5 C=COC(=O)CN(C)CCOC 269982a_100000743101_100000036128 [1,1,0,0,0,0|2,0,0]=4 4416 B11R0.5 C=COC(=O)CN(C)CCSC 2230a_100000686725_100000036128 [1,1,0,0,0,0|2,0,0]=4 4417 B11R0.5 C=COC(=O)CN(C)CCSC 269982a_100000686725_100000036128 [1,1,0,0,0,0|2,0,0]=4 4418 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [1,1,0,0,0,0|0,0,2]=4 4419 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [1,1,0,0,0,0|0,0,2]=4 4420 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [1,1,0,0,0,0|1,0,1]=4 4421 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [1,1,0,0,0,0|1,0,1]=4 4422 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [1,1,0,0,0,0|1,0,1]=4 4423 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,1,0,0,0,0|1,0,1]=4 4424 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,1,0,0,0,0|1,0,1]=4 4425 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,1,0,0,0,0|1,0,1]=4 4426 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,1,0,0,0,0|1,0,1]=4 4427 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,1,0,0,0,0|1,0,1]=4 4428 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,1,0,0,0,0|1,0,1]=4 4429 B11R0.62 C=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000210623 [1,1,0,0,0,0|1,0,1]=4 4430 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [1,1,0,0,0,0|1,0,1]=4 4431 B11R0.62 C=CCC(=O)COC(=O)CCC 1458a_100000210193_100000034017 [1,1,0,0,0,0|1,0,1]=4 4432 B11R0.62 C=CCC(=O)NCC(O)COC 240690a_100000756049_100000210193 [1,1,0,0,0,0|2,0,0]=4 4433 B11R0.62 C=CCC(=O)NCC(O)COC 527a_100000756049_100000210193 [1,1,0,0,0,0|2,0,0]=4 4434 B11R0.62 C=COC(=O)CNC(C)CCC 2230a_100000741246_100000036128 [1,1,0,0,0,0|1,0,0]=3 4435 B11R0.62 C=COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000036128 [1,1,0,0,0,0|2,0,0]=4 4436 B11R0.62 C=COC(=O)CN[C@H](C)CCO 34a_100000706166_100000036128 [1,1,0,0,0,0|2,0,0]=4 4437 B11R0.62 C=COC(=O)CN[C@H](C)COC 2230a_100000764878_100000036128 [1,1,0,0,0,0|2,0,0]=4 4438 B11R0.62 C=COC(=O)COC(C)CCBr 34a_100012276601_100000036128 [1,1,0,0,0,0|2,0,0]=4 4439 B11R0.62 C=COC(=O)COC(C)CCC 34a_100000764384_100000036128 [1,1,0,0,0,0|1,0,0]=3 4440 B11R0.62 C=COC(=O)CO[C@H](C)COC 34a_100011934205_100000036128 [1,1,0,0,0,0|2,0,0]=4 4441 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000036128_100000766640 [1,1,0,0,0,0|1,0,0]=3 4442 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000766640_100000036128 [1,1,0,0,0,0|1,0,0]=3 4443 B11R0.62 C=COC(=O)CSC(C)CCO 62a_100000036128_100009893172 [1,1,0,0,0,0|2,0,0]=4 4444 B11R0.62 C=COC(=O)CSC(C)CCO 62a_100009893172_100000036128 [1,1,0,0,0,0|2,0,0]=4 4445 B11R0.62 C=COC(=O)CSC(C)COC 62a_100000036128_100000765312 [1,1,0,0,0,0|2,0,0]=4 4446 B11R0.62 C=COC(=O)CSC(C)COC 62a_100000765312_100000036128 [1,1,0,0,0,0|2,0,0]=4 4447 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [1,1,0,0,0,0|0,0,2]=4 4448 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [1,1,0,0,0,0|1,0,1]=4 4449 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [1,1,0,0,0,0|1,0,1]=4 4450 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [1,1,0,0,0,0|1,0,1]=4 4451 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [1,1,0,0,0,0|1,0,1]=4 4452 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [1,1,0,0,0,0|1,0,1]=4 4453 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [1,1,0,0,0,0|1,0,1]=4 4454 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [1,1,0,0,0,0|1,0,1]=4 4455 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [1,1,0,0,0,0|1,0,1]=4 4456 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [1,1,0,0,0,0|1,0,1]=4 4457 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [1,1,0,0,0,0|1,0,1]=4 4458 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [1,1,0,0,0,0|1,0,1]=4 4459 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [1,1,0,0,0,0|1,0,1]=4 4460 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [1,1,0,0,0,0|1,0,1]=4 4461 B11R0.142 C#CC(C)C(=O)CCCCCC 1458a_100102632555_200000035995 [1,1,0,0,0,0|0,0,2]=4 4462 B11R0.142 C#CCCCCC(=O)C(C)C=C 1458a_100011216780_100010269958 [1,1,0,0,0,0|0,0,2]=4 4463 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [1,1,0,0,0,0|0,0,2]=4 4464 B11R0.142 C=CC(C)C(=O)CC/C=C\CC 1458a_100011216780_100015370543 [1,1,0,0,0,0|0,0,2]=4 4465 B11R0.142 C=CC(C)C(=O)CCCCC#N 1458a_100011216780_100000211819 [1,1,0,0,0,0|1,0,1]=4 4466 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [1,1,0,0,0,0|0,0,0]=2 4467 B11R0.142 C=CC(C)C(=O)CCCCCF 1458a_100011216780_100000729378 [1,1,0,0,0,0|1,0,0]=3 4468 B11R0.142 C=CC(C)C(=O)CCCCCO 1458a_100011216780_100000746330 [1,1,0,0,0,0|1,0,0]=3 4469 B11R0.142 C=CC(C)C(=O)CCCCOC 1458a_100011216780_100000755781 [1,1,0,0,0,0|1,0,0]=3 4470 B11R0.142 C=CC(C)C(=O)CCCOCC 1458a_100011216780_100012232248 [1,1,0,0,0,0|1,0,0]=3 4471 B11R0.142 C=CC(C)C(=O)CCOCCC 1458a_100011216780_100011215938 [1,1,0,0,0,0|1,0,0]=3 4472 B11R0.142 C=CC(C)C(=O)CCOCCO 1458a_100011216780_100011215305 [1,1,0,0,0,0|2,0,0]=4 4473 B11R0.142 C=CC(C)C(=O)COCCCC 1458a_100011216780_100011995733 [1,1,0,0,0,0|1,0,0]=3 4474 B11R0.142 C=CC(C)C(=O)NCCCCC 11a_100000209983_100011216780 [1,1,0,0,0,0|1,0,0]=3 4475 B11R0.142 C=CC(C)C(=O)NCCCCC 1626a_100000209983_100011216780 [1,1,0,0,0,0|1,0,0]=3 4476 B11R0.142 C=CC(C)C(=O)NCCCCC 240690a_100000209983_100011216780 [1,1,0,0,0,0|1,0,0]=3 4477 B11R0.142 C=CC(C)C(=O)NCCCCC 527a_100000209983_100011216780 [1,1,0,0,0,0|1,0,0]=3 4478 B11R0.142 C=CC(C)C(=O)NCCCCO 240690a_100000750430_100011216780 [1,1,0,0,0,0|2,0,0]=4 4479 B11R0.142 C=CC(C)C(=O)NCCCCO 527a_100000750430_100011216780 [1,1,0,0,0,0|2,0,0]=4 4480 B11R0.142 C=CC(C)C(=O)NCCCOC 1626a_100150723488_100011216780 [1,1,0,0,0,0|2,0,0]=4 4481 B11R0.142 C=CC(C)C(=O)NCCCOC 240690a_100150723488_100011216780 [1,1,0,0,0,0|2,0,0]=4 4482 B11R0.142 C=CC(C)C(=O)NCCCOC 527a_100150723488_100011216780 [1,1,0,0,0,0|2,0,0]=4 4483 B11R0.142 C=CC(C)C(=O)NCCCSC 11a_100000749238_100011216780 [1,1,0,0,0,0|2,0,0]=4 4484 B11R0.142 C=CC(C)C(=O)NCCCSC 1626a_100000749238_100011216780 [1,1,0,0,0,0|2,0,0]=4 4485 B11R0.142 C=CC(C)C(=O)NCCCSC 240690a_100000749238_100011216780 [1,1,0,0,0,0|2,0,0]=4 4486 B11R0.142 C=CC(C)C(=O)NCCCSC 527a_100000749238_100011216780 [1,1,0,0,0,0|2,0,0]=4 4487 B11R0.142 C=CC(C)C(=O)NCCOCC 11a_100011200944_100011216780 [1,1,0,0,0,0|2,0,0]=4 4488 B11R0.142 C=CC(C)C(=O)NCCOCC 1626a_102516460346_100011216780 [1,1,0,0,0,0|2,0,0]=4 4489 B11R0.142 C=CC(C)C(=O)NCCOCC 240690a_100011200944_100011216780 [1,1,0,0,0,0|2,0,0]=4 4490 B11R0.142 C=CC(C)C(=O)NCCOCC 527a_100011200944_100011216780 [1,1,0,0,0,0|2,0,0]=4 4491 B11R0.142 C=CC(C)C(=O)NCCSCC 11a_100000106463_100011216780 [1,1,0,0,0,0|2,0,0]=4 4492 B11R0.142 C=CC(C)C(=O)NCCSCC 1626a_100000106463_100011216780 [1,1,0,0,0,0|2,0,0]=4 4493 B11R0.142 C=CC(C)C(=O)NCCSCC 240690a_100000106463_100011216780 [1,1,0,0,0,0|2,0,0]=4 4494 B11R0.142 C=CC(C)C(=O)NCCSCC 527a_100000106463_100011216780 [1,1,0,0,0,0|2,0,0]=4 4495 B11R0.142 C=CC(C)C(=O)NNCCCC 22a_100025702795_100011216780 [1,1,0,0,0,0|2,0,0]=4 4496 B11R0.142 C=CC(C)N(C)CCCCCC 269982a_106256046315_100011215867 [1,1,0,0,0,0|2,0,0]=4 4497 B11R0.142 C=CCCCCC(=O)C(C)C=C 1458a_100011216780_100011215482 [1,1,0,0,0,0|0,0,2]=4 4498 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210757 [1,1,0,0,0,0|1,0,1]=4 4499 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100102632555_100000703298 [1,1,0,0,0,0|1,0,1]=4 4500 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [1,1,0,0,0,0|0,0,2]=4 4501 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [1,1,0,0,0,0|0,0,2]=4 4502 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [1,1,0,0,0,0|1,0,1]=4 4503 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [1,1,0,0,0,0|1,0,1]=4 4504 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [1,1,0,0,0,0|0,0,2]=4 4505 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [1,1,0,0,0,0|1,0,1]=4 4506 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 4507 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 4508 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 4509 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 4510 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011215998_100000184674 [1,1,0,0,0,0|0,0,2]=4 4511 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011220946_200011218191 [1,1,0,0,0,0|0,0,2]=4 4512 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [1,1,0,0,0,0|0,0,0]=2 4513 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [1,1,0,0,0,0|0,0,0]=2 4514 B11R0.155 C=CCC(=O)C(C)SCCCC 1458a_100000191163_100000210623 [1,1,0,0,0,0|1,0,0]=3 4515 B11R0.155 C=CCC(=O)N(C)CCCCC 11a_100000223495_100000210193 [1,1,0,0,0,0|1,0,0]=3 4516 B11R0.155 C=CCC(=O)N(C)CCCCC 1626a_100000223495_100000210193 [1,1,0,0,0,0|1,0,0]=3 4517 B11R0.155 C=CCC(=O)N(C)CCCCC 240690a_100000223495_100000210193 [1,1,0,0,0,0|1,0,0]=3 4518 B11R0.155 C=CCC(=O)N(C)CCCCC 527a_100000223495_100000210193 [1,1,0,0,0,0|1,0,0]=3 4519 B11R0.155 C=CCC(=O)N(C)CCCCO 240690a_100000717598_100000210193 [1,1,0,0,0,0|2,0,0]=4 4520 B11R0.155 C=CCC(=O)N(C)CCCOC 11a_100000224831_100000210193 [1,1,0,0,0,0|2,0,0]=4 4521 B11R0.155 C=CCC(=O)N(C)CCCOC 1626a_100000224831_100000210193 [1,1,0,0,0,0|2,0,0]=4 4522 B11R0.155 C=CCC(=O)N(C)CCCOC 240690a_100000224831_100000210193 [1,1,0,0,0,0|2,0,0]=4 4523 B11R0.155 C=CCC(=O)N(C)CCCOC 527a_100000224831_100000210193 [1,1,0,0,0,0|2,0,0]=4 4524 B11R0.155 C=CCN(C)C(C)CCCCC 2230a_100000225617_200011218191 [1,1,0,0,0,0|2,0,0]=4 4525 B11R0.155 C=CCN(C)C(C)CCCCC 269982a_100000225617_200011218191 [1,1,0,0,0,0|2,0,0]=4 4526 B11R0.155 C=CCN(C)C(C)CCCCC 270004a_100000225617_100000211708 [1,1,0,0,0,0|2,0,0]=4 4527 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [1,1,0,0,0,0|0,0,2]=4 4528 B11R0.155 CCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218191 [1,1,0,0,0,0|1,0,1]=4 4529 B11R0.155 CCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218191 [1,1,0,0,0,0|1,0,1]=4 4530 B11R0.155 CCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218191 [1,1,0,0,0,0|1,0,1]=4 4531 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100011215998_100011214920 [1,1,0,0,0,0|1,0,1]=4 4532 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218191 [1,1,0,0,0,0|1,0,1]=4 4533 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [1,1,0,0,0,0|0,0,2]=4 4534 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [1,1,0,0,0,0|0,0,2]=4 4535 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [1,1,0,0,0,0|1,0,1]=4 4536 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [1,1,0,0,0,0|1,0,1]=4 4537 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [1,1,0,0,0,0|1,0,1]=4 4538 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [1,1,0,0,0,0|1,0,1]=4 4539 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [1,1,0,0,0,0|1,0,1]=4 4540 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [1,1,0,0,0,0|1,0,1]=4 4541 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [1,1,0,0,0,0|1,0,1]=4 4542 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [1,1,0,0,0,0|1,0,1]=4 4543 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [1,1,0,0,0,0|1,0,1]=4 4544 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [1,1,0,0,0,0|1,0,1]=4 4545 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [1,1,0,0,0,0|1,0,1]=4 4546 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [1,1,0,0,0,0|1,0,1]=4 4547 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [1,1,0,0,0,0|1,0,1]=4 4548 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [1,1,0,0,0,0|1,0,1]=4 4549 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [1,1,0,0,0,0|1,0,1]=4 4550 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [1,1,0,0,0,0|1,0,1]=4 4551 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [1,1,0,0,0,0|1,0,1]=4 4552 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [1,1,0,0,0,0|1,0,1]=4 4553 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [1,1,0,0,0,0|1,0,1]=4 4554 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [1,1,0,0,0,0|1,0,1]=4 4555 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [1,1,0,0,0,0|1,0,1]=4 4556 B11R0.174 C=CCC(=O)CCCC(=O)NC 1458a_100000210193_100000741757 [1,1,0,0,0,0|1,0,1]=4 4557 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000210193_100011218270 [1,1,0,0,0,0|1,0,1]=4 4558 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210623 [1,1,0,0,0,0|1,0,1]=4 4559 B11R0.174 C=CCC(=O)CCCN(C)CC 1458a_100000210193_100015186262 [1,1,0,0,0,0|1,0,0]=3 4560 B11R0.174 C=CCC(=O)NCCC(C)CC 11a_100020591266_100000210193 [1,1,0,0,0,0|1,0,0]=3 4561 B11R0.174 C=CCC(=O)NCCC(C)CC 1626a_100020591266_100000210193 [1,1,0,0,0,0|1,0,0]=3 4562 B11R0.174 C=CCC(=O)NCCC(C)CC 240690a_100020591266_100000210193 [1,1,0,0,0,0|1,0,0]=3 4563 B11R0.174 C=CCC(=O)NCCC(C)CC 527a_100020591266_100000210193 [1,1,0,0,0,0|1,0,0]=3 4564 B11R0.174 C=CCC(=O)NCCC(C)CO 240690a_106354213184_100000210193 [1,1,0,0,0,0|2,0,0]=4 4565 B11R0.174 C=CCC(=O)NCCC(C)CO 527a_106354213184_100000210193 [1,1,0,0,0,0|2,0,0]=4 4566 B11R0.174 C=CCC(=O)NNCC(O)CC 22a_100015206393_100000210193 [1,1,0,0,0,0|2,0,0]=4 4567 B11R0.174 C=COC(=O)CNCC(C)CC 2230a_100020588543_100000036128 [1,1,0,0,0,0|1,0,0]=3 4568 B11R0.174 C=COC(=O)CNCC(C)CO 34a_100000744482_100000036128 [1,1,0,0,0,0|2,0,0]=4 4569 B11R0.174 C=COC(=O)CNCC(O)CC 2230a_100011218483_100000036128 [1,1,0,0,0,0|1,0,0]=3 4570 B11R0.174 C=COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000036128 [1,1,0,0,0,0|2,0,0]=4 4571 B11R0.174 C=COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000036128 [1,1,0,0,0,0|2,0,0]=4 4572 B11R0.174 C=COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000036128 [1,1,0,0,0,0|2,0,0]=4 4573 B11R0.174 C=COC(=O)COCC(=O)CC 34a_100000725409_100000036128 [1,1,0,0,0,0|1,0,1]=4 4574 B11R0.174 C=COC(=O)COCC(C)CN 34a_100000744482_100000036128 [1,1,0,0,0,0|2,0,0]=4 4575 B11R0.174 C=COC(=O)COCC(C)OC 34a_100000690652_100000036128 [1,1,0,0,0,0|2,0,0]=4 4576 B11R0.174 C=COC(=O)COCC(Cl)CCl 34a_100000033668_100000036128 [1,1,0,0,0,0|2,0,0]=4 4577 B11R0.174 C=COC(=O)COC[C@H](F)CN 34a_100015665980_100000036128 [1,1,0,0,0,0|2,0,0]=4 4578 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000036128_100000747405 [1,1,0,0,0,0|1,0,1]=4 4579 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000747405_100000036128 [1,1,0,0,0,0|1,0,1]=4 4580 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000036128_100000748023 [1,1,0,0,0,0|1,0,0]=3 4581 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000748023_100000036128 [1,1,0,0,0,0|1,0,0]=3 4582 B11R0.174 C=COC(=O)CSCC(O)CC 62a_100000036128_100011218378 [1,1,0,0,0,0|1,0,0]=3 4583 B11R0.174 C=COC(=O)CSCC(O)CC 62a_100011218378_100000036128 [1,1,0,0,0,0|1,0,0]=3 4584 B11R0.174 C=COC(=O)CSCC(O)CO 62a_100000036128_100011219619 [1,1,0,0,0,0|2,0,0]=4 4585 B11R0.174 C=COC(=O)CSCC(O)CO 62a_100011219619_100000036128 [1,1,0,0,0,0|2,0,0]=4 4586 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100000036128_100009816398 [1,1,0,0,0,0|1,0,0]=3 4587 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100009816398_100000036128 [1,1,0,0,0,0|1,0,0]=3 4588 B11R0.174 C=COC(=O)CSC[C@@H](C)CO 62a_100000036128_100000059175 [1,1,0,0,0,0|2,0,0]=4 4589 B11R0.174 C=COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000036128 [1,1,0,0,0,0|2,0,0]=4 4590 B11R0.174 C=COC(=O)CSC[C@@H](O)CF 62a_100000036128_100015614560 [1,1,0,0,0,0|2,0,0]=4 4591 B11R0.174 C=COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000036128 [1,1,0,0,0,0|2,0,0]=4 4592 B11R0.174 C=COC(=O)CSC[C@@H](O)CO 62a_100000036128_100009815848 [1,1,0,0,0,0|2,0,0]=4 4593 B11R0.174 C=COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000036128 [1,1,0,0,0,0|2,0,0]=4 4594 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [1,1,0,0,0,0|0,0,2]=4 4595 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [1,1,0,0,0,0|0,0,2]=4 4596 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [1,1,0,0,0,0|1,0,1]=4 4597 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [1,1,0,0,0,0|1,0,1]=4 4598 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [1,1,0,0,0,0|1,0,1]=4 4599 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [1,1,0,0,0,0|1,0,1]=4 4600 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [1,1,0,0,0,0|1,0,1]=4 4601 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [1,1,0,0,0,0|1,0,1]=4 4602 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [1,1,0,0,0,0|1,0,1]=4 4603 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [1,1,0,0,0,0|1,0,1]=4 4604 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [1,1,0,0,0,0|1,0,1]=4 4605 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [1,1,0,0,0,0|1,0,1]=4 4606 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [1,1,0,0,0,0|1,0,1]=4 4607 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [1,1,0,0,0,0|1,0,1]=4 4608 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [1,1,0,0,0,0|1,0,1]=4 4609 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [1,1,0,0,0,0|1,0,1]=4 4610 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [1,1,0,0,0,0|1,0,1]=4 4611 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011220946_100011216152 [1,1,0,0,0,0|0,0,2]=4 4612 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011933920_100000184674 [1,1,0,0,0,0|0,0,2]=4 4613 B11R0.176 C=CCC(=O)CCCCB(O)O 1458a_100000210193_200009817182 [1,1,0,0,0,0|2,0,0]=4 4614 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [1,1,0,0,0,0|0,0,1]=3 4615 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [1,1,0,0,0,0|0,0,0]=2 4616 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [1,1,0,0,0,0|0,0,0]=2 4617 B11R0.176 C=CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210623 [1,1,0,0,0,0|1,0,1]=4 4618 B11R0.176 C=CCC(=O)CCCOC(=O)C 1458a_100000210193_100000042594 [1,1,0,0,0,0|1,0,1]=4 4619 B11R0.176 C=CCC(=O)CCCOC(=S)C 1458a_100000210193_200135323944 [1,1,0,0,0,0|1,0,1]=4 4620 B11R0.176 C=CCC(=O)CCCSC(=O)C 1458a_100000210193_100000038929 [1,1,0,0,0,0|1,0,1]=4 4621 B11R0.176 C=CCC(=O)CCOCC(F)F 1458a_100000210193_200012177212 [1,1,0,0,0,0|2,0,0]=4 4622 B11R0.176 C=CCC(=O)NCCCC(C)C 11a_200000737386_100000210193 [1,1,0,0,0,0|1,0,0]=3 4623 B11R0.176 C=CCC(=O)NCCCC(C)C 1626a_200000737386_100000210193 [1,1,0,0,0,0|1,0,0]=3 4624 B11R0.176 C=CCC(=O)NCCCC(C)C 240690a_200000737386_100000210193 [1,1,0,0,0,0|1,0,0]=3 4625 B11R0.176 C=CCC(=O)NCCCC(C)C 527a_200000737386_100000210193 [1,1,0,0,0,0|1,0,0]=3 4626 B11R0.176 C=CCC(=O)NCCCN(C)C 240690a_102531767803_100000210193 [1,1,0,0,0,0|2,0,0]=4 4627 B11R0.176 C=CCC(=O)NCCCN(C)C 527a_102531767803_100000210193 [1,1,0,0,0,0|2,0,0]=4 4628 B11R0.176 C=CCC(=O)NCCCS(=O)C 11a_200000753449_100000210193 [1,1,0,0,0,0|2,0,0]=4 4629 B11R0.176 C=CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210193 [1,1,0,0,0,0|2,0,0]=4 4630 B11R0.176 C=CCC(=O)NCCCS(=O)C 527a_200000753449_100000210193 [1,1,0,0,0,0|2,0,0]=4 4631 B11R0.176 C=CCC(=O)NCCOC(C)C 11a_100000701111_100000210193 [1,1,0,0,0,0|2,0,0]=4 4632 B11R0.176 C=CCC(=O)NCCOC(C)C 1626a_100000701111_100000210193 [1,1,0,0,0,0|2,0,0]=4 4633 B11R0.176 C=CCC(=O)NCCOC(C)C 240690a_100000701111_100000210193 [1,1,0,0,0,0|2,0,0]=4 4634 B11R0.176 C=CCC(=O)NCCOC(C)C 527a_100000701111_100000210193 [1,1,0,0,0,0|2,0,0]=4 4635 B11R0.176 C=CCC(=O)NCCSC(C)C 11a_100000731138_100000210193 [1,1,0,0,0,0|2,0,0]=4 4636 B11R0.176 C=CCC(=O)NCCSC(C)C 1626a_100000731138_100000210193 [1,1,0,0,0,0|2,0,0]=4 4637 B11R0.176 C=CCC(=O)NCCSC(C)C 240690a_100000731138_100000210193 [1,1,0,0,0,0|2,0,0]=4 4638 B11R0.176 C=CCC(=O)NCCSC(C)C 527a_100000731138_100000210193 [1,1,0,0,0,0|2,0,0]=4 4639 B11R0.176 C=CCN(C)CCCCC(C)C 2230a_100000225617_100011216152 [1,1,0,0,0,0|2,0,0]=4 4640 B11R0.176 C=CCN(C)CCCCC(C)C 269982a_100000225617_100011216152 [1,1,0,0,0,0|2,0,0]=4 4641 B11R0.176 C=COC(=O)CNCCC(C)O 2230a_200000755665_100000036128 [1,1,0,0,0,0|1,0,0]=3 4642 B11R0.176 C=COC(=O)COCCC(=C)C 34a_100000764851_100000036128 [1,1,0,0,0,0|1,0,1]=4 4643 B11R0.176 C=COC(=O)COCCC(=O)C 34a_100000759926_100000036128 [1,1,0,0,0,0|1,0,1]=4 4644 B11R0.176 C=COC(=O)COCCC(C)Br 34a_100009893172_100000036128 [1,1,0,0,0,0|1,0,0]=3 4645 B11R0.176 C=COC(=O)COCCC(C)C 34a_100000210254_100000036128 [1,1,0,0,0,0|1,0,0]=3 4646 B11R0.176 C=COC(=O)COCCC(F)F 34a_100103093639_100000036128 [1,1,0,0,0,0|2,0,0]=4 4647 B11R0.176 C=COC(=O)COCC[C@@H](C)N 34a_100000706166_100000036128 [1,1,0,0,0,0|1,0,0]=3 4648 B11R0.176 C=COC(=O)CSCCC(=C)C 62a_100000036128_100000730704 [1,1,0,0,0,0|1,0,1]=4 4649 B11R0.176 C=COC(=O)CSCCC(=C)C 62a_100000730704_100000036128 [1,1,0,0,0,0|1,0,1]=4 4650 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000036128_100000053229 [1,1,0,0,0,0|1,0,1]=4 4651 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000053229_100000036128 [1,1,0,0,0,0|1,0,1]=4 4652 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000036128_100000210312 [1,1,0,0,0,0|1,0,0]=3 4653 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000210312_100000036128 [1,1,0,0,0,0|1,0,0]=3 4654 B11R0.176 C=COC(=O)CSCCC(C)O 62a_100000036128_100012276601 [1,1,0,0,0,0|1,0,0]=3 4655 B11R0.176 C=COC(=O)CSCCC(C)O 62a_100012276601_100000036128 [1,1,0,0,0,0|1,0,0]=3 4656 B11R0.176 C=COC(=O)CSCCN(C)C 62a_100000036128_100000755713 [1,1,0,0,0,0|2,0,0]=4 4657 B11R0.176 C=COC(=O)CSCOC(C)C 62a_100000036128_100000709892 [1,1,0,0,0,0|2,0,0]=4 4658 B11R0.176 C=COC(=O)CSCOC(C)C 62a_100000709892_100000036128 [1,1,0,0,0,0|2,0,0]=4 4659 B11R0.176 CC(C)CCCCC(=O)C=CBr 1458a_100016273825_100011216152 [1,1,0,0,0,0|1,0,1]=4 4660 B11R0.176 CC(C)CCCCC(=O)C=CCl 1458a_200016279998_100011216152 [1,1,0,0,0,0|1,0,1]=4 4661 B11R0.176 CC(C)CCCCC(=O)C=CI 1458a_100016256311_100011216152 [1,1,0,0,0,0|1,0,1]=4 4662 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100011933920_100011214920 [1,1,0,0,0,0|1,0,1]=4 4663 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100051588842_100011216152 [1,1,0,0,0,0|1,0,1]=4 4664 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [1,1,0,0,0,0|1,0,1]=4 4665 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [1,1,0,0,0,0|1,0,1]=4 4666 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [1,1,0,0,0,0|1,0,1]=4 4667 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [1,1,0,0,0,0|0,0,2]=4 4668 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [1,1,0,0,0,0|0,0,2]=4 4669 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [1,1,0,0,0,0|0,0,2]=4 4670 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [1,1,0,0,0,0|1,0,1]=4 4671 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [1,1,0,0,0,0|1,0,1]=4 4672 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [1,1,0,0,0,0|1,0,1]=4 4673 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [1,1,0,0,0,0|0,0,2]=4 4674 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [1,1,0,0,0,0|0,0,2]=4 4675 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [1,1,0,0,0,0|0,0,2]=4 4676 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [1,1,0,0,0,0|1,0,1]=4 4677 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [1,1,0,0,0,0|1,0,1]=4 4678 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [1,1,0,0,0,0|1,0,1]=4 4679 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [1,1,0,0,0,0|1,0,1]=4 4680 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [1,1,0,0,0,0|1,0,1]=4 4681 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [1,1,0,0,0,0|1,0,1]=4 4682 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [1,1,0,0,0,0|1,0,1]=4 4683 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [1,1,0,0,0,0|1,0,1]=4 4684 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [1,1,0,0,0,0|1,0,1]=4 4685 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [1,1,0,0,0,0|1,0,1]=4 4686 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [1,1,0,0,0,0|1,0,1]=4 4687 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [1,1,0,0,0,0|1,0,1]=4 4688 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [1,1,0,0,0,0|1,0,1]=4 4689 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [1,1,0,0,0,0|1,0,1]=4 4690 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [1,1,0,0,0,0|1,0,1]=4 4691 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [1,1,0,0,0,0|1,0,1]=4 4692 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [1,1,0,0,0,0|1,0,1]=4 4693 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [1,1,0,0,0,0|1,0,1]=4 4694 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [1,1,0,0,0,0|1,0,1]=4 4695 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [1,1,0,0,0,0|1,0,1]=4 4696 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [1,1,0,0,0,0|1,0,1]=4 4697 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [1,1,0,0,0,0|1,0,1]=4 4698 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [1,1,0,0,0,0|1,0,1]=4 4699 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [1,1,0,0,0,0|1,0,1]=4 4700 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [1,1,0,0,0,0|1,0,1]=4 4701 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [1,1,0,0,0,0|1,0,1]=4 4702 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [1,1,0,0,0,0|1,0,1]=4 4703 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [1,1,0,0,0,0|1,0,1]=4 4704 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [1,1,0,0,0,0|1,0,1]=4 4705 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [1,1,0,0,0,0|1,0,1]=4 4706 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [1,1,0,0,0,0|1,0,1]=4 4707 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [1,1,0,0,0,0|1,0,1]=4 4708 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [1,1,0,0,0,0|1,0,1]=4 4709 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [1,1,0,0,0,0|1,0,1]=4 4710 B11R0.304 C=CCS(=O)(=O)NCCCCC 270084a_100000209983_100000751117 [1,1,0,0,0,0|2,0,0]=4 4711 B11R0.304 C=CCS(=O)(=O)NCCCCC 274078a_100000209983_100000751117 [1,1,0,0,0,0|2,0,0]=4 4712 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [1,1,0,0,0,0|0,0,2]=4 4713 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [1,1,0,0,0,0|0,0,2]=4 4714 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [1,1,0,0,0,0|0,0,2]=4 4715 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,1,0,0,0,0|2,0,0]=4 4716 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [1,1,0,0,0,0|1,0,1]=4 4717 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [1,1,0,0,0,0|1,0,1]=4 4718 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,1,0,0,0,0|0,0,1]=3 4719 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,1,0,0,0,0|0,0,1]=3 4720 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,1,0,0,0,0|0,0,1]=3 4721 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [1,1,0,0,0,0|1,0,1]=4 4722 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [1,1,0,0,0,0|1,0,1]=4 4723 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [1,1,0,0,0,0|1,0,1]=4 4724 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [1,1,0,0,0,0|1,0,1]=4 4725 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [1,1,0,0,0,0|1,0,1]=4 4726 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [1,1,0,0,0,0|1,0,1]=4 4727 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [1,1,0,0,0,0|1,0,1]=4 4728 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [1,1,0,0,0,0|1,0,1]=4 4729 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [1,1,0,0,0,0|1,0,1]=4 4730 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [1,1,0,0,0,0|1,0,1]=4 4731 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [1,1,0,0,0,0|1,0,1]=4 4732 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [1,1,0,0,0,0|1,0,1]=4 4733 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [1,1,0,0,0,0|1,0,1]=4 4734 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,1,0,0,0,0|0,1,1]=4 4735 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,1,0,0,0,0|0,1,1]=4 4736 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [1,1,0,0,0,0|2,0,0]=4 4737 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,1,0,0,0,0|1,0,1]=4 4738 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,1,0,0,0,0|1,0,1]=4 4739 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,1,0,0,0,0|1,0,1]=4 4740 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,1,0,0,0,0|1,0,1]=4 4741 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,1,0,0,0,0|1,0,1]=4 4742 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,1,0,0,0,0|1,0,1]=4 4743 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,1,0,0,0,0|1,0,1]=4 4744 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,1,0,0,0,0|1,0,1]=4 4745 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,1,0,0,0,0|1,0,1]=4 4746 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,1,0,0,0,0|1,0,1]=4 4747 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,1,0,0,0,0|1,0,1]=4 4748 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,1,0,0,0,0|1,0,1]=4 4749 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,1,0,0,0,0|1,0,1]=4 4750 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,1,0,0,0,0|1,0,1]=4 4751 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,1,0,0,0,0|1,0,1]=4 4752 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,1,0,0,0,0|1,0,1]=4 4753 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,1,0,0,0,0|1,0,1]=4 4754 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,1,0,0,0,0|1,0,1]=4 4755 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [1,1,0,0,0,0|0,0,2]=4 4756 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [1,1,0,0,0,0|0,0,2]=4 4757 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [1,1,0,0,0,0|0,0,2]=4 4758 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,1,0,0,0,0|1,0,1]=4 4759 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,1,0,0,0,0|1,0,1]=4 4760 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,1,0,0,0,0|1,0,1]=4 4761 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,1,0,0,0,0|1,0,1]=4 4762 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,1,0,0,0,0|1,0,1]=4 4763 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,1,0,0,0,0|1,0,1]=4 4764 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,1,0,0,0,0|1,0,1]=4 4765 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,1,0,0,0,0|1,0,1]=4 4766 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,1,0,0,0,0|1,0,1]=4 4767 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,1,0,0,0,0|1,0,1]=4 4768 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,1,0,0,0,0|1,0,1]=4 4769 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,1,0,0,0,0|1,0,1]=4 4770 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,1,0,0,0,0|1,0,1]=4 4771 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,1,0,0,0,0|1,0,1]=4 4772 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,1,0,0,0,0|1,0,1]=4 4773 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,1,0,0,0,0|1,0,1]=4 4774 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,1,0,0,0,0|1,0,1]=4 4775 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,1,0,0,0,0|1,0,1]=4 4776 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,1,0,0,0,0|1,0,1]=4 4777 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,1,0,0,0,0|1,0,1]=4 4778 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,1,0,0,0,0|1,0,1]=4 4779 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,1,0,0,0,0|1,0,1]=4 4780 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,1,0,0,0,0|1,0,1]=4 4781 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,1,0,0,0,0|1,0,1]=4 4782 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,1,0,0,0,0|1,0,1]=4 4783 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,1,0,0,0,0|1,0,1]=4 4784 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,1,0,0,0,0|1,0,1]=4 4785 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,1,0,0,0,0|1,0,1]=4 4786 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,1,0,0,0,0|1,0,1]=4 4787 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,1,0,0,0,0|1,0,1]=4 4788 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,1,0,0,0,0|1,0,1]=4 4789 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,1,0,0,0,0|1,0,1]=4 4790 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,1,0,0,0,0|1,0,1]=4 4791 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,1,0,0,0,0|2,0,0]=4 4792 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,1,0,0,0,0|2,0,0]=4 4793 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,1,0,0,0,0|2,0,0]=4 4794 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,1,0,0,0,0|2,0,0]=4 4795 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,1,0,0,0,0|2,0,0]=4 4796 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,1,0,0,0,0|2,0,0]=4 4797 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [1,1,0,0,0,0|2,0,0]=4 4798 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [1,1,0,0,0,0|2,0,0]=4 4799 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [1,1,0,0,0,0|2,0,0]=4 4800 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [1,1,0,0,0,0|2,0,0]=4 4801 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,1,0,0,0,0|1,0,1]=4 4802 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,1,0,0,0,0|1,0,1]=4 4803 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,1,0,0,0,0|0,0,1]=3 4804 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,1,0,0,0,0|0,0,1]=3 4805 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,1,0,0,0,0|0,0,1]=3 4806 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,1,0,0,0,0|1,0,1]=4 4807 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,1,0,0,0,0|1,0,1]=4 4808 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,1,0,0,0,0|1,0,1]=4 4809 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,1,0,0,0,0|1,0,1]=4 4810 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,1,0,0,0,0|1,0,1]=4 4811 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,1,0,0,0,0|1,0,1]=4 4812 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,1,0,0,0,0|1,0,1]=4 4813 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,1,0,0,0,0|1,0,1]=4 4814 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [1,1,0,0,0,0|1,0,1]=4 4815 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [1,1,0,0,0,0|1,0,1]=4 4816 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [1,1,0,0,0,0|1,0,1]=4 4817 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [1,1,0,0,0,0|1,0,1]=4 4818 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [1,1,0,0,0,0|1,0,1]=4 4819 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,1,0,0,0,0|0,1,1]=4 4820 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,1,0,0,0,0|0,1,1]=4 4821 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,1,0,0,0,0|2,0,0]=4 4822 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,1,0,0,0,0|2,0,0]=4 4823 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,1,0,0,0,0|2,0,0]=4 4824 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,1,0,0,0,0|2,0,0]=4 4825 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [1,1,0,0,0,0|2,0,0]=4 4826 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [1,1,0,0,0,0|2,0,0]=4 4827 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,1,0,0,0,0|1,0,1]=4 4828 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,1,0,0,0,0|1,0,1]=4 4829 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,1,0,0,0,0|1,0,1]=4 4830 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,1,0,0,0,0|1,0,1]=4 4831 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,1,0,0,0,0|1,0,1]=4 4832 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,1,0,0,0,0|1,0,1]=4 4833 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,1,0,0,0,0|1,0,1]=4 4834 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [1,1,0,0,0,0|1,0,1]=4 4835 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [1,1,0,0,0,0|1,0,1]=4 4836 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [1,1,0,0,0,0|0,0,1]=3 4837 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [1,1,0,0,0,0|0,0,1]=3 4838 B11R0.3 C=CCOCC#CCCCCC 34a_200000033628_100015514636 [1,1,0,0,0,0|0,0,2]=4 4839 B11R0.3 C=CCOCC#CCCCCC 34a_200000210373_100009816472 [1,1,0,0,0,0|0,0,2]=4 4840 B11R0.3 C=CCOCC#CCCCCC 7a_200000033628_100015514636 [1,1,0,0,0,0|0,0,2]=4 4841 B11R0.3 C=CCOCC/C=C\CCCC 34a_200016286491_100015514636 [1,1,0,0,0,0|0,0,2]=4 4842 B11R0.3 C=CCOCC/C=C\CCCC 7a_200016286491_100015514636 [1,1,0,0,0,0|0,0,2]=4 4843 B11R0.3 C=CCOCCC#CCCCC 34a_100000037610_100015514636 [1,1,0,0,0,0|0,0,2]=4 4844 B11R0.3 C=CCOCCC#CCCCC 7a_100000037610_100015514636 [1,1,0,0,0,0|0,0,2]=4 4845 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [1,1,0,0,0,0|0,0,2]=4 4846 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [1,1,0,0,0,0|0,0,2]=4 4847 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,1,0,0,0,0|0,0,1]=3 4848 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,1,0,0,0,0|0,0,1]=3 4849 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,1,0,0,0,0|0,0,1]=3 4850 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,1,0,0,0,0|0,0,1]=3 4851 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,1,0,0,0,0|0,0,1]=3 4852 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,1,0,0,0,0|0,0,1]=3 4853 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,1,0,0,0,0|0,0,1]=3 4854 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,1,0,0,0,0|0,0,1]=3 4855 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,1,0,0,0,0|0,0,1]=3 4856 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,1,0,0,0,0|0,0,1]=3 4857 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [1,1,0,0,0,0|0,0,1]=3 4858 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [1,1,0,0,0,0|0,0,1]=3 4859 B11R0.3 C=CCOCCCOCCCN 34a_100011310245_100015514636 [1,1,0,0,0,0|1,0,1]=4 4860 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [1,1,0,0,0,0|1,0,1]=4 4861 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [1,1,0,0,0,0|0,0,1]=3 4862 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [1,1,0,0,0,0|0,0,1]=3 4863 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [1,1,0,0,0,0|0,0,1]=3 4864 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [1,1,0,0,0,0|0,0,1]=3 4865 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [1,1,0,0,0,0|0,0,1]=3 4866 B11R0.3 C=CCOCCOCCCCF 34a_100000037705_100000729493 [1,1,0,0,0,0|1,0,1]=4 4867 B11R0.3 C=CCOCCOCCCCF 7a_100000037705_100000729493 [1,1,0,0,0,0|1,0,1]=4 4868 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [1,1,0,0,0,0|1,0,1]=4 4869 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [1,1,0,0,0,0|1,0,1]=4 4870 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [1,1,0,0,0,0|1,0,1]=4 4871 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [1,1,0,0,0,0|1,0,1]=4 4872 B11R0.3 C=CCOCCOCCOCC 34a_100000037705_100000210147 [1,1,0,0,0,0|1,0,1]=4 4873 B11R0.3 C=CCOCCOCCOCC 34a_100000065479_100000210202 [1,1,0,0,0,0|1,0,1]=4 4874 B11R0.3 C=CCOCCOCCOCC 34a_100000210240_100015514636 [1,1,0,0,0,0|1,0,1]=4 4875 B11R0.3 C=CCOCCOCCOCC 34a_200000210373_100011211534 [1,1,0,0,0,0|1,0,1]=4 4876 B11R0.3 C=CCOCCOCCOCC 7a_100000037705_100011215890 [1,1,0,0,0,0|1,0,1]=4 4877 B11R0.3 C=CCOCCOCCOCC 7a_100000065479_100000210202 [1,1,0,0,0,0|1,0,1]=4 4878 B11R0.3 C=CCOCCOCCOCC 7a_100000210240_100015514636 [1,1,0,0,0,0|1,0,1]=4 4879 B11R0.3 C=CCOCCOCCSCC 34a_100000037705_100000757381 [1,1,0,0,0,0|1,0,1]=4 4880 B11R0.3 C=CCOCCOCCSCC 7a_100000037705_100000757381 [1,1,0,0,0,0|1,0,1]=4 4881 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,1,0,0,0,0|0,1,1]=4 4882 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,1,0,0,0,0|0,1,1]=4 4883 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,1,0,0,0,0|0,1,1]=4 4884 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,1,0,0,0,0|0,1,1]=4 4885 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,1,0,0,0,0|0,1,1]=4 4886 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,1,0,0,0,0|0,1,1]=4 4887 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [1,1,0,0,0,0|2,0,0]=4 4888 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [1,1,0,0,0,0|2,0,0]=4 4889 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [1,1,0,0,0,0|2,0,0]=4 4890 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [1,1,0,0,0,0|2,0,0]=4 4891 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [1,1,0,0,0,0|2,0,0]=4 4892 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [1,1,0,0,0,0|2,0,0]=4 4893 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,1,0,0,0,0|1,0,1]=4 4894 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [1,1,0,0,0,0|1,0,1]=4 4895 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [1,1,0,0,0,0|1,0,1]=4 4896 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,1,0,0,0,0|0,0,1]=3 4897 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,1,0,0,0,0|0,0,1]=3 4898 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [1,1,0,0,0,0|1,0,1]=4 4899 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [1,1,0,0,0,0|1,0,1]=4 4900 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [1,1,0,0,0,0|1,0,1]=4 4901 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [1,1,0,0,0,0|1,0,1]=4 4902 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [1,1,0,0,0,0|1,0,1]=4 4903 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [1,1,0,0,0,0|1,0,1]=4 4904 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [1,1,0,0,0,0|1,0,1]=4 4905 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [1,1,0,0,0,0|1,0,1]=4 4906 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [1,1,0,0,0,0|1,0,1]=4 4907 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [1,1,0,0,0,0|1,0,1]=4 4908 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,1,0,0,0,0|0,1,1]=4 4909 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,1,0,0,0,0|0,1,1]=4 4910 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,1,0,0,0,0|1,0,1]=4 4911 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,1,0,0,0,0|1,0,1]=4 4912 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|1,0,1]=4 4913 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|1,0,1]=4 4914 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,1,0,0,0,0|1,0,1]=4 4915 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,1,0,0,0,0|1,0,1]=4 4916 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,1,0,0,0,0|1,0,1]=4 4917 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,1,0,0,0,0|1,0,1]=4 4918 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,1,0,0,0,0|1,0,1]=4 4919 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,1,0,0,0,0|1,0,1]=4 4920 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,1,0,0,0,0|1,0,1]=4 4921 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,1]=4 4922 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,1,0,0,0,0|1,0,1]=4 4923 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,1,0,0,0,0|1,0,1]=4 4924 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [1,1,0,0,0,0|2,0,0]=4 4925 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [1,1,0,0,0,0|2,0,0]=4 4926 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [1,1,0,0,0,0|0,0,1]=3 4927 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [1,1,0,0,0,0|1,0,1]=4 4928 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [1,1,0,0,0,0|1,0,1]=4 4929 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [1,1,0,0,0,0|1,0,1]=4 4930 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [1,1,0,0,0,0|0,1,1]=4 4931 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [1,1,0,0,0,0|2,0,0]=4 4932 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [1,1,0,0,0,0|2,0,0]=4 4933 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [1,1,0,0,0,0|2,0,0]=4 4934 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [1,1,0,0,0,0|2,0,0]=4 4935 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [1,1,0,0,0,0|2,0,0]=4 4936 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [1,1,0,0,0,0|2,0,0]=4 4937 B11R0.40 C=CCOCCOCC(C)CC 34a_100000037705_100000748023 [1,1,0,0,0,0|1,0,1]=4 4938 B11R0.40 C=CCOCCOCC(C)CC 7a_100000037705_100000748023 [1,1,0,0,0,0|1,0,1]=4 4939 B11R0.40 C=CCOCCOCC(O)CC 34a_100000037705_100011218378 [1,1,0,0,0,0|1,0,1]=4 4940 B11R0.40 C=CCOCCOCC(O)CC 7a_100000037705_100011218378 [1,1,0,0,0,0|1,0,1]=4 4941 B11R0.40 C=CCOCCOC[C@@H](C)CC 34a_100000037705_100009816398 [1,1,0,0,0,0|1,0,1]=4 4942 B11R0.40 C=CCOCCOC[C@@H](C)CC 7a_100000037705_100009816398 [1,1,0,0,0,0|1,0,1]=4 4943 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [1,1,0,0,0,0|2,0,0]=4 4944 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [1,1,0,0,0,0|2,0,0]=4 4945 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [1,1,0,0,0,0|2,0,0]=4 4946 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [1,1,0,0,0,0|2,0,0]=4 4947 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [1,1,0,0,0,0|2,0,0]=4 4948 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [1,1,0,0,0,0|2,0,0]=4 4949 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [1,1,0,0,0,0|2,0,0]=4 4950 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [1,1,0,0,0,0|2,0,0]=4 4951 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [1,1,0,0,0,0|2,0,0]=4 4952 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [1,1,0,0,0,0|0,0,2]=4 4953 B11R0.140 C=CCOC[C@@H](N)CCCCN 34a_100016993712_100015514636 [1,1,0,0,0,0|1,0,1]=4 4954 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [1,1,0,0,0,0|2,0,0]=4 4955 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,1,0,0,0,0|2,0,0]=4 4956 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|2,0,0]=4 4957 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|2,0,0]=4 4958 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|2,0,0]=4 4959 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,1,0,0,0,0|2,0,0]=4 4960 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,1,0,0,0,0|2,0,0]=4 4961 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,1,0,0,0,0|1,0,1]=4 4962 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [1,1,0,0,0,0|1,0,1]=4 4963 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [1,1,0,0,0,0|1,0,1]=4 4964 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,1,0,0,0,0|0,0,1]=3 4965 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,1,0,0,0,0|0,0,1]=3 4966 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,1,0,0,0,0|0,0,1]=3 4967 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [1,1,0,0,0,0|1,0,1]=4 4968 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [1,1,0,0,0,0|1,0,1]=4 4969 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [1,1,0,0,0,0|1,0,1]=4 4970 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [1,1,0,0,0,0|1,0,1]=4 4971 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [1,1,0,0,0,0|1,0,1]=4 4972 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [1,1,0,0,0,0|1,0,1]=4 4973 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [1,1,0,0,0,0|1,0,1]=4 4974 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [1,1,0,0,0,0|1,0,1]=4 4975 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [1,1,0,0,0,0|1,0,1]=4 4976 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [1,1,0,0,0,0|1,0,1]=4 4977 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [1,1,0,0,0,0|1,0,1]=4 4978 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [1,1,0,0,0,0|1,0,1]=4 4979 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [1,1,0,0,0,0|1,0,1]=4 4980 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,1,0,0,0,0|0,1,1]=4 4981 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,1,0,0,0,0|0,1,1]=4 4982 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [1,1,0,0,0,0|1,0,1]=4 4983 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [1,1,0,0,0,0|1,0,1]=4 4984 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [1,1,0,0,0,0|1,0,1]=4 4985 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [1,1,0,0,0,0|0,0,1]=3 4986 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [1,1,0,0,0,0|0,0,1]=3 4987 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [1,1,0,0,0,0|0,0,1]=3 4988 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [1,1,0,0,0,0|1,0,1]=4 4989 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [1,1,0,0,0,0|1,0,1]=4 4990 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [1,1,0,0,0,0|1,0,1]=4 4991 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [1,1,0,0,0,0|1,0,1]=4 4992 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [1,1,0,0,0,0|1,0,1]=4 4993 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [1,1,0,0,0,0|1,0,1]=4 4994 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [1,1,0,0,0,0|1,0,1]=4 4995 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [1,1,0,0,0,0|1,0,1]=4 4996 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [1,1,0,0,0,0|1,0,1]=4 4997 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [1,1,0,0,0,0|1,0,1]=4 4998 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [1,1,0,0,0,0|1,0,1]=4 4999 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [1,1,0,0,0,0|1,0,1]=4 5000 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [1,1,0,0,0,0|1,0,1]=4 5001 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [1,1,0,0,0,0|0,1,1]=4 5002 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [1,1,0,0,0,0|0,1,1]=4 5003 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [1,1,0,0,0,0|2,0,0]=4 5004 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [1,1,0,0,0,0|2,0,0]=4 5005 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [1,1,0,0,0,0|2,0,0]=4 5006 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [1,1,0,0,0,0|2,0,0]=4 5007 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [1,1,0,0,0,0|2,0,0]=4 5008 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [1,1,0,0,0,0|2,0,0]=4 5009 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [1,1,0,0,0,0|1,0,1]=4 5010 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [1,1,0,0,0,0|1,0,1]=4 5011 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [1,1,0,0,0,0|1,0,1]=4 5012 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [1,1,0,0,0,0|0,0,1]=3 5013 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [1,1,0,0,0,0|0,0,1]=3 5014 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [1,1,0,0,0,0|0,0,1]=3 5015 B11R0.148 C=CCOCCCCNC(C)C 34a_100011521146_100015514636 [1,1,0,0,0,0|1,0,1]=4 5016 B11R0.148 C=CCOCCOCCC(C)C 34a_100000037705_100000210312 [1,1,0,0,0,0|1,0,1]=4 5017 B11R0.148 C=CCOCCOCCC(C)C 7a_100000037705_100000210626 [1,1,0,0,0,0|1,0,1]=4 5018 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [1,1,0,0,0,0|1,0,1]=4 5019 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [1,1,0,0,0,0|1,0,1]=4 5020 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [1,1,0,0,0,0|0,1,1]=4 5021 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [1,1,0,0,0,0|0,1,1]=4 5022 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [1,1,0,0,0,0|1,0,1]=4 5023 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [1,1,0,0,0,0|1,0,1]=4 5024 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,1,0,0,0,0|1,0,1]=4 5025 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,1,0,0,0,0|1,0,1]=4 5026 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|0,0,2]=4 5027 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,1,0,0,0,0|1,0,1]=4 5028 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,1,0,0,0,0|1,0,1]=4 5029 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,1,0,0,0,0|1,0,1]=4 5030 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,1,0,0,0,0|2,0,0]=4 5031 B11R0.11 C=CC=CC(=O)C(C)CCCC 1458a_100016291481_200011215066 [1,1,0,0,0,0|1,0,1]=4 5032 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [1,1,0,0,0,0|1,0,0]=3 5033 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [1,1,0,0,0,0|1,0,0]=3 5034 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [1,1,0,0,0,0|1,0,0]=3 5035 B11R0.11 C=CCCC(=O)C(O)CCSC 1458a_100000685904_100000754431 [1,1,0,0,0,0|2,0,0]=4 5036 B11R0.11 C=CCCC(=O)N(C)CCCC 11a_100000207549_100000749702 [1,1,0,0,0,0|2,0,0]=4 5037 B11R0.11 C=CCCC(=O)N(C)CCCC 1626a_100000207549_100000749702 [1,1,0,0,0,0|2,0,0]=4 5038 B11R0.11 C=CCCC(=O)N(C)CCCC 240690a_100000207549_100000749702 [1,1,0,0,0,0|2,0,0]=4 5039 B11R0.11 C=CCCC(=O)N(C)CCCC 527a_100000207549_100000749702 [1,1,0,0,0,0|2,0,0]=4 5040 B11R0.11 C=CCNC(=O)C(C)CCCC 1626a_100020586998_100000725509 [1,1,0,0,0,0|1,0,0]=3 5041 B11R0.11 C=CCNC(=O)C(C)CCCC 240690a_100020586998_100000725509 [1,1,0,0,0,0|1,0,0]=3 5042 B11R0.11 C=CCNC(=O)C(C)CCCC 527a_100020586998_100000725509 [1,1,0,0,0,0|1,0,0]=3 5043 B11R0.11 C=CCNC(=O)C(C)SCCC 62a_100000210303_100000230288 [1,1,0,0,0,0|2,0,0]=4 5044 B11R0.11 C=CCNC(=O)C(C)SCCC 62a_100000230288_100000210303 [1,1,0,0,0,0|2,0,0]=4 5045 B11R0.11 C=CCNC(=O)C(O)CCCC 240690a_100020586998_100000720857 [1,1,0,0,0,0|1,0,0]=3 5046 B11R0.11 C=CCNC(=O)C(O)CCCC 527a_100020586998_100000720857 [1,1,0,0,0,0|1,0,0]=3 5047 B11R0.11 C=CCNC(=O)C(O)CCSC 240690a_100020586998_100000685904 [1,1,0,0,0,0|2,0,0]=4 5048 B11R0.11 C=CCNC(=O)N(C)CCCC 273464a_100020586998_100000207549 [1,1,0,0,0,0|2,0,0]=4 5049 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [1,1,0,0,0,0|1,0,0]=3 5050 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [1,1,0,0,0,0|1,0,0]=3 5051 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [1,1,0,0,0,0|2,0,0]=4 5052 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [1,1,0,0,0,0|2,0,0]=4 5053 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [1,1,0,0,0,0|2,0,0]=4 5054 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [1,1,0,0,0,0|2,0,0]=4 5055 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [1,1,0,0,0,0|2,0,0]=4 5056 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [1,1,0,0,0,0|2,0,0]=4 5057 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [1,1,0,0,0,0|2,0,0]=4 5058 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [1,1,0,0,0,0|2,0,0]=4 5059 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [1,1,0,0,0,0|2,0,0]=4 5060 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [1,1,0,0,0,0|2,0,0]=4 5061 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [1,1,0,0,0,0|2,0,0]=4 5062 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [1,1,0,0,0,0|2,0,0]=4 5063 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [1,1,0,0,0,0|2,0,0]=4 5064 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [1,1,0,0,0,0|2,0,0]=4 5065 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [1,1,0,0,0,0|2,0,0]=4 5066 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [1,1,0,0,0,0|2,0,0]=4 5067 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [1,1,0,0,0,0|1,0,0]=3 5068 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [1,1,0,0,0,0|1,0,0]=3 5069 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [1,1,0,0,0,0|1,0,0]=3 5070 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [1,1,0,0,0,0|1,0,0]=3 5071 B11R0.46 C=C(C)CNC(=O)CCCCO 1626a_100000765925_100000695505 [1,1,0,0,0,0|2,0,0]=4 5072 B11R0.46 C=C(C)CNC(=O)CCCOC 11a_100000765925_100000741012 [1,1,0,0,0,0|2,0,0]=4 5073 B11R0.46 C=C(C)CNC(=O)CCCOC 1626a_100000765925_100000741012 [1,1,0,0,0,0|2,0,0]=4 5074 B11R0.46 C=C(C)CNC(=O)CCCOC 240690a_100000765925_100000741012 [1,1,0,0,0,0|2,0,0]=4 5075 B11R0.46 C=C(C)CNC(=O)CCCOC 527a_100000765925_100000741012 [1,1,0,0,0,0|2,0,0]=4 5076 B11R0.46 C=C(C)CNC(=O)CCCSC 11a_100000765925_100000173376 [1,1,0,0,0,0|2,0,0]=4 5077 B11R0.46 C=C(C)CNC(=O)CCCSC 1626a_100000765925_100000173376 [1,1,0,0,0,0|2,0,0]=4 5078 B11R0.46 C=C(C)CNC(=O)CCCSC 240690a_100000765925_100000173376 [1,1,0,0,0,0|2,0,0]=4 5079 B11R0.46 C=C(C)CNC(=O)CCCSC 527a_100000765925_100000173376 [1,1,0,0,0,0|2,0,0]=4 5080 B11R0.46 C=C(C)CNC(=O)CCOCC 11a_100000765925_100000749530 [1,1,0,0,0,0|2,0,0]=4 5081 B11R0.46 C=C(C)CNC(=O)CCOCC 1626a_100000765925_100000749530 [1,1,0,0,0,0|2,0,0]=4 5082 B11R0.46 C=C(C)CNC(=O)CCOCC 240690a_100000765925_100000749530 [1,1,0,0,0,0|2,0,0]=4 5083 B11R0.46 C=C(C)CNC(=O)CCOCC 527a_100000765925_100000749530 [1,1,0,0,0,0|2,0,0]=4 5084 B11R0.46 C=C(C)CNC(=O)CCSCC 11a_100000765925_100000230768 [1,1,0,0,0,0|2,0,0]=4 5085 B11R0.46 C=C(C)CNC(=O)CCSCC 1626a_100000765925_100000230768 [1,1,0,0,0,0|2,0,0]=4 5086 B11R0.46 C=C(C)CNC(=O)CCSCC 240690a_100000765925_100000230768 [1,1,0,0,0,0|2,0,0]=4 5087 B11R0.46 C=C(C)CNC(=O)CCSCC 527a_100000765925_100000230768 [1,1,0,0,0,0|2,0,0]=4 5088 B11R0.46 C=C(C)CNC(=O)COCCC 11a_100000765925_100000745993 [1,1,0,0,0,0|2,0,0]=4 5089 B11R0.46 C=C(C)CNC(=O)COCCC 1626a_100000765925_100000745993 [1,1,0,0,0,0|2,0,0]=4 5090 B11R0.46 C=C(C)CNC(=O)COCCC 240690a_100000765925_100000745993 [1,1,0,0,0,0|2,0,0]=4 5091 B11R0.46 C=C(C)CNC(=O)COCCC 527a_100000765925_100000745993 [1,1,0,0,0,0|2,0,0]=4 5092 B11R0.46 C=C(C)CNC(=O)CSCCC 11a_100000765925_100000217233 [1,1,0,0,0,0|2,0,0]=4 5093 B11R0.46 C=C(C)CNC(=O)CSCCC 1626a_100000765925_100000217233 [1,1,0,0,0,0|2,0,0]=4 5094 B11R0.46 C=C(C)CNC(=O)CSCCC 240690a_100000765925_100000217233 [1,1,0,0,0,0|2,0,0]=4 5095 B11R0.46 C=C(C)CNC(=O)CSCCC 527a_100000765925_100000217233 [1,1,0,0,0,0|2,0,0]=4 5096 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000102301_100000765925 [1,1,0,0,0,0|2,0,0]=4 5097 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000765925_100000102301 [1,1,0,0,0,0|2,0,0]=4 5098 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000102301_100000765925 [1,1,0,0,0,0|2,0,0]=4 5099 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000765925_100000102301 [1,1,0,0,0,0|2,0,0]=4 5100 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000102301_100000765925 [1,1,0,0,0,0|2,0,0]=4 5101 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000765925_100000102301 [1,1,0,0,0,0|2,0,0]=4 5102 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [1,1,0,0,0,0|1,0,1]=4 5103 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [1,1,0,0,0,0|1,0,1]=4 5104 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [1,1,0,0,0,0|1,0,1]=4 5105 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [1,1,0,0,0,0|1,0,1]=4 5106 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [1,1,0,0,0,0|1,0,1]=4 5107 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [1,1,0,0,0,0|1,0,1]=4 5108 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,1,0,0,0,0|2,0,0]=4 5109 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [1,1,0,0,0,0|2,0,0]=4 5110 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [1,1,0,0,0,0|2,0,0]=4 5111 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [1,1,0,0,0,0|2,0,0]=4 5112 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [1,1,0,0,0,0|1,0,0]=3 5113 B11R0.70 C=CCCC(=O)CCN(C)CC 1458a_100000755305_100000754431 [1,1,0,0,0,0|2,0,0]=4 5114 B11R0.70 C=CCCC(=O)CCS(=O)CC 1458a_100011387550_100000754431 [1,1,0,0,0,0|2,0,0]=4 5115 B11R0.70 C=CCCC(=O)NCC(C)CC 11a_100020588543_100000749702 [1,1,0,0,0,0|2,0,0]=4 5116 B11R0.70 C=CCCC(=O)NCC(C)CC 1626a_100020588543_100000749702 [1,1,0,0,0,0|2,0,0]=4 5117 B11R0.70 C=CCCC(=O)NCC(C)CC 240690a_100020588543_100000749702 [1,1,0,0,0,0|2,0,0]=4 5118 B11R0.70 C=CCCC(=O)NCC(C)CC 527a_100020588543_100000749702 [1,1,0,0,0,0|2,0,0]=4 5119 B11R0.70 C=CCCC(=O)NCC(O)CC 11a_100011218483_100000749702 [1,1,0,0,0,0|2,0,0]=4 5120 B11R0.70 C=CCCC(=O)NCC(O)CC 240690a_100011218483_100000749702 [1,1,0,0,0,0|2,0,0]=4 5121 B11R0.70 C=CCCC(=O)NCC(O)CC 527a_100011218483_100000749702 [1,1,0,0,0,0|2,0,0]=4 5122 B11R0.70 C=CCNC(=O)CCC(C)CC 1626a_100020586998_100000701222 [1,1,0,0,0,0|1,0,0]=3 5123 B11R0.70 C=CCNC(=O)CCC(C)CC 240690a_100020586998_100000701222 [1,1,0,0,0,0|1,0,0]=3 5124 B11R0.70 C=CCNC(=O)CCC(C)CC 527a_100020586998_100000701222 [1,1,0,0,0,0|1,0,0]=3 5125 B11R0.70 C=CCNC(=O)CCC(O)CC 1626a_100020586998_203496584001 [1,1,0,0,0,0|1,0,0]=3 5126 B11R0.70 C=CCNC(=O)CCC(O)CC 240690a_100020586998_203496584001 [1,1,0,0,0,0|1,0,0]=3 5127 B11R0.70 C=CCNC(=O)CCN(C)CC 2230a_100000225621_100011222895 [1,1,0,0,0,0|2,0,0]=4 5128 B11R0.70 C=CCNC(=O)CCN(C)CC 240690a_100020586998_100000755305 [1,1,0,0,0,0|2,0,0]=4 5129 B11R0.70 C=CCNC(=O)CCN(C)CC 269982a_100000225621_100011222895 [1,1,0,0,0,0|2,0,0]=4 5130 B11R0.70 C=CCNC(=O)CCS(=O)CC 1626a_100020586998_100011387550 [1,1,0,0,0,0|2,0,0]=4 5131 B11R0.70 C=CCNC(=O)CCS(=O)CC 240690a_100020586998_100011387550 [1,1,0,0,0,0|2,0,0]=4 5132 B11R0.70 C=CCNC(=O)CCS(=O)CC 527a_100020586998_100011387550 [1,1,0,0,0,0|2,0,0]=4 5133 B11R0.70 C=CCNC(=O)CNC(C)CC 2230a_100000209981_100000183597 [1,1,0,0,0,0|2,0,0]=4 5134 B11R0.70 C=CCNC(=O)COC(C)CC 7a_100000210228_100000183597 [1,1,0,0,0,0|2,0,0]=4 5135 B11R0.70 C=CCNC(=O)CSC(C)CC 62a_100000183597_100000758301 [1,1,0,0,0,0|2,0,0]=4 5136 B11R0.70 C=CCNC(=O)CSC(C)CC 62a_100000758301_100000183597 [1,1,0,0,0,0|2,0,0]=4 5137 B11R0.70 C=CCNC(=O)NCC(C)CC 2708a_100020588543_100020586998 [1,1,0,0,0,0|2,0,0]=4 5138 B11R0.70 C=CCNC(=O)NCC(C)CC 273464a_100020586998_100020588543 [1,1,0,0,0,0|2,0,0]=4 5139 B11R0.70 C=CCNC(=O)NCC(C)CC 273464a_100020588543_100020586998 [1,1,0,0,0,0|2,0,0]=4 5140 B11R0.70 C=CCNC(=O)NCC(C)CC 512a_100020586998_100020588543 [1,1,0,0,0,0|2,0,0]=4 5141 B11R0.70 C=CCNC(=O)NCC(C)CC 512a_100020588543_100020586998 [1,1,0,0,0,0|2,0,0]=4 5142 B11R0.70 C=CCNC(=O)NCC(O)CC 273464a_100011218483_100020586998 [1,1,0,0,0,0|2,0,0]=4 5143 B11R0.70 C=CCNC(=O)NCC(O)CC 273464a_100020586998_100011218483 [1,1,0,0,0,0|2,0,0]=4 5144 B11R0.70 C=CCNC(=O)NCC(O)CC 512a_100011218483_100020586998 [1,1,0,0,0,0|2,0,0]=4 5145 B11R0.70 C=CCOC(=O)CNC(C)CC 2230a_100000209981_100000033060 [1,1,0,0,0,0|1,0,0]=3 5146 B11R0.70 C=CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000033060 [1,1,0,0,0,0|2,0,0]=4 5147 B11R0.70 C=CCOC(=O)COC(C)CC 7a_100000210228_100000033060 [1,1,0,0,0,0|1,0,0]=3 5148 B11R0.70 C=CCOC(=O)COC(C)CF 34a_100016041109_100000033060 [1,1,0,0,0,0|2,0,0]=4 5149 B11R0.70 C=CCOC(=O)COC(C)CF 7a_100016041109_100000033060 [1,1,0,0,0,0|2,0,0]=4 5150 B11R0.70 C=CCOC(=O)COC(C)CN 34a_100000210904_100000033060 [1,1,0,0,0,0|2,0,0]=4 5151 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000033060_100000758301 [1,1,0,0,0,0|1,0,0]=3 5152 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000758301_100000033060 [1,1,0,0,0,0|1,0,0]=3 5153 B11R0.70 C=CCOC(=O)CSC(C)CO 62a_100012180447_100000033060 [1,1,0,0,0,0|2,0,0]=4 5154 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100000033060_100009879195 [1,1,0,0,0,0|2,0,0]=4 5155 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100009879195_100000033060 [1,1,0,0,0,0|2,0,0]=4 5156 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100000033060_100016084084 [1,1,0,0,0,0|2,0,0]=4 5157 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000033060 [1,1,0,0,0,0|2,0,0]=4 5158 B11R0.70 C=CCOC(=O)NCC(=O)CC 1458a_100000216761_100000210202 [1,1,0,0,0,0|1,0,1]=4 5159 B11R0.70 C=CCOC(C)CCC(C)CC 7a_200011216552_100015514636 [1,1,0,0,0,0|1,0,1]=4 5160 B11R0.147 C=CC=CC(=O)CCCC(C)C 1458a_100016291481_100011214892 [1,1,0,0,0,0|1,0,1]=4 5161 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [1,1,0,0,0,0|1,0,1]=4 5162 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [1,1,0,0,0,0|1,0,1]=4 5163 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [1,1,0,0,0,0|1,0,0]=3 5164 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [1,1,0,0,0,0|1,0,0]=3 5165 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [1,1,0,0,0,0|1,0,0]=3 5166 B11R0.147 C=CCCC(=O)CCCN(C)C 1458a_100000749702_100000695564 [1,1,0,0,0,0|2,0,0]=4 5167 B11R0.147 C=CCCC(=O)CCOC(C)C 1458a_100000749702_100000211751 [1,1,0,0,0,0|2,0,0]=4 5168 B11R0.147 C=CCCC(=O)CCSC(C)C 1458a_100000749702_100000730970 [1,1,0,0,0,0|2,0,0]=4 5169 B11R0.147 C=CCCC(=O)COCC(C)C 1458a_100011223364_100000754431 [1,1,0,0,0,0|2,0,0]=4 5170 B11R0.147 C=CCCC(=O)NCCC(C)C 11a_100000210545_100000749702 [1,1,0,0,0,0|2,0,0]=4 5171 B11R0.147 C=CCCC(=O)NCCC(C)C 1626a_100000210545_100000749702 [1,1,0,0,0,0|2,0,0]=4 5172 B11R0.147 C=CCCC(=O)NCCC(C)C 240690a_100000210545_100000749702 [1,1,0,0,0,0|2,0,0]=4 5173 B11R0.147 C=CCCC(=O)NCCC(C)C 527a_100000210545_100000749702 [1,1,0,0,0,0|2,0,0]=4 5174 B11R0.147 C=CCCC(=O)NCCC(C)O 240690a_200000755665_100000749702 [1,1,0,0,0,0|2,0,0]=4 5175 B11R0.147 C=CCCC(=O)NCCC(C)O 527a_200000755665_100000749702 [1,1,0,0,0,0|2,0,0]=4 5176 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [1,1,0,0,0,0|1,0,0]=3 5177 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [1,1,0,0,0,0|1,0,0]=3 5178 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [1,1,0,0,0,0|1,0,0]=3 5179 B11R0.147 C=CCNC(=O)CCCC(C)O 1626a_100020586998_100000761597 [1,1,0,0,0,0|1,0,0]=3 5180 B11R0.147 C=CCNC(=O)CCCC(C)O 527a_100020586998_100000761597 [1,1,0,0,0,0|1,0,0]=3 5181 B11R0.147 C=CCNC(=O)CCCN(C)C 240690a_100020586998_100000740757 [1,1,0,0,0,0|2,0,0]=4 5182 B11R0.147 C=CCNC(=O)CCNC(C)C 2230a_100138425928_100011222895 [1,1,0,0,0,0|2,0,0]=4 5183 B11R0.147 C=CCNC(=O)CCSC(C)C 62a_100000210206_100011222895 [1,1,0,0,0,0|2,0,0]=4 5184 B11R0.147 C=CCNC(=O)CCSC(C)C 62a_100011222895_100000210206 [1,1,0,0,0,0|2,0,0]=4 5185 B11R0.147 C=CCNC(=O)CNCC(C)C 2230a_100000210953_100000183597 [1,1,0,0,0,0|2,0,0]=4 5186 B11R0.147 C=CCNC(=O)CNCC(C)O 2230a_100000210904_100000183597 [1,1,0,0,0,0|2,0,0]=4 5187 B11R0.147 C=CCNC(=O)COCC(C)C 1626a_100020586998_100011223364 [1,1,0,0,0,0|2,0,0]=4 5188 B11R0.147 C=CCNC(=O)COCC(C)C 240690a_100020586998_100011223364 [1,1,0,0,0,0|2,0,0]=4 5189 B11R0.147 C=CCNC(=O)COCC(C)C 527a_100020586998_100011223364 [1,1,0,0,0,0|2,0,0]=4 5190 B11R0.147 C=CCNC(=O)CSCC(C)C 62a_100000183597_100000210760 [1,1,0,0,0,0|2,0,0]=4 5191 B11R0.147 C=CCNC(=O)CSCC(C)C 62a_100000210624_100000183597 [1,1,0,0,0,0|2,0,0]=4 5192 B11R0.147 C=CCNC(=O)CSCC(C)O 62a_100000183597_100011218427 [1,1,0,0,0,0|2,0,0]=4 5193 B11R0.147 C=CCNC(=O)CSCC(C)O 62a_100011218427_100000183597 [1,1,0,0,0,0|2,0,0]=4 5194 B11R0.147 C=CCNC(=O)CSC[C@@H](C)O 62a_100000183597_100009817552 [1,1,0,0,0,0|2,0,0]=4 5195 B11R0.147 C=CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183597 [1,1,0,0,0,0|2,0,0]=4 5196 B11R0.147 C=CCNC(=O)NCCC(C)C 2708a_100000210545_100020586998 [1,1,0,0,0,0|2,0,0]=4 5197 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100000210545_100020586998 [1,1,0,0,0,0|2,0,0]=4 5198 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100020586998_100000210545 [1,1,0,0,0,0|2,0,0]=4 5199 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100000210545_100020586998 [1,1,0,0,0,0|2,0,0]=4 5200 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100020586998_100000210545 [1,1,0,0,0,0|2,0,0]=4 5201 B11R0.147 C=CCNC(=O)NCCC(C)O 273464a_200000755665_100020586998 [1,1,0,0,0,0|2,0,0]=4 5202 B11R0.147 C=CCNC(=O)NCCC(C)O 512a_100020586998_200000755665 [1,1,0,0,0,0|2,0,0]=4 5203 B11R0.147 C=CCNC(=O)NCCC(C)O 512a_200000755665_100020586998 [1,1,0,0,0,0|2,0,0]=4 5204 B11R0.147 C=CCOC(=O)CNCC(C)C 2230a_100000210953_100000033060 [1,1,0,0,0,0|1,0,0]=3 5205 B11R0.147 C=CCOC(=O)CNCC(C)C 34a_100000210953_100000033060 [1,1,0,0,0,0|1,0,0]=3 5206 B11R0.147 C=CCOC(=O)CNCC(C)O 2230a_100000210904_100000033060 [1,1,0,0,0,0|1,0,0]=3 5207 B11R0.147 C=CCOC(=O)CNCC(C)O 34a_100000210904_100000033060 [1,1,0,0,0,0|1,0,0]=3 5208 B11R0.147 C=CCOC(=O)CNCC(F)F 34a_100000765723_100000033060 [1,1,0,0,0,0|2,0,0]=4 5209 B11R0.147 C=CCOC(=O)COCC(=C)C 34a_100000210245_100000033060 [1,1,0,0,0,0|1,0,1]=4 5210 B11R0.147 C=CCOC(=O)COCC(=O)C 34a_100000211253_100000033060 [1,1,0,0,0,0|1,0,1]=4 5211 B11R0.147 C=CCOC(=O)COCC(C)Br 34a_100012180447_100000033060 [1,1,0,0,0,0|1,0,0]=3 5212 B11R0.147 C=CCOC(=O)COCC(C)C 34a_100000210257_100000033060 [1,1,0,0,0,0|1,0,0]=3 5213 B11R0.147 C=CCOC(=O)COCC(C)F 34a_100015925927_100000033060 [1,1,0,0,0,0|1,0,0]=3 5214 B11R0.147 C=CCOC(=O)COCC(F)F 34a_100000743014_100000033060 [1,1,0,0,0,0|2,0,0]=4 5215 B11R0.147 C=CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000033060 [1,1,0,0,0,0|1,0,0]=3 5216 B11R0.147 C=CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000033060 [1,1,0,0,0,0|1,0,0]=3 5217 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000033060_100000211660 [1,1,0,0,0,0|1,0,1]=4 5218 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000748629_100000033060 [1,1,0,0,0,0|1,0,1]=4 5219 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000033060_100000210760 [1,1,0,0,0,0|1,0,0]=3 5220 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000210624_100000033060 [1,1,0,0,0,0|1,0,0]=3 5221 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100000033060_100011218427 [1,1,0,0,0,0|1,0,0]=3 5222 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100011218427_100000033060 [1,1,0,0,0,0|1,0,0]=3 5223 B11R0.147 C=CCOC(=O)CSCC(F)F 62a_100000033060_100011934356 [1,1,0,0,0,0|2,0,0]=4 5224 B11R0.147 C=CCOC(=O)CSCC(F)F 62a_100011934356_100000033060 [1,1,0,0,0,0|2,0,0]=4 5225 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100000033060_100009817552 [1,1,0,0,0,0|1,0,0]=3 5226 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000033060 [1,1,0,0,0,0|1,0,0]=3 5227 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [1,1,0,0,0,0|1,0,1]=4 5228 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [1,1,0,0,0,0|1,0,1]=4 5229 B11R0.152 C#CC(CCCCC)OCC=C 34a_100011216489_100015514636 [1,1,0,0,0,0|1,0,1]=4 5230 B11R0.152 C#CC(CCCCC)OCC=C 7a_100011216489_100015514636 [1,1,0,0,0,0|1,0,1]=4 5231 B11R0.152 C=CCOC(C=C)CCCCC 34a_100011216863_100015514636 [1,1,0,0,0,0|1,0,1]=4 5232 B11R0.152 C=CCOC(C=C)CCCCC 7a_100011216863_100015514636 [1,1,0,0,0,0|1,0,1]=4 5233 B11R0.152 C=CCOC(CC)CCCCC 34a_100011215405_100015514636 [1,1,0,0,0,0|1,0,1]=4 5234 B11R0.152 C=CCOC(CC)CCCCC 7a_100011215405_100015514636 [1,1,0,0,0,0|1,0,1]=4 5235 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [1,1,0,0,0,0|1,0,1]=4 5236 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [1,1,0,0,0,0|1,0,0]=3 5237 B11R0.154 C=CC(C)CC(=O)CCCCF 1458a_100011934298_100000729493 [1,1,0,0,0,0|2,0,0]=4 5238 B11R0.154 C=CC(C)CC(=O)CCCCO 1458a_100011934298_100000210776 [1,1,0,0,0,0|2,0,0]=4 5239 B11R0.154 C=CC(C)CC(=O)CCCOC 1458a_100011934298_100000740836 [1,1,0,0,0,0|2,0,0]=4 5240 B11R0.154 C=CC(C)CC(=O)CCOCC 1458a_100011934298_100011215890 [1,1,0,0,0,0|2,0,0]=4 5241 B11R0.154 C=CC(C)CC(=O)CCSCC 1458a_100011934298_100000757381 [1,1,0,0,0,0|2,0,0]=4 5242 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [1,1,0,0,0,0|2,0,0]=4 5243 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [1,1,0,0,0,0|2,0,0]=4 5244 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [1,1,0,0,0,0|2,0,0]=4 5245 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [1,1,0,0,0,0|2,0,0]=4 5246 B11R0.154 C=CC(C)OC(C)CCCCC 34a_100000695699_200011218191 [1,1,0,0,0,0|1,0,1]=4 5247 B11R0.321 C=CCNS(=O)(=O)CCCCC 270084a_100020586998_100000753860 [1,1,0,0,0,0|2,0,0]=4 5248 B11R0.321 C=CCNS(=O)(=O)CCCCC 274078a_100020586998_100000753860 [1,1,0,0,0,0|2,0,0]=4 5249 B13R0.1 C=C(Br)CCOC(C)CCCCCC 34a_100009813270_100011215978 [0,2,0,0,0,0|1,0,1]=4 5250 B13R0.1 C=C(C)C=NNC(=O)CCCCCC 4a_100011221127_100000210575 [0,2,0,0,0,0|1,0,1]=4 5251 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [0,2,0,0,0,0|1,0,1]=4 5252 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [0,2,0,0,0,0|1,0,1]=4 5253 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [0,2,0,0,0,0|1,0,1]=4 5254 B13R0.1 C=C(C)CNNC(=O)CCCCCC 22a_100000729518_100102632555 [0,2,0,0,0,0|1,0,0]=3 5255 B13R0.1 C=C(C)CNNC(=O)CCCCCO 22a_100000729518_100102619762 [0,2,0,0,0,0|2,0,0]=4 5256 B13R0.1 C=C(C)CNNC(=O)COCCCC 22a_100000729518_100000757543 [0,2,0,0,0,0|2,0,0]=4 5257 B13R0.1 C=C(C)CNNC(=O)CSCCCC 22a_100000729518_100000191162 [0,2,0,0,0,0|2,0,0]=4 5258 B13R0.1 C=C(C)CNNC(=O)NCCCCC 273464a_100000209983_100000729518 [0,2,0,0,0,0|2,0,0]=4 5259 B13R0.1 C=C(C)CNNC(=O)NCCCCC 512a_100000209983_100000729518 [0,2,0,0,0,0|2,0,0]=4 5260 B13R0.1 C=C(C)CNNC(=O)NCCCCC 512a_100000729518_100000209983 [0,2,0,0,0,0|2,0,0]=4 5261 B13R0.1 C=C(C)COCC(=O)NCCCCC 34a_100000210245_100000230301 [0,2,0,0,0,0|1,0,0]=3 5262 B13R0.1 C=C(C)COCC(=O)NCCCOC 34a_100000210245_100000183178 [0,2,0,0,0,0|2,0,0]=4 5263 B13R0.1 C=C(C)COCC(=O)OCCOCC 34a_100000210245_200000101388 [0,2,0,0,0,0|2,0,0]=4 5264 B13R0.1 C=C(C)CSCC(=O)NCCCCC 62a_100000230301_100000211660 [0,2,0,0,0,0|1,1,0]=4 5265 B13R0.1 C=C(C)CSCC(=O)NCCCCC 62a_100000748629_100000230301 [0,2,0,0,0,0|1,1,0]=4 5266 B13R0.1 C=C(F)COCC(=O)NCCCCC 34a_200010262243_100000230301 [0,2,0,0,0,0|1,0,0]=3 5267 B13R0.1 C=C(F)COCC(=O)NCCCOC 34a_200010262243_100000183178 [0,2,0,0,0,0|2,0,0]=4 5268 B13R0.1 C=C(F)COCC(=O)OCCOCC 34a_200010262243_200000101388 [0,2,0,0,0,0|2,0,0]=4 5269 B13R0.1 C=C(F)CSCC(=O)NCCCCC 62a_100000042424_100000230301 [0,2,0,0,0,0|1,1,0]=4 5270 B13R0.1 C=C(F)CSCC(=O)NCCCCC 62a_100000230301_100000042424 [0,2,0,0,0,0|1,1,0]=4 5271 B13R0.1 CC(=CCCC(=O)CCCCCO)C 1458a_100102619762_100011217483 [0,2,0,0,0,0|2,0,0]=4 5272 B13R0.1 CCCCCCC(=O)CCC=C(C)C 1458a_100102632555_100011217483 [0,2,0,0,0,0|1,0,0]=3 5273 B13R0.1 CCCCCCC(=O)CCC=C(F)F 1458a_100102632555_200009816681 [0,2,0,0,0,0|1,0,0]=3 5274 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,2,0,0,0,0|1,0,1]=4 5275 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,2,0,0,0,0|1,0,1]=4 5276 B13R0.1 CCCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210757 [0,2,0,0,0,0|2,0,0]=4 5277 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,2,0,0,0,0|1,0,1]=4 5278 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,2,0,0,0,0|1,0,1]=4 5279 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,2,0,0,0,0|2,0,0]=4 5280 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,2,0,0,0,0|2,0,0]=4 5281 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,2,0,0,0,0|1,0,1]=4 5282 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,2,0,0,0,0|2,0,0]=4 5283 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,2,0,0,0,0|1,0,1]=4 5284 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,2,0,0,0,0|1,0,0]=3 5285 B13R0.1 CCCCCCC(=O)COCC(C)C 1458a_100011223364_100000210757 [0,2,0,0,0,0|0,0,2]=4 5286 B13R0.1 CCCCCCC(=O)NCC=C(C)C 11a_100000718196_100102632555 [0,2,0,0,0,0|1,0,0]=3 5287 B13R0.1 CCCCCCC(=O)NCC=C(C)C 1626a_100000718196_100102632555 [0,2,0,0,0,0|1,0,0]=3 5288 B13R0.1 CCCCCCC(=O)NCC=C(C)C 527a_100000718196_100102632555 [0,2,0,0,0,0|1,0,0]=3 5289 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 5290 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 5291 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 5292 B13R0.1 CCCCCCC(C)OCC=C(C)C 34a_100000210265_100000761012 [0,2,0,0,0,0|1,0,1]=4 5293 B13R0.1 CCCCCCC(C)OCC=C(C)C 34a_100000753907_100011215978 [0,2,0,0,0,0|1,0,1]=4 5294 B13R0.1 CCCCCCC(C)OCC=C(C)C 7a_100000210265_100000761012 [0,2,0,0,0,0|1,0,1]=4 5295 B13R0.1 CCCCCNC(=O)COCC(=O)C 34a_100000211253_100000230301 [0,2,0,0,0,0|1,0,1]=4 5296 B13R0.1 CCCCCNC(=O)COCC(=O)N 1626a_100000209983_100011219004 [0,2,0,0,0,0|2,0,0]=4 5297 B13R0.1 CCCCCNC(=O)COCC(=O)N 240690a_100000209983_100011219004 [0,2,0,0,0,0|2,0,0]=4 5298 B13R0.1 CCCCCNC(=O)COCC(=O)N 527a_100000209983_100011219004 [0,2,0,0,0,0|2,0,0]=4 5299 B13R0.1 CCCCCNC(=O)NCC=C(C)C 2708a_100000209983_100000718196 [0,2,0,0,0,0|2,0,0]=4 5300 B13R0.1 CCCCCNC(=O)NCC=C(C)C 2708a_100000718196_100000209983 [0,2,0,0,0,0|2,0,0]=4 5301 B13R0.1 CCCCCNC(=O)NCC=C(C)C 273464a_100000209983_100000718196 [0,2,0,0,0,0|2,0,0]=4 5302 B13R0.1 CCCCCNC(=O)NCC=C(C)C 273464a_100000718196_100000209983 [0,2,0,0,0,0|2,0,0]=4 5303 B13R0.1 CCCCCNC(=O)NCC=C(C)C 512a_100000209983_100000718196 [0,2,0,0,0,0|2,0,0]=4 5304 B13R0.1 CCCCCNC(=O)NCC=C(C)C 512a_100000718196_100000209983 [0,2,0,0,0,0|2,0,0]=4 5305 B13R0.1 CCCCOCC(=O)CCC=C(C)C 1458a_100000757543_100011217483 [0,2,0,0,0,0|2,0,0]=4 5306 B13R0.1 CCCCOCC(=O)CCC=C(F)F 1458a_100000757543_200009816681 [0,2,0,0,0,0|2,0,0]=4 5307 B13R0.1 CCCCOCC(=O)COCC(=O)N 1458a_100011219004_100011995733 [0,2,0,0,0,0|2,0,0]=4 5308 B13R0.1 CCCCOCC(=O)NCC=C(C)C 11a_100000718196_100000757543 [0,2,0,0,0,0|2,0,0]=4 5309 B13R0.1 CCCCOCC(=O)NCC=C(C)C 1626a_100000718196_100000757543 [0,2,0,0,0,0|2,0,0]=4 5310 B13R0.1 CCCCOCC(=O)NCC=C(C)C 527a_100000718196_100000757543 [0,2,0,0,0,0|2,0,0]=4 5311 B13R0.1 CCCCSCC(=O)CCC=C(C)C 1458a_100000191162_100011217483 [0,2,0,0,0,0|2,0,0]=4 5312 B13R0.1 CCCCSCC(=O)CCC=C(F)F 1458a_100000191162_200009816681 [0,2,0,0,0,0|2,0,0]=4 5313 B13R0.1 CCCCSCC(=O)NCC=C(C)C 11a_100000718196_100000191162 [0,2,0,0,0,0|2,0,0]=4 5314 B13R0.1 CCCCSCC(=O)NCC=C(C)C 1626a_100000718196_100000191162 [0,2,0,0,0,0|2,0,0]=4 5315 B13R0.1 CCCCSCC(=O)NCC=C(C)C 527a_100000718196_100000191162 [0,2,0,0,0,0|2,0,0]=4 5316 B13R0.1 CCCOCCC(=O)COCC(=O)N 1458a_100011219004_100011215938 [0,2,0,0,0,0|2,0,0]=4 5317 B13R0.1 CCOCCCC(=O)COCC(=O)N 1458a_100011219004_100012232248 [0,2,0,0,0,0|2,0,0]=4 5318 B13R0.1 COCCCCC(=O)COCC(=O)N 1458a_100011219004_100000755781 [0,2,0,0,0,0|2,0,0]=4 5319 B13R0.1 NC(=O)COCC(=O)CCCCCF 1458a_100011219004_100000729378 [0,2,0,0,0,0|2,0,0]=4 5320 B13R0.1 NC(=O)COCC(=O)CCCCCO 1458a_100011219004_100000746330 [0,2,0,0,0,0|2,0,0]=4 5321 B13R0.1 O=C(CCC=C(F)F)CCCCCO 1458a_100102619762_200009816681 [0,2,0,0,0,0|2,0,0]=4 5322 B13R0.165 C#CCCCCC(=O)CCOCC=C 1458a_200011217002_100010269958 [0,2,0,0,0,0|0,0,2]=4 5323 B13R0.165 C#CCOCCC(=O)CCCCCC 1458a_100000693358_100000210757 [0,2,0,0,0,0|0,0,2]=4 5324 B13R0.165 C#CCOCCC(=O)CCCCCC 1458a_100102632555_100010402529 [0,2,0,0,0,0|0,0,2]=4 5325 B13R0.165 C/C=C/CCOC(C)CCCCCC 34a_100016278192_100011215978 [0,2,0,0,0,0|1,0,1]=4 5326 B13R0.165 C/C=C/COCC(=O)NCCCCC 34a_100016270725_100000230301 [0,2,0,0,0,0|1,0,0]=3 5327 B13R0.165 C/C=C/COCC(=O)NCCCOC 34a_100016270725_100000183178 [0,2,0,0,0,0|2,0,0]=4 5328 B13R0.165 C/C=C/COCC(=O)OCCOCC 34a_100016270725_200000101388 [0,2,0,0,0,0|2,0,0]=4 5329 B13R0.165 C/C=C/CSCC(=O)NCCCCC 62a_100000230301_100102629194 [0,2,0,0,0,0|1,1,0]=4 5330 B13R0.165 C/C=C/CSCC(=O)NCCCCC 62a_100102629194_100000230301 [0,2,0,0,0,0|1,1,0]=4 5331 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,2,0,0,0,0|1,0,0]=3 5332 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,2,0,0,0,0|1,0,0]=3 5333 B13R0.165 C=CCCCCC(=O)CCCCCF 1458a_100011215552_100000729378 [0,2,0,0,0,0|2,0,0]=4 5334 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,2,0,0,0,0|2,0,0]=4 5335 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,2,0,0,0,0|2,0,0]=4 5336 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [0,2,0,0,0,0|2,0,0]=4 5337 B13R0.165 C=CCCCCC(=O)CCCOCC 1458a_100011215552_100012232248 [0,2,0,0,0,0|2,0,0]=4 5338 B13R0.165 C=CCCCCC(=O)CCOCC=C 1458a_200011217002_100011215482 [0,2,0,0,0,0|0,0,2]=4 5339 B13R0.165 C=CCCCCC(=O)CCOCCC 1458a_100011215552_100011215938 [0,2,0,0,0,0|2,0,0]=4 5340 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100000757543_100011215482 [0,2,0,0,0,0|2,0,0]=4 5341 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100011215552_100011995733 [0,2,0,0,0,0|2,0,0]=4 5342 B13R0.165 C=CCCCCC(=O)CSCCCC 1458a_100000191162_100011215482 [0,2,0,0,0,0|2,0,0]=4 5343 B13R0.165 C=CCCCCC(=O)NCCCCC 11a_100000209983_100011215552 [0,2,0,0,0,0|2,0,0]=4 5344 B13R0.165 C=CCCCCC(=O)NCCCCC 1626a_100000209983_100011215552 [0,2,0,0,0,0|2,0,0]=4 5345 B13R0.165 C=CCCCCC(=O)NCCCCC 240690a_100000209983_100011215552 [0,2,0,0,0,0|2,0,0]=4 5346 B13R0.165 C=CCCCCC(=O)NCCCCC 527a_100000209983_100011215552 [0,2,0,0,0,0|2,0,0]=4 5347 B13R0.165 C=CCCCNC(=O)CCCCCC 11a_100000700776_100102632555 [0,2,0,0,0,0|1,0,0]=3 5348 B13R0.165 C=CCCCNC(=O)CCCCCC 1626a_100000700776_100102632555 [0,2,0,0,0,0|1,0,0]=3 5349 B13R0.165 C=CCCCNC(=O)CCCCCC 240690a_100000700776_100102632555 [0,2,0,0,0,0|1,0,0]=3 5350 B13R0.165 C=CCCCNC(=O)CCCCCC 527a_100000700776_100102632555 [0,2,0,0,0,0|1,0,0]=3 5351 B13R0.165 C=CCCCNC(=O)CCCCCO 240690a_100000700776_100102619762 [0,2,0,0,0,0|2,0,0]=4 5352 B13R0.165 C=CCCCNC(=O)COCCCC 11a_100000700776_100000757543 [0,2,0,0,0,0|2,0,0]=4 5353 B13R0.165 C=CCCCNC(=O)COCCCC 1626a_100000700776_100000757543 [0,2,0,0,0,0|2,0,0]=4 5354 B13R0.165 C=CCCCNC(=O)COCCCC 240690a_100000700776_100000757543 [0,2,0,0,0,0|2,0,0]=4 5355 B13R0.165 C=CCCCNC(=O)COCCCC 527a_100000700776_100000757543 [0,2,0,0,0,0|2,0,0]=4 5356 B13R0.165 C=CCCCNC(=O)CSCCCC 11a_100000700776_100000191162 [0,2,0,0,0,0|2,0,0]=4 5357 B13R0.165 C=CCCCNC(=O)CSCCCC 1626a_100000700776_100000191162 [0,2,0,0,0,0|2,0,0]=4 5358 B13R0.165 C=CCCCNC(=O)CSCCCC 240690a_100000700776_100000191162 [0,2,0,0,0,0|2,0,0]=4 5359 B13R0.165 C=CCCCNC(=O)CSCCCC 527a_100000700776_100000191162 [0,2,0,0,0,0|2,0,0]=4 5360 B13R0.165 C=CCCCNC(=O)NCCCCC 2708a_100000209983_100000700776 [0,2,0,0,0,0|2,0,0]=4 5361 B13R0.165 C=CCCCNC(=O)NCCCCC 2708a_100000700776_100000209983 [0,2,0,0,0,0|2,0,0]=4 5362 B13R0.165 C=CCCCNC(=O)NCCCCC 273464a_100000209983_100000700776 [0,2,0,0,0,0|2,0,0]=4 5363 B13R0.165 C=CCCCNC(=O)NCCCCC 273464a_100000700776_100000209983 [0,2,0,0,0,0|2,0,0]=4 5364 B13R0.165 C=CCCCNC(=O)NCCCCC 512a_100000209983_100000700776 [0,2,0,0,0,0|2,0,0]=4 5365 B13R0.165 C=CCCCNC(=O)NCCCCC 512a_100000700776_100000209983 [0,2,0,0,0,0|2,0,0]=4 5366 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [0,2,0,0,0,0|1,0,1]=4 5367 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [0,2,0,0,0,0|1,0,1]=4 5368 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [0,2,0,0,0,0|1,0,1]=4 5369 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [0,2,0,0,0,0|1,0,1]=4 5370 B13R0.165 C=CCCNCC(=O)NCCCCC 2230a_100015191253_100000230301 [0,2,0,0,0,0|2,0,0]=4 5371 B13R0.165 C=CCCOCC(=O)NCCCCC 34a_100011205117_100000230301 [0,2,0,0,0,0|1,0,0]=3 5372 B13R0.165 C=CCCOCC(=O)NCCCOC 34a_100011205117_100000183178 [0,2,0,0,0,0|2,0,0]=4 5373 B13R0.165 C=CCCOCC(=O)OCCOCC 34a_100011205117_200000101388 [0,2,0,0,0,0|2,0,0]=4 5374 B13R0.165 C=CCCSCC(=O)NCCCCC 62a_100000230301_100000754431 [0,2,0,0,0,0|1,1,0]=4 5375 B13R0.165 C=CCCSCC(=O)NCCCCC 62a_100000754431_100000230301 [0,2,0,0,0,0|1,1,0]=4 5376 B13R0.165 C=CCOCCC(=O)CC/C=C\CC 1458a_200011217002_100015370543 [0,2,0,0,0,0|0,0,2]=4 5377 B13R0.165 C=CCOCCC(=O)CCCCC#N 1458a_200011217002_100000211819 [0,2,0,0,0,0|1,0,1]=4 5378 B13R0.165 C=CCOCCC(=O)CCCCCC 1458a_200011217002_100000210757 [0,2,0,0,0,0|0,0,0]=2 5379 B13R0.165 C=CCOCCC(=O)CCCCCF 1458a_200011217002_100000729378 [0,2,0,0,0,0|1,0,0]=3 5380 B13R0.165 C=CCOCCC(=O)CCCCCO 1458a_200011217002_100000746330 [0,2,0,0,0,0|1,0,0]=3 5381 B13R0.165 C=CCOCCC(=O)CCCCOC 1458a_200011217002_100000755781 [0,2,0,0,0,0|1,0,0]=3 5382 B13R0.165 C=CCOCCC(=O)CCCOCC 1458a_200011217002_100012232248 [0,2,0,0,0,0|1,0,0]=3 5383 B13R0.165 C=CCOCCC(=O)CCOCCC 1458a_200011217002_100011215938 [0,2,0,0,0,0|1,0,0]=3 5384 B13R0.165 C=CCOCCC(=O)CCOCCO 1458a_200011217002_100011215305 [0,2,0,0,0,0|2,0,0]=4 5385 B13R0.165 C=CCOCCC(=O)COCCCC 1458a_200011217002_100011995733 [0,2,0,0,0,0|1,0,0]=3 5386 B13R0.165 C=CCOCCC(=O)NCCCCC 11a_100000209983_200011217002 [0,2,0,0,0,0|1,0,0]=3 5387 B13R0.165 C=CCOCCC(=O)NCCCCC 1626a_100000209983_200011217002 [0,2,0,0,0,0|1,0,0]=3 5388 B13R0.165 C=CCOCCC(=O)NCCCCC 240690a_100000209983_200011217002 [0,2,0,0,0,0|1,0,0]=3 5389 B13R0.165 C=CCOCCC(=O)NCCCCC 527a_100000209983_200011217002 [0,2,0,0,0,0|1,0,0]=3 5390 B13R0.165 C=CCOCCC(=O)NCCCCO 240690a_100000750430_200011217002 [0,2,0,0,0,0|2,0,0]=4 5391 B13R0.165 C=CCOCCC(=O)NCCCCO 527a_100000750430_200011217002 [0,2,0,0,0,0|2,0,0]=4 5392 B13R0.165 C=CCOCCC(=O)NCCCOC 1626a_100150723488_200011217002 [0,2,0,0,0,0|2,0,0]=4 5393 B13R0.165 C=CCOCCC(=O)NCCCOC 240690a_100150723488_200011217002 [0,2,0,0,0,0|2,0,0]=4 5394 B13R0.165 C=CCOCCC(=O)NCCCOC 527a_100150723488_200011217002 [0,2,0,0,0,0|2,0,0]=4 5395 B13R0.165 C=CCOCCC(=O)NCCCSC 11a_100000749238_200011217002 [0,2,0,0,0,0|2,0,0]=4 5396 B13R0.165 C=CCOCCC(=O)NCCCSC 1626a_100000749238_200011217002 [0,2,0,0,0,0|2,0,0]=4 5397 B13R0.165 C=CCOCCC(=O)NCCCSC 240690a_100000749238_200011217002 [0,2,0,0,0,0|2,0,0]=4 5398 B13R0.165 C=CCOCCC(=O)NCCCSC 527a_100000749238_200011217002 [0,2,0,0,0,0|2,0,0]=4 5399 B13R0.165 C=CCOCCC(=O)NCCOCC 11a_100011200944_200011217002 [0,2,0,0,0,0|2,0,0]=4 5400 B13R0.165 C=CCOCCC(=O)NCCOCC 1626a_102516460346_200011217002 [0,2,0,0,0,0|2,0,0]=4 5401 B13R0.165 C=CCOCCC(=O)NCCOCC 240690a_100011200944_200011217002 [0,2,0,0,0,0|2,0,0]=4 5402 B13R0.165 C=CCOCCC(=O)NCCOCC 527a_100011200944_200011217002 [0,2,0,0,0,0|2,0,0]=4 5403 B13R0.165 C=CCOCCC(=O)NCCSCC 11a_100000106463_200011217002 [0,2,0,0,0,0|2,0,0]=4 5404 B13R0.165 C=CCOCCC(=O)NCCSCC 1626a_100000106463_200011217002 [0,2,0,0,0,0|2,0,0]=4 5405 B13R0.165 C=CCOCCC(=O)NCCSCC 240690a_100000106463_200011217002 [0,2,0,0,0,0|2,0,0]=4 5406 B13R0.165 C=CCOCCC(=O)NCCSCC 527a_100000106463_200011217002 [0,2,0,0,0,0|2,0,0]=4 5407 B13R0.165 C=CCOCCC(=O)NNCCCC 22a_100025702795_200011217002 [0,2,0,0,0,0|2,0,0]=4 5408 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [0,2,0,0,0,0|1,0,1]=4 5409 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [0,2,0,0,0,0|1,0,1]=4 5410 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000033082_100011215978 [0,2,0,0,0,0|1,0,1]=4 5411 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000210265_100000039644 [0,2,0,0,0,0|1,0,1]=4 5412 B13R0.165 C=COCCOC(C)CCCCCC 7a_100000210265_100000039644 [0,2,0,0,0,0|1,0,1]=4 5413 B13R0.165 CC/C=C\CCC(=O)CCCCCC 1458a_100102632555_100015370543 [0,2,0,0,0,0|1,0,0]=3 5414 B13R0.165 CC/C=C\CCC(=O)CCCCCO 1458a_100102619762_100015370543 [0,2,0,0,0,0|2,0,0]=4 5415 B13R0.165 CC/C=C\CCC(=O)COCCCC 1458a_100000757543_100015370543 [0,2,0,0,0,0|2,0,0]=4 5416 B13R0.165 CC/C=C\CCC(=O)CSCCCC 1458a_100000191162_100015370543 [0,2,0,0,0,0|2,0,0]=4 5417 B13R0.165 CC/C=C\COC(C)CCCCCC 34a_100000210265_100103147603 [0,2,0,0,0,0|1,0,1]=4 5418 B13R0.165 CC/C=C\COC(C)CCCCCC 34a_100016268518_100011215978 [0,2,0,0,0,0|1,0,1]=4 5419 B13R0.165 CC/C=C\COC(C)CCCCCC 7a_100000210265_100103147603 [0,2,0,0,0,0|1,0,1]=4 5420 B13R0.165 CC=CCSCC(=O)NCCCCC 62a_100000070051_100000230301 [0,2,0,0,0,0|1,1,0]=4 5421 B13R0.165 CC=CCSCC(=O)NCCCCC 62a_100000230301_100000070051 [0,2,0,0,0,0|1,1,0]=4 5422 B13R0.165 CCCCCCC(=O)CCOCC#N 1458a_100102632555_200000047693 [0,2,0,0,0,0|1,0,1]=4 5423 B13R0.165 CCCCCCC(=O)CCOCCC 1458a_100102632555_100011215938 [0,2,0,0,0,0|0,0,2]=4 5424 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100011229844_100000210757 [0,2,0,0,0,0|1,0,1]=4 5425 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100102632555_100011215305 [0,2,0,0,0,0|1,0,1]=4 5426 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100000757543_100000210757 [0,2,0,0,0,0|0,0,2]=4 5427 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100102632555_100011995733 [0,2,0,0,0,0|0,0,2]=4 5428 B13R0.165 CCCCCCC(=O)COCCOC 1458a_100000211095_100000210757 [0,2,0,0,0,0|0,0,2]=4 5429 B13R0.188 C#CCOCC(=O)CCCCC(C)C 1458a_100011251226_100011216152 [0,2,0,0,0,0|0,0,2]=4 5430 B13R0.188 C/C=C/C=CC(=O)CCCCC(C)C 1458a_100000185730_100011216152 [0,2,0,0,0,0|1,0,1]=4 5431 B13R0.188 C=CCCCC(=O)CCCCC(=O)C 1458a_100000766728_100000735457 [0,2,0,0,0,0|1,0,1]=4 5432 B13R0.188 C=CCCCC(=O)CCCCC(C)C 1458a_100000766728_100011216152 [0,2,0,0,0,0|1,0,0]=3 5433 B13R0.188 C=CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000757094 [0,2,0,0,0,0|1,0,0]=3 5434 B13R0.188 C=CCCCC(=O)NCCCC(C)C 11a_200000737386_100000766728 [0,2,0,0,0,0|2,0,0]=4 5435 B13R0.188 C=CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000766728 [0,2,0,0,0,0|2,0,0]=4 5436 B13R0.188 C=CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000766728 [0,2,0,0,0,0|2,0,0]=4 5437 B13R0.188 C=CCCCC(=O)NCCCC(C)C 527a_200000737386_100000766728 [0,2,0,0,0,0|2,0,0]=4 5438 B13R0.188 C=CCCNC(=O)CCCCC(C)C 11a_100015191253_100011933920 [0,2,0,0,0,0|1,0,0]=3 5439 B13R0.188 C=CCCNC(=O)CCCCC(C)C 1626a_100015191253_100011933920 [0,2,0,0,0,0|1,0,0]=3 5440 B13R0.188 C=CCCNC(=O)CCCCC(C)C 240690a_100015191253_100011933920 [0,2,0,0,0,0|1,0,0]=3 5441 B13R0.188 C=CCCNC(=O)CCCCC(C)C 527a_100015191253_100011933920 [0,2,0,0,0,0|1,0,0]=3 5442 B13R0.188 C=CCCNC(=O)CCCCN(C)C 11a_100015191253_100000751710 [0,2,0,0,0,0|2,0,0]=4 5443 B13R0.188 C=CCCNC(=O)CCCCN(C)C 240690a_100015191253_100000751710 [0,2,0,0,0,0|2,0,0]=4 5444 B13R0.188 C=CCCNC(=O)CCCCN(C)C 527a_100015191253_100000751710 [0,2,0,0,0,0|2,0,0]=4 5445 B13R0.188 C=CCCNC(=O)NCCCC(C)C 2708a_100015191253_200000737386 [0,2,0,0,0,0|2,0,0]=4 5446 B13R0.188 C=CCCNC(=O)NCCCC(C)C 2708a_200000737386_100015191253 [0,2,0,0,0,0|2,0,0]=4 5447 B13R0.188 C=CCCNC(=O)NCCCC(C)C 273464a_100015191253_200000737386 [0,2,0,0,0,0|2,0,0]=4 5448 B13R0.188 C=CCCNC(=O)NCCCC(C)C 273464a_200000737386_100015191253 [0,2,0,0,0,0|2,0,0]=4 5449 B13R0.188 C=CCCNC(=O)NCCCC(C)C 512a_100015191253_200000737386 [0,2,0,0,0,0|2,0,0]=4 5450 B13R0.188 C=CCCNC(=O)NCCCC(C)C 512a_200000737386_100015191253 [0,2,0,0,0,0|2,0,0]=4 5451 B13R0.188 C=CCNNC(=O)CCCCC(C)C 22a_100020588587_100011933920 [0,2,0,0,0,0|1,0,0]=3 5452 B13R0.188 C=CCNNC(=O)CCCCN(C)C 22a_100020588587_100000751710 [0,2,0,0,0,0|2,0,0]=4 5453 B13R0.188 C=CCNNC(=O)NCCCC(C)C 273464a_200000737386_100020588587 [0,2,0,0,0,0|2,0,0]=4 5454 B13R0.188 C=CCNNC(=O)NCCCC(C)C 512a_100020588587_200000737386 [0,2,0,0,0,0|2,0,0]=4 5455 B13R0.188 C=CCNNC(=O)NCCCC(C)C 512a_200000737386_100020588587 [0,2,0,0,0,0|2,0,0]=4 5456 B13R0.188 C=CCSCC(=O)CCCCC(=O)C 1458a_100000230395_100000735457 [0,2,0,0,0,0|0,1,1]=4 5457 B13R0.188 C=CCSCC(=O)CCCCC(C)C 1458a_100000230395_100011216152 [0,2,0,0,0,0|0,1,0]=3 5458 B13R0.188 C=CCSCC(=O)NCCCC(C)C 11a_200000737386_100000230395 [0,2,0,0,0,0|1,1,0]=4 5459 B13R0.188 C=CCSCC(=O)NCCCC(C)C 1626a_200000737386_100000230395 [0,2,0,0,0,0|1,1,0]=4 5460 B13R0.188 C=CCSCC(=O)NCCCC(C)C 240690a_200000737386_100000230395 [0,2,0,0,0,0|1,1,0]=4 5461 B13R0.188 C=CCSCC(=O)NCCCC(C)C 527a_200000737386_100000230395 [0,2,0,0,0,0|1,1,0]=4 5462 B13R0.188 C=COCCC(=O)CCCCC(C)C 1458a_100011933920_100000039644 [0,2,0,0,0,0|1,0,0]=3 5463 B13R0.188 CC(C)CCCCC(=O)COCCO 1458a_100000708028_100011216152 [0,2,0,0,0,0|1,0,1]=4 5464 B13R0.188 CCCOCC(=O)CCCCC(C)C 1458a_100000745993_100011216152 [0,2,0,0,0,0|0,0,2]=4 5465 B13R0.194 C=CCCCC(=O)CCCN(C)CC 1458a_100000766728_100015186262 [0,2,0,0,0,0|2,0,0]=4 5466 B13R0.194 C=CCCCC(=O)NCCC(C)CC 11a_100020591266_100000766728 [0,2,0,0,0,0|2,0,0]=4 5467 B13R0.194 C=CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000766728 [0,2,0,0,0,0|2,0,0]=4 5468 B13R0.194 C=CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000766728 [0,2,0,0,0,0|2,0,0]=4 5469 B13R0.194 C=CCCCC(=O)NCCC(C)CC 527a_100020591266_100000766728 [0,2,0,0,0,0|2,0,0]=4 5470 B13R0.194 C=CCCNC(=O)NCCC(C)CC 2708a_100015191253_100020591266 [0,2,0,0,0,0|2,0,0]=4 5471 B13R0.194 C=CCCNC(=O)NCCC(C)CC 2708a_100020591266_100015191253 [0,2,0,0,0,0|2,0,0]=4 5472 B13R0.194 C=CCCNC(=O)NCCC(C)CC 273464a_100015191253_100020591266 [0,2,0,0,0,0|2,0,0]=4 5473 B13R0.194 C=CCCNC(=O)NCCC(C)CC 273464a_100020591266_100015191253 [0,2,0,0,0,0|2,0,0]=4 5474 B13R0.194 C=CCCNC(=O)NCCC(C)CC 512a_100015191253_100020591266 [0,2,0,0,0,0|2,0,0]=4 5475 B13R0.194 C=CCCNC(=O)NCCC(C)CC 512a_100020591266_100015191253 [0,2,0,0,0,0|2,0,0]=4 5476 B13R0.194 C=CCNNC(=O)NCCC(C)CC 273464a_100020591266_100020588587 [0,2,0,0,0,0|2,0,0]=4 5477 B13R0.194 C=CCNNC(=O)NCCC(C)CC 512a_100020588587_100020591266 [0,2,0,0,0,0|2,0,0]=4 5478 B13R0.194 C=CCNNC(=O)NCCC(C)CC 512a_100020591266_100020588587 [0,2,0,0,0,0|2,0,0]=4 5479 B13R0.194 C=CCSCC(=O)CCCN(C)CC 1458a_100000230395_100015186262 [0,2,0,0,0,0|1,1,0]=4 5480 B13R0.194 C=CCSCC(=O)NCCC(C)CC 11a_100020591266_100000230395 [0,2,0,0,0,0|1,1,0]=4 5481 B13R0.194 C=CCSCC(=O)NCCC(C)CC 1626a_100020591266_100000230395 [0,2,0,0,0,0|1,1,0]=4 5482 B13R0.194 C=CCSCC(=O)NCCC(C)CC 240690a_100020591266_100000230395 [0,2,0,0,0,0|1,1,0]=4 5483 B13R0.194 C=CCSCC(=O)NCCC(C)CC 527a_100020591266_100000230395 [0,2,0,0,0,0|1,1,0]=4 5484 B13R0.195 C#CCCCC(=O)CC(=O)OCC=C 1458a_100000690238_100000033060 [0,2,0,0,0,0|0,0,2]=4 5485 B13R0.195 C=CC=CC(=O)CC(=O)CCCCC 1458a_100016291481_200012276598 [0,2,0,0,0,0|1,0,1]=4 5486 B13R0.195 C=CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100016291481 [0,2,0,0,0,0|1,0,1]=4 5487 B13R0.195 C=CCCC(=O)CC(=O)CCCCC 1458a_100000749702_200012276598 [0,2,0,0,0,0|1,0,0]=3 5488 B13R0.195 C=CCCC(=O)CC(=O)NCCCC 1458a_100000749702_100000182744 [0,2,0,0,0,0|1,0,1]=4 5489 B13R0.195 C=CCCC(=O)CC(=O)OCCCC 1458a_100000749702_100000211628 [0,2,0,0,0,0|1,0,1]=4 5490 B13R0.195 C=CCCC(=O)NC(C)CCCCC 11a_100000211957_100000749702 [0,2,0,0,0,0|1,0,0]=3 5491 B13R0.195 C=CCCC(=O)NC(C)CCCCC 1626a_100000211957_100000749702 [0,2,0,0,0,0|1,0,0]=3 5492 B13R0.195 C=CCCC(=O)NC(C)CCCCC 240690a_100000211957_100000749702 [0,2,0,0,0,0|1,0,0]=3 5493 B13R0.195 C=CCCC(=O)NC(C)CCCCC 527a_100000211957_100000749702 [0,2,0,0,0,0|1,0,0]=3 5494 B13R0.195 C=CCCCC(=O)CC(=O)OCC=C 1458a_100000766728_100000033060 [0,2,0,0,0,0|0,0,2]=4 5495 B13R0.195 C=CCCCC(=O)NC(C)CCCC 11a_100000126638_100000766728 [0,2,0,0,0,0|2,0,0]=4 5496 B13R0.195 C=CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000766728 [0,2,0,0,0,0|2,0,0]=4 5497 B13R0.195 C=CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000766728 [0,2,0,0,0,0|2,0,0]=4 5498 B13R0.195 C=CCCCC(=O)NC(C)CCCC 527a_100000126638_100000766728 [0,2,0,0,0,0|2,0,0]=4 5499 B13R0.195 C=CCCNC(=O)NC(C)CCCC 2708a_100000126638_100015191253 [0,2,0,0,0,0|2,0,0]=4 5500 B13R0.195 C=CCCNC(=O)NC(C)CCCC 2708a_100015191253_100000126638 [0,2,0,0,0,0|2,0,0]=4 5501 B13R0.195 C=CCCNC(=O)NC(C)CCCC 273464a_100000126638_100015191253 [0,2,0,0,0,0|2,0,0]=4 5502 B13R0.195 C=CCCNC(=O)NC(C)CCCC 273464a_100015191253_100000126638 [0,2,0,0,0,0|2,0,0]=4 5503 B13R0.195 C=CCCNC(=O)NC(C)CCCC 512a_100000126638_100015191253 [0,2,0,0,0,0|2,0,0]=4 5504 B13R0.195 C=CCCNC(=O)NC(C)CCCC 512a_100015191253_100000126638 [0,2,0,0,0,0|2,0,0]=4 5505 B13R0.195 C=CCNC(=O)CC(=O)CCCCC 1458a_100000212188_100000183597 [0,2,0,0,0,0|1,0,0]=3 5506 B13R0.195 C=CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183597 [0,2,0,0,0,0|1,0,1]=4 5507 B13R0.195 C=CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183597 [0,2,0,0,0,0|1,0,1]=4 5508 B13R0.195 C=CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183597 [0,2,0,0,0,0|1,0,1]=4 5509 B13R0.195 C=CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183597 [0,2,0,0,0,0|1,0,1]=4 5510 B13R0.195 C=CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183597 [0,2,0,0,0,0|1,0,1]=4 5511 B13R0.195 C=CCNC(=O)CC(=O)COCCC 1458a_100000745993_100000183597 [0,2,0,0,0,0|1,0,1]=4 5512 B13R0.195 C=CCNC(=O)CC(=O)CSCCC 1458a_100000217233_100000183597 [0,2,0,0,0,0|1,0,1]=4 5513 B13R0.195 C=CCNC(=O)CN(C)CCCCC 2230a_100000223495_100000183597 [0,2,0,0,0,0|1,0,0]=3 5514 B13R0.195 C=CCNC(=O)CN(C)CCCCC 269982a_100000223495_100000183597 [0,2,0,0,0,0|1,0,0]=3 5515 B13R0.195 C=CCNC(=O)CN(C)CCCCO 2230a_100000717598_100000183597 [0,2,0,0,0,0|2,0,0]=4 5516 B13R0.195 C=CCNC(=O)CN(C)CCCCO 269982a_100000717598_100000183597 [0,2,0,0,0,0|2,0,0]=4 5517 B13R0.195 C=CCNC(=O)CN(C)CCCOC 2230a_100000224831_100000183597 [0,2,0,0,0,0|2,0,0]=4 5518 B13R0.195 C=CCNC(=O)CN(C)CCCOC 269982a_100000224831_100000183597 [0,2,0,0,0,0|2,0,0]=4 5519 B13R0.195 C=CCNC(=O)NC(C)CCCCC 2708a_100000211957_100020586998 [0,2,0,0,0,0|1,0,0]=3 5520 B13R0.195 C=CCNC(=O)NC(C)CCCCC 273464a_100000211957_100020586998 [0,2,0,0,0,0|1,0,0]=3 5521 B13R0.195 C=CCNC(=O)NC(C)CCCCC 273464a_100020586998_100000211957 [0,2,0,0,0,0|1,0,0]=3 5522 B13R0.195 C=CCNC(=O)NC(C)CCCCC 512a_100000211957_100020586998 [0,2,0,0,0,0|1,0,0]=3 5523 B13R0.195 C=CCNC(=O)NC(C)CCCCC 512a_100020586998_100000211957 [0,2,0,0,0,0|1,0,0]=3 5524 B13R0.195 C=CCNNC(=O)NC(C)CCCC 273464a_100000126638_100020588587 [0,2,0,0,0,0|2,0,0]=4 5525 B13R0.195 C=CCNNC(=O)NC(C)CCCC 512a_100000126638_100020588587 [0,2,0,0,0,0|2,0,0]=4 5526 B13R0.195 C=CCNNC(=O)NC(C)CCCC 512a_100020588587_100000126638 [0,2,0,0,0,0|2,0,0]=4 5527 B13R0.195 C=CCOC(=O)CC(=O)C#CCCC 1458a_200011218047_100000033060 [0,2,0,0,0,0|0,0,2]=4 5528 B13R0.195 C=CCOC(=O)CC(=O)C/C=C/CC 1458a_100016274230_100000033060 [0,2,0,0,0,0|0,0,2]=4 5529 B13R0.195 C=CCOC(=O)CC(=O)C=CCCC 1458a_100000212230_100000033060 [0,2,0,0,0,0|0,0,2]=4 5530 B13R0.195 C=CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000033060 [0,2,0,0,0,0|0,0,2]=4 5531 B13R0.195 C=CCOC(=O)CC(=O)CCCCC 1458a_100000212188_100000033060 [0,2,0,0,0,0|0,0,0]=2 5532 B13R0.195 C=CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000033060 [0,2,0,0,0,0|0,0,1]=3 5533 B13R0.195 C=CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000033060 [0,2,0,0,0,0|0,0,1]=3 5534 B13R0.195 C=CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000033060 [0,2,0,0,0,0|0,0,1]=3 5535 B13R0.195 C=CCOC(=O)CC(=O)CCOCC 1458a_100000749530_100000033060 [0,2,0,0,0,0|0,0,1]=3 5536 B13R0.195 C=CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000033060 [0,2,0,0,0,0|0,0,1]=3 5537 B13R0.195 C=CCOC(=O)CC(=O)COCCC 1458a_100000745993_100000033060 [0,2,0,0,0,0|0,0,1]=3 5538 B13R0.195 C=CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000033060 [0,2,0,0,0,0|1,0,1]=4 5539 B13R0.195 C=CCOC(=O)CC(=O)CSCCC 1458a_100000217233_100000033060 [0,2,0,0,0,0|0,0,1]=3 5540 B13R0.195 C=CCOC(=O)CN(C)CCCCC 2230a_100000223495_100000033060 [0,2,0,0,0,0|0,0,0]=2 5541 B13R0.195 C=CCOC(=O)CN(C)CCCCC 269982a_100000223495_100000033060 [0,2,0,0,0,0|0,0,0]=2 5542 B13R0.195 C=CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000033060 [0,2,0,0,0,0|1,0,0]=3 5543 B13R0.195 C=CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000033060 [0,2,0,0,0,0|1,0,0]=3 5544 B13R0.195 C=CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000033060 [0,2,0,0,0,0|1,0,0]=3 5545 B13R0.195 C=CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000033060 [0,2,0,0,0,0|1,0,0]=3 5546 B13R0.195 C=CCSCC(=O)NC(C)CCCC 11a_100000126638_100000230395 [0,2,0,0,0,0|1,1,0]=4 5547 B13R0.195 C=CCSCC(=O)NC(C)CCCC 1626a_100000126638_100000230395 [0,2,0,0,0,0|1,1,0]=4 5548 B13R0.195 C=CCSCC(=O)NC(C)CCCC 240690a_100000126638_100000230395 [0,2,0,0,0,0|1,1,0]=4 5549 B13R0.195 C=CCSCC(=O)NC(C)CCCC 527a_100000126638_100000230395 [0,2,0,0,0,0|1,1,0]=4 5550 B13R0.195 CCCCCC(=O)CC(=O)OCCC 1458a_100000212188_200011215008 [0,2,0,0,0,0|0,0,2]=4 5551 B13R0.195 CCCCCN(C)CC(=O)OCCC 2230a_100000223495_200011215008 [0,2,0,0,0,0|0,0,2]=4 5552 B13R0.195 CCCCCN(C)CC(=O)OCCC 269982a_100000223495_200011215008 [0,2,0,0,0,0|0,0,2]=4 5553 B13R0.278 C/C=C/COC(CC)CCCCCC 34a_100011215785_100102629194 [0,2,0,0,0,0|1,0,1]=4 5554 B13R0.278 C/C=C/COC(CC)CCCCCC 7a_100011215785_100102629194 [0,2,0,0,0,0|1,0,1]=4 5555 B13R0.278 C=CC(CCCCCC)OC/C=C/C 34a_200011215977_100102629194 [0,2,0,0,0,0|1,0,1]=4 5556 B13R0.278 C=CC(CCCCCC)OC/C=C/C 7a_200011215977_100102629194 [0,2,0,0,0,0|1,0,1]=4 5557 B13R0.278 C=CC(CCCCCC)OCC=CC 34a_200011215977_100000070051 [0,2,0,0,0,0|1,0,1]=4 5558 B13R0.278 C=CC(CCCCCC)OCC=CC 7a_200011215977_100000070051 [0,2,0,0,0,0|1,0,1]=4 5559 B13R0.278 C=CCCOC(C=C)CCCCCC 34a_200011215977_100000754431 [0,2,0,0,0,0|1,0,1]=4 5560 B13R0.278 C=CCCOC(C=C)CCCCCC 7a_200011215977_100000754431 [0,2,0,0,0,0|1,0,1]=4 5561 B13R0.278 C=CCCOC(CC)CCCCCC 34a_100011215785_100000754431 [0,2,0,0,0,0|1,0,1]=4 5562 B13R0.278 C=CCCOC(CC)CCCCCC 7a_100011215785_100000754431 [0,2,0,0,0,0|1,0,1]=4 5563 B13R0.278 CC=CCOC(CC)CCCCCC 34a_100011215785_100000070051 [0,2,0,0,0,0|1,0,1]=4 5564 B13R0.278 CC=CCOC(CC)CCCCCC 7a_100011215785_100000070051 [0,2,0,0,0,0|1,0,1]=4 5565 B13R0.330 C/C=C/C(C)OC(C)CCCCCC 34a_200102604097_100011215978 [0,2,0,0,0,0|1,0,1]=4 5566 B13R0.330 C=CCC(=O)CC(=O)NCCCCC 1458a_100000210193_100000230301 [0,2,0,0,0,0|2,0,0]=4 5567 B13R0.330 C=CCN(C)CC(=O)NCCCCC 2230a_100000225617_100000230301 [0,2,0,0,0,0|2,0,0]=4 5568 B13R0.330 C=CCN(C)CC(=O)NCCCCC 269982a_100000225617_100000230301 [0,2,0,0,0,0|2,0,0]=4 5569 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 34a_100000731007_100011215978 [0,2,0,0,0,0|1,0,1]=4 5570 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 7a_100000731007_100011215978 [0,2,0,0,0,0|1,0,1]=4 5571 B13R0.330 C=COC(=O)CC(=O)CCCCCC 1458a_100102632555_100000036128 [0,2,0,0,0,0|1,0,1]=4 5572 B13R0.338 C#CCCCCCC(=O)CCCC=C 1458a_100000694772_100000757094 [0,2,0,0,0,0|1,0,1]=4 5573 B13R0.338 C#CCCCCCC(=O)CCCC=C 1458a_100000766728_100012094781 [0,2,0,0,0,0|1,0,1]=4 5574 B13R0.338 C#CCCCCCC(=O)CCOC=C 1458a_100000694772_100000039644 [0,2,0,0,0,0|1,0,1]=4 5575 B13R0.338 C#CCCCCCC(=O)CSCC=C 1458a_100000230395_100012094781 [0,2,0,0,0,0|0,1,1]=4 5576 B13R0.338 C#CCCCCCC(=O)NCCC=C 11a_100015191253_100000694772 [0,2,0,0,0,0|1,0,1]=4 5577 B13R0.338 C#CCCCCCC(=O)NCCC=C 1626a_100015191253_100000694772 [0,2,0,0,0,0|1,0,1]=4 5578 B13R0.338 C#CCCCCCC(=O)NCCC=C 240690a_100015191253_100000694772 [0,2,0,0,0,0|1,0,1]=4 5579 B13R0.338 C#CCCCCCC(=O)NCCC=C 527a_100015191253_100000694772 [0,2,0,0,0,0|1,0,1]=4 5580 B13R0.338 C#CCCCCCC(=O)NNCC=C 22a_100020588587_100000694772 [0,2,0,0,0,0|1,0,1]=4 5581 B13R0.338 C#CCOCC(=O)CCCCCCC 1458a_100011251226_100000210614 [0,2,0,0,0,0|0,0,2]=4 5582 B13R0.338 C#CCOCC(=O)CCCCCCF 1458a_100011251226_100015922095 [0,2,0,0,0,0|0,0,2]=4 5583 B13R0.338 C#CCOCC(=O)CCCCCCO 1458a_100011251226_100000766143 [0,2,0,0,0,0|0,0,2]=4 5584 B13R0.338 C#CCOCC(=O)CCOCCCC 1458a_100011251226_100000743108 [0,2,0,0,0,0|0,0,2]=4 5585 B13R0.338 C#CCOCC(=O)NCCCCCC 11a_100000210581_100011251226 [0,2,0,0,0,0|0,0,2]=4 5586 B13R0.338 C#CCOCC(=O)NCCCCCC 1626a_100000210581_100011251226 [0,2,0,0,0,0|0,0,2]=4 5587 B13R0.338 C#CCOCC(=O)NCCCCCC 34a_100000210247_100000230325 [0,2,0,0,0,0|0,0,2]=4 5588 B13R0.338 C#CCOCC(=O)NCCCCCC 527a_100000210581_100011251226 [0,2,0,0,0,0|0,0,2]=4 5589 B13R0.338 C/C=C/C=CC(=O)CCCCCCC 1458a_100000185730_100000210614 [0,2,0,0,0,0|1,0,1]=4 5590 B13R0.338 C/C=C/C=CC(=O)CCCCCCF 1458a_100000185730_100015922095 [0,2,0,0,0,0|1,0,1]=4 5591 B13R0.338 C/C=C/C=CC(=O)CCCCCCO 1458a_100000185730_100000766143 [0,2,0,0,0,0|1,0,1]=4 5592 B13R0.338 C/C=C/C=CC(=O)CCOCCCC 1458a_100000185730_100000743108 [0,2,0,0,0,0|1,0,1]=4 5593 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 11a_100000210581_100000185730 [0,2,0,0,0,0|1,0,1]=4 5594 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 1626a_100000210581_100000185730 [0,2,0,0,0,0|1,0,1]=4 5595 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 240690a_100000210581_100000185730 [0,2,0,0,0,0|1,0,1]=4 5596 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_100016270725_200011218727 [0,2,0,0,0,0|1,0,1]=4 5597 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_200011215852_100102629194 [0,2,0,0,0,0|1,0,1]=4 5598 B13R0.338 C/C=C/COC(C)CCCCCCC 7a_200011215852_100102629194 [0,2,0,0,0,0|1,0,1]=4 5599 B13R0.338 C=CCCCC(=O)C#CCCCCC 1458a_100011215388_100000757094 [0,2,0,0,0,0|1,0,1]=4 5600 B13R0.338 C=CCCCC(=O)C/C=C/CCCC 1458a_200016282684_100000757094 [0,2,0,0,0,0|1,0,1]=4 5601 B13R0.338 C=CCCCC(=O)C=CCCCCC 1458a_100016263427_100000757094 [0,2,0,0,0,0|1,0,1]=4 5602 B13R0.338 C=CCCCC(=O)CCCCCC#N 1458a_100000766728_100009813376 [0,2,0,0,0,0|1,0,1]=4 5603 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,2,0,0,0,0|1,0,0]=3 5604 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,2,0,0,0,0|1,0,0]=3 5605 B13R0.338 C=CCCCC(=O)CCCCCCF 1458a_100000766728_100015922095 [0,2,0,0,0,0|1,0,0]=3 5606 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100000766728_100000766143 [0,2,0,0,0,0|1,0,0]=3 5607 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100011996774_100000757094 [0,2,0,0,0,0|1,0,0]=3 5608 B13R0.338 C=CCCCC(=O)CCCCCOC 1458a_100011935119_100000757094 [0,2,0,0,0,0|1,0,0]=3 5609 B13R0.338 C=CCCCC(=O)CCOCCCC 1458a_100000766728_100000743108 [0,2,0,0,0,0|1,0,0]=3 5610 B13R0.338 C=CCCCC(=O)CCOCCOC 1458a_100000745395_100000757094 [0,2,0,0,0,0|2,0,0]=4 5611 B13R0.338 C=CCCCC(=O)CCOCCOC 1458a_100000766728_100000695917 [0,2,0,0,0,0|2,0,0]=4 5612 B13R0.338 C=CCCCC(=O)NCCCCCC 11a_100000210581_100000766728 [0,2,0,0,0,0|1,0,0]=3 5613 B13R0.338 C=CCCCC(=O)NCCCCCC 1626a_100000210581_100000766728 [0,2,0,0,0,0|1,0,0]=3 5614 B13R0.338 C=CCCCC(=O)NCCCCCC 240690a_100000210581_100000766728 [0,2,0,0,0,0|1,0,0]=3 5615 B13R0.338 C=CCCCC(=O)NCCCCCC 527a_100000210581_100000766728 [0,2,0,0,0,0|1,0,0]=3 5616 B13R0.338 C=CCCCC(=O)NCCCCCO 240690a_100000762737_100000766728 [0,2,0,0,0,0|2,0,0]=4 5617 B13R0.338 C=CCCCC(=O)NCCCOCC 11a_100000210961_100000766728 [0,2,0,0,0,0|2,0,0]=4 5618 B13R0.338 C=CCCCC(=O)NCCCOCC 1626a_100000210961_100000766728 [0,2,0,0,0,0|2,0,0]=4 5619 B13R0.338 C=CCCCC(=O)NCCCOCC 240690a_100000210961_100000766728 [0,2,0,0,0,0|2,0,0]=4 5620 B13R0.338 C=CCCCC(=O)NCCCOCC 527a_100000210961_100000766728 [0,2,0,0,0,0|2,0,0]=4 5621 B13R0.338 C=CCCCC(=O)NCCOCCC 1626a_100161115042_100000766728 [0,2,0,0,0,0|2,0,0]=4 5622 B13R0.338 C=CCCCC(=O)NCCOCCC 240690a_100161115042_100000766728 [0,2,0,0,0,0|2,0,0]=4 5623 B13R0.338 C=CCCCC(=O)NCCOCCC 527a_100161115042_100000766728 [0,2,0,0,0,0|2,0,0]=4 5624 B13R0.338 C=CCCCC(=O)NCCSCCC 11a_100020603323_100000766728 [0,2,0,0,0,0|2,0,0]=4 5625 B13R0.338 C=CCCCC(=O)NCCSCCC 240690a_100020603323_100000766728 [0,2,0,0,0,0|2,0,0]=4 5626 B13R0.338 C=CCCCC(=O)NCCSCCC 527a_100020603323_100000766728 [0,2,0,0,0,0|2,0,0]=4 5627 B13R0.338 C=CCCCC(=O)NNCCCCC 22a_100000694160_100000766728 [0,2,0,0,0,0|2,0,0]=4 5628 B13R0.338 C=CCCCCCC(=O)CCCC=C 1458a_100000766728_100000700193 [0,2,0,0,0,0|1,0,1]=4 5629 B13R0.338 C=CCCCCCC(=O)CCCC=C 1458a_100011934241_100000757094 [0,2,0,0,0,0|1,0,1]=4 5630 B13R0.338 C=CCCCCCC(=O)CCOC=C 1458a_100011934241_100000039644 [0,2,0,0,0,0|1,0,1]=4 5631 B13R0.338 C=CCCCCCC(=O)CSCC=C 1458a_100000230395_100000700193 [0,2,0,0,0,0|0,1,1]=4 5632 B13R0.338 C=CCCCCCC(=O)NCCC=C 11a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 5633 B13R0.338 C=CCCCCCC(=O)NCCC=C 1626a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 5634 B13R0.338 C=CCCCCCC(=O)NCCC=C 240690a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 5635 B13R0.338 C=CCCCCCC(=O)NCCC=C 527a_100015191253_100011934241 [0,2,0,0,0,0|1,0,1]=4 5636 B13R0.338 C=CCCCCCC(=O)NNCC=C 22a_100020588587_100011934241 [0,2,0,0,0,0|1,0,1]=4 5637 B13R0.338 C=CCCNC(=O)C#CCCCCC 240690a_100015191253_100011215388 [0,2,0,0,0,0|1,0,1]=4 5638 B13R0.338 C=CCCNC(=O)C/C=C/CCCC 11a_100015191253_200016282684 [0,2,0,0,0,0|1,0,1]=4 5639 B13R0.338 C=CCCNC(=O)C/C=C/CCCC 1626a_100015191253_200016282684 [0,2,0,0,0,0|1,0,1]=4 5640 B13R0.338 C=CCCNC(=O)C/C=C/CCCC 240690a_100015191253_200016282684 [0,2,0,0,0,0|1,0,1]=4 5641 B13R0.338 C=CCCNC(=O)C/C=C/CCCC 527a_100015191253_200016282684 [0,2,0,0,0,0|1,0,1]=4 5642 B13R0.338 C=CCCNC(=O)C=CCCCCC 11a_100015191253_100016263427 [0,2,0,0,0,0|1,0,1]=4 5643 B13R0.338 C=CCCNC(=O)C=CCCCCC 1626a_100015191253_100016263427 [0,2,0,0,0,0|1,0,1]=4 5644 B13R0.338 C=CCCNC(=O)C=CCCCCC 240690a_100015191253_100016263427 [0,2,0,0,0,0|1,0,1]=4 5645 B13R0.338 C=CCCNC(=O)CCCCCCC 11a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 5646 B13R0.338 C=CCCNC(=O)CCCCCCC 1626a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 5647 B13R0.338 C=CCCNC(=O)CCCCCCC 240690a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 5648 B13R0.338 C=CCCNC(=O)CCCCCCC 527a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 5649 B13R0.338 C=CCCNC(=O)CCCCCCO 240690a_100015191253_100011996774 [0,2,0,0,0,0|1,0,0]=3 5650 B13R0.338 C=CCCNC(=O)CCCCCOC 11a_100015191253_100011935119 [0,2,0,0,0,0|1,0,0]=3 5651 B13R0.338 C=CCCNC(=O)CCCCCOC 1626a_100015191253_100011935119 [0,2,0,0,0,0|1,0,0]=3 5652 B13R0.338 C=CCCNC(=O)CCCCCOC 240690a_100015191253_100011935119 [0,2,0,0,0,0|1,0,0]=3 5653 B13R0.338 C=CCCNC(=O)CCCCCOC 527a_100015191253_100011935119 [0,2,0,0,0,0|1,0,0]=3 5654 B13R0.338 C=CCCNC(=O)CCOCCOC 11a_100015191253_100000745395 [0,2,0,0,0,0|2,0,0]=4 5655 B13R0.338 C=CCCNC(=O)CCOCCOC 1626a_100015191253_100000745395 [0,2,0,0,0,0|2,0,0]=4 5656 B13R0.338 C=CCCNC(=O)CCOCCOC 240690a_100015191253_100000745395 [0,2,0,0,0,0|2,0,0]=4 5657 B13R0.338 C=CCCNC(=O)CCOCCOC 527a_100015191253_100000745395 [0,2,0,0,0,0|2,0,0]=4 5658 B13R0.338 C=CCCNC(=O)NCCCCCC 2708a_100000210581_100015191253 [0,2,0,0,0,0|1,0,0]=3 5659 B13R0.338 C=CCCNC(=O)NCCCCCC 2708a_100015191253_100000210581 [0,2,0,0,0,0|1,0,0]=3 5660 B13R0.338 C=CCCNC(=O)NCCCCCC 273464a_100000210581_100015191253 [0,2,0,0,0,0|1,0,0]=3 5661 B13R0.338 C=CCCNC(=O)NCCCCCC 273464a_100015191253_100000210581 [0,2,0,0,0,0|1,0,0]=3 5662 B13R0.338 C=CCCNC(=O)NCCCCCC 512a_100000210581_100015191253 [0,2,0,0,0,0|1,0,0]=3 5663 B13R0.338 C=CCCNC(=O)NCCCCCC 512a_100015191253_100000210581 [0,2,0,0,0,0|1,0,0]=3 5664 B13R0.338 C=CCCNC(=O)NCCCCCO 2708a_100015191253_100000762737 [0,2,0,0,0,0|2,0,0]=4 5665 B13R0.338 C=CCCNC(=O)NCCCCCO 273464a_100000762737_100015191253 [0,2,0,0,0,0|2,0,0]=4 5666 B13R0.338 C=CCCNC(=O)NCCCCCO 273464a_100015191253_100000762737 [0,2,0,0,0,0|2,0,0]=4 5667 B13R0.338 C=CCCNC(=O)NCCCCCO 512a_100000762737_100015191253 [0,2,0,0,0,0|2,0,0]=4 5668 B13R0.338 C=CCCNC(=O)NCCCCCO 512a_100015191253_100000762737 [0,2,0,0,0,0|2,0,0]=4 5669 B13R0.338 C=CCCNC(=O)NCCCOCC 2708a_100000210961_100015191253 [0,2,0,0,0,0|2,0,0]=4 5670 B13R0.338 C=CCCNC(=O)NCCCOCC 2708a_100015191253_100000210961 [0,2,0,0,0,0|2,0,0]=4 5671 B13R0.338 C=CCCNC(=O)NCCCOCC 273464a_100000210961_100015191253 [0,2,0,0,0,0|2,0,0]=4 5672 B13R0.338 C=CCCNC(=O)NCCCOCC 273464a_100015191253_100000210961 [0,2,0,0,0,0|2,0,0]=4 5673 B13R0.338 C=CCCNC(=O)NCCCOCC 512a_100000210961_100015191253 [0,2,0,0,0,0|2,0,0]=4 5674 B13R0.338 C=CCCNC(=O)NCCCOCC 512a_100015191253_100000210961 [0,2,0,0,0,0|2,0,0]=4 5675 B13R0.338 C=CCCNC(=O)NCCOCCC 2708a_100015191253_100161115042 [0,2,0,0,0,0|2,0,0]=4 5676 B13R0.338 C=CCCNC(=O)NCCOCCC 2708a_100161115042_100015191253 [0,2,0,0,0,0|2,0,0]=4 5677 B13R0.338 C=CCCNC(=O)NCCOCCC 273464a_100015191253_100161115042 [0,2,0,0,0,0|2,0,0]=4 5678 B13R0.338 C=CCCNC(=O)NCCOCCC 273464a_100161115042_100015191253 [0,2,0,0,0,0|2,0,0]=4 5679 B13R0.338 C=CCCNC(=O)NCCOCCC 512a_100015191253_100161115042 [0,2,0,0,0,0|2,0,0]=4 5680 B13R0.338 C=CCCNC(=O)NCCOCCC 512a_100161115042_100015191253 [0,2,0,0,0,0|2,0,0]=4 5681 B13R0.338 C=CCCNC(=O)NCCSCCC 2708a_100015191253_100020603323 [0,2,0,0,0,0|2,0,0]=4 5682 B13R0.338 C=CCCNC(=O)NCCSCCC 2708a_100020603323_100015191253 [0,2,0,0,0,0|2,0,0]=4 5683 B13R0.338 C=CCCNC(=O)NCCSCCC 273464a_100015191253_100020603323 [0,2,0,0,0,0|2,0,0]=4 5684 B13R0.338 C=CCCNC(=O)NCCSCCC 273464a_100020603323_100015191253 [0,2,0,0,0,0|2,0,0]=4 5685 B13R0.338 C=CCCNC(=O)NCCSCCC 512a_100015191253_100020603323 [0,2,0,0,0,0|2,0,0]=4 5686 B13R0.338 C=CCCNC(=O)NCCSCCC 512a_100020603323_100015191253 [0,2,0,0,0,0|2,0,0]=4 5687 B13R0.338 C=CCCNC(=O)NNCCCCC 273464a_100015191253_100000694160 [0,2,0,0,0,0|2,0,0]=4 5688 B13R0.338 C=CCCNC(=O)NNCCCCC 512a_100000694160_100015191253 [0,2,0,0,0,0|2,0,0]=4 5689 B13R0.338 C=CCCNC(=O)NNCCCCC 512a_100015191253_100000694160 [0,2,0,0,0,0|2,0,0]=4 5690 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,2,0,0,0,0|1,0,1]=4 5691 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 5692 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 5693 B13R0.338 C=CCNCC(=O)NCCCCCC 2230a_100020586998_100000230325 [0,2,0,0,0,0|1,0,0]=3 5694 B13R0.338 C=CCNNC(=O)C#CCCCCC 22a_100020588587_100011215388 [0,2,0,0,0,0|1,0,1]=4 5695 B13R0.338 C=CCNNC(=O)C/C=C/CCCC 22a_100020588587_200016282684 [0,2,0,0,0,0|1,0,1]=4 5696 B13R0.338 C=CCNNC(=O)C=CCCCCC 22a_100020588587_100016263427 [0,2,0,0,0,0|1,0,1]=4 5697 B13R0.338 C=CCNNC(=O)CCCCCCC 22a_100020588587_100000211969 [0,2,0,0,0,0|1,0,0]=3 5698 B13R0.338 C=CCNNC(=O)CCCCCOC 22a_100020588587_100011935119 [0,2,0,0,0,0|1,0,0]=3 5699 B13R0.338 C=CCNNC(=O)CCOCCOC 22a_100020588587_100000745395 [0,2,0,0,0,0|2,0,0]=4 5700 B13R0.338 C=CCNNC(=O)NCCCCCC 273464a_100000210581_100020588587 [0,2,0,0,0,0|1,0,0]=3 5701 B13R0.338 C=CCNNC(=O)NCCCCCC 512a_100000210581_100020588587 [0,2,0,0,0,0|1,0,0]=3 5702 B13R0.338 C=CCNNC(=O)NCCCCCC 512a_100020588587_100000210581 [0,2,0,0,0,0|1,0,0]=3 5703 B13R0.338 C=CCNNC(=O)NCCCCCO 273464a_100000762737_100020588587 [0,2,0,0,0,0|2,0,0]=4 5704 B13R0.338 C=CCNNC(=O)NCCCCCO 512a_100000762737_100020588587 [0,2,0,0,0,0|2,0,0]=4 5705 B13R0.338 C=CCNNC(=O)NCCCCCO 512a_100020588587_100000762737 [0,2,0,0,0,0|2,0,0]=4 5706 B13R0.338 C=CCNNC(=O)NCCCOCC 273464a_100000210961_100020588587 [0,2,0,0,0,0|2,0,0]=4 5707 B13R0.338 C=CCNNC(=O)NCCCOCC 512a_100000210961_100020588587 [0,2,0,0,0,0|2,0,0]=4 5708 B13R0.338 C=CCNNC(=O)NCCCOCC 512a_100020588587_100000210961 [0,2,0,0,0,0|2,0,0]=4 5709 B13R0.338 C=CCNNC(=O)NCCOCCC 273464a_100161115042_100020588587 [0,2,0,0,0,0|2,0,0]=4 5710 B13R0.338 C=CCNNC(=O)NCCOCCC 512a_100020588587_100161115042 [0,2,0,0,0,0|2,0,0]=4 5711 B13R0.338 C=CCNNC(=O)NCCOCCC 512a_100161115042_100020588587 [0,2,0,0,0,0|2,0,0]=4 5712 B13R0.338 C=CCNNC(=O)NCCSCCC 273464a_100020603323_100020588587 [0,2,0,0,0,0|2,0,0]=4 5713 B13R0.338 C=CCNNC(=O)NCCSCCC 512a_100020588587_100020603323 [0,2,0,0,0,0|2,0,0]=4 5714 B13R0.338 C=CCNNC(=O)NCCSCCC 512a_100020603323_100020588587 [0,2,0,0,0,0|2,0,0]=4 5715 B13R0.338 C=CCNNC(=O)NNCCCCC 512a_100000694160_100020588587 [0,2,0,0,0,0|2,0,0]=4 5716 B13R0.338 C=CCNNC(=O)NNCCCCC 512a_100020588587_100000694160 [0,2,0,0,0,0|2,0,0]=4 5717 B13R0.338 C=CCOCC(=O)NCCCCCC 34a_200000210373_100000230325 [0,2,0,0,0,0|0,0,0]=2 5718 B13R0.338 C=CCSCC(=O)CCCCCC#N 1458a_100000230395_100009813376 [0,2,0,0,0,0|0,1,1]=4 5719 B13R0.338 C=CCSCC(=O)CCCCCCC 1458a_100000230395_100000210614 [0,2,0,0,0,0|0,1,0]=3 5720 B13R0.338 C=CCSCC(=O)CCCCCCF 1458a_100000230395_100015922095 [0,2,0,0,0,0|0,1,0]=3 5721 B13R0.338 C=CCSCC(=O)CCCCCCO 1458a_100000230395_100000766143 [0,2,0,0,0,0|0,1,0]=3 5722 B13R0.338 C=CCSCC(=O)CCOCCCC 1458a_100000230395_100000743108 [0,2,0,0,0,0|0,1,0]=3 5723 B13R0.338 C=CCSCC(=O)CCOCCOC 1458a_100000230395_100000695917 [0,2,0,0,0,0|1,1,0]=4 5724 B13R0.338 C=CCSCC(=O)NCCCCCC 11a_100000210581_100000230395 [0,2,0,0,0,0|0,1,0]=3 5725 B13R0.338 C=CCSCC(=O)NCCCCCC 1626a_100000210581_100000230395 [0,2,0,0,0,0|0,1,0]=3 5726 B13R0.338 C=CCSCC(=O)NCCCCCC 240690a_100000210581_100000230395 [0,2,0,0,0,0|0,1,0]=3 5727 B13R0.338 C=CCSCC(=O)NCCCCCC 527a_100000210581_100000230395 [0,2,0,0,0,0|0,1,0]=3 5728 B13R0.338 C=CCSCC(=O)NCCCCCC 62a_100000230325_100000210623 [0,2,0,0,0,0|0,1,0]=3 5729 B13R0.338 C=CCSCC(=O)NCCCCCO 240690a_100000762737_100000230395 [0,2,0,0,0,0|1,1,0]=4 5730 B13R0.338 C=CCSCC(=O)NCCCOCC 11a_100000210961_100000230395 [0,2,0,0,0,0|1,1,0]=4 5731 B13R0.338 C=CCSCC(=O)NCCCOCC 1626a_100000210961_100000230395 [0,2,0,0,0,0|1,1,0]=4 5732 B13R0.338 C=CCSCC(=O)NCCCOCC 240690a_100000210961_100000230395 [0,2,0,0,0,0|1,1,0]=4 5733 B13R0.338 C=CCSCC(=O)NCCCOCC 527a_100000210961_100000230395 [0,2,0,0,0,0|1,1,0]=4 5734 B13R0.338 C=CCSCC(=O)NCCOCCC 1626a_100161115042_100000230395 [0,2,0,0,0,0|1,1,0]=4 5735 B13R0.338 C=CCSCC(=O)NCCOCCC 240690a_100161115042_100000230395 [0,2,0,0,0,0|1,1,0]=4 5736 B13R0.338 C=CCSCC(=O)NCCOCCC 527a_100161115042_100000230395 [0,2,0,0,0,0|1,1,0]=4 5737 B13R0.338 C=CCSCC(=O)NCCSCCC 11a_100020603323_100000230395 [0,2,0,0,0,0|1,1,0]=4 5738 B13R0.338 C=CCSCC(=O)NCCSCCC 240690a_100020603323_100000230395 [0,2,0,0,0,0|1,1,0]=4 5739 B13R0.338 C=CCSCC(=O)NCCSCCC 527a_100020603323_100000230395 [0,2,0,0,0,0|1,1,0]=4 5740 B13R0.338 C=CCSCC(=O)NNCCCCC 22a_100000694160_100000230395 [0,2,0,0,0,0|1,1,0]=4 5741 B13R0.338 C=COCCC(=O)C#CCCCCC 1458a_100011215388_100000039644 [0,2,0,0,0,0|1,0,1]=4 5742 B13R0.338 C=COCCC(=O)C/C=C/CCCC 1458a_200016282684_100000039644 [0,2,0,0,0,0|1,0,1]=4 5743 B13R0.338 C=COCCC(=O)C=CCCCCC 1458a_100016263427_100000039644 [0,2,0,0,0,0|1,0,1]=4 5744 B13R0.338 C=COCCC(=O)CCCCCCC 1458a_100000211969_100000039644 [0,2,0,0,0,0|1,0,0]=3 5745 B13R0.338 C=COCCC(=O)CCCCCCO 1458a_100011996774_100000039644 [0,2,0,0,0,0|1,0,0]=3 5746 B13R0.338 C=COCCC(=O)CCCCCOC 1458a_100011935119_100000039644 [0,2,0,0,0,0|1,0,0]=3 5747 B13R0.338 C=COCCC(=O)CCOCCOC 1458a_100000745395_100000039644 [0,2,0,0,0,0|2,0,0]=4 5748 B13R0.338 CC=CCOC(C)CCCCCCC 34a_200011215852_100000070051 [0,2,0,0,0,0|1,0,1]=4 5749 B13R0.338 CC=CCOC(C)CCCCCCC 7a_200011215852_100000070051 [0,2,0,0,0,0|1,0,1]=4 5750 B13R0.338 CCCCCCCC(=O)COCCC 1458a_100000745993_100000210614 [0,2,0,0,0,0|0,0,2]=4 5751 B13R0.338 CCCCCCCC(=O)COCCO 1458a_100000708028_100000210614 [0,2,0,0,0,0|1,0,1]=4 5752 B13R0.338 CCCCCCCC(=O)OCNCC 2230a_100015525214_100009852258 [0,2,0,0,0,0|0,0,2]=4 5753 B13R0.338 CCCCCCCC(=O)OCOCC 34a_100121572206_100009852258 [0,2,0,0,0,0|0,0,2]=4 5754 B13R0.338 CCCCCCCC(=O)OCSCC 62a_100000210202_100009852258 [0,2,0,0,0,0|0,0,2]=4 5755 B13R0.338 CCCCCCCC(=O)OCSCF 62a_100015361967_100009852258 [0,2,0,0,0,0|1,0,1]=4 5756 B13R0.338 CCCCCCNC(=O)COCCBr 34a_100000211926_100000230325 [0,2,0,0,0,0|1,0,1]=4 5757 B13R0.338 CCCCCCNC(=O)COCCC 11a_100000210581_100000745993 [0,2,0,0,0,0|0,0,2]=4 5758 B13R0.338 CCCCCCNC(=O)COCCC 1626a_100000210581_100000745993 [0,2,0,0,0,0|0,0,2]=4 5759 B13R0.338 CCCCCCNC(=O)COCCC 240690a_100000210581_100000745993 [0,2,0,0,0,0|0,0,2]=4 5760 B13R0.338 CCCCCCNC(=O)COCCC 34a_100000210258_100000230325 [0,2,0,0,0,0|0,0,2]=4 5761 B13R0.338 CCCCCCNC(=O)COCCC 527a_100000210581_100000745993 [0,2,0,0,0,0|0,0,2]=4 5762 B13R0.338 CCCCCCNC(=O)COCCN 34a_100000210304_100000230325 [0,2,0,0,0,0|1,0,1]=4 5763 B13R0.338 CCCCCCNC(=O)COCCO 1626a_100000210581_100000708028 [0,2,0,0,0,0|1,0,1]=4 5764 B13R0.338 CCCCCCNC(=O)COCCO 240690a_100000210581_100000708028 [0,2,0,0,0,0|1,0,1]=4 5765 B13R0.338 CCCCCCNC(=O)CSCC=O 62a_100000230325_200015260668 [0,2,0,0,0,0|1,1,0]=4 5766 B13R0.338 CCCCCNCC(=O)OCCCC 2230a_100000209983_100000211628 [0,2,0,0,0,0|0,0,2]=4 5767 B13R0.338 CCCCCNCC(=O)OCCOC 2230a_100000209983_200000040189 [0,2,0,0,0,0|0,0,2]=4 5768 B13R0.338 CCCCCOCC(=O)OCCCC 34a_100000210253_100000211628 [0,2,0,0,0,0|0,0,2]=4 5769 B13R0.338 CCCCCOCC(=O)OCCCC 7a_100000210253_100000211628 [0,2,0,0,0,0|0,0,2]=4 5770 B13R0.338 CCCCCOCC(=O)OCCOC 34a_100000210253_200000040189 [0,2,0,0,0,0|0,0,2]=4 5771 B13R0.338 CCCCCOCC(=O)OCCOC 7a_100000210253_200000040189 [0,2,0,0,0,0|0,0,2]=4 5772 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000210326_100000211628 [0,2,0,0,0,0|0,0,2]=4 5773 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000211628_100000210326 [0,2,0,0,0,0|0,0,2]=4 5774 B13R0.338 CCCCCSCC(=O)OCCOC 62a_100000210326_200000040189 [0,2,0,0,0,0|0,0,2]=4 5775 B13R0.338 CCCCCSCC(=O)OCCOC 62a_200000040189_100000210326 [0,2,0,0,0,0|0,0,2]=4 5776 B13R0.338 CCCCOCCC(=O)COCCC 1458a_100000745993_100000743108 [0,2,0,0,0,0|0,0,2]=4 5777 B13R0.338 CCCCOCCC(=O)COCCO 1458a_100000708028_100000743108 [0,2,0,0,0,0|1,0,1]=4 5778 B13R0.338 CCCOCC(=O)CCCCCCF 1458a_100000745993_100015922095 [0,2,0,0,0,0|0,0,2]=4 5779 B13R0.338 CCCOCC(=O)CCCCCCO 1458a_100000745993_100000766143 [0,2,0,0,0,0|0,0,2]=4 5780 B13R0.338 O=C(CCCCCCF)COCCO 1458a_100000708028_100015922095 [0,2,0,0,0,0|1,0,1]=4 5781 B13R0.338 O=C(CCCCCCO)COCCO 1458a_100000708028_100000766143 [0,2,0,0,0,0|1,0,1]=4 5782 B13R0.398 C#CCOCC(=O)C(C)CCCCC 1458a_100011251226_200011218191 [0,2,0,0,0,0|0,0,2]=4 5783 B13R0.398 C/C=C/C=CC(=O)C(C)CCCCC 1458a_100000185730_200011218191 [0,2,0,0,0,0|1,0,1]=4 5784 B13R0.398 C=CCCCC(=O)C(C)CCCCC 1458a_100000766728_200011218191 [0,2,0,0,0,0|1,0,0]=3 5785 B13R0.398 C=CCCCC(=O)C(C)CCCCC 1458a_100011215998_100000757094 [0,2,0,0,0,0|1,0,0]=3 5786 B13R0.398 C=CCCCC(=O)C(C)SCCCC 1458a_100000191163_100000757094 [0,2,0,0,0,0|2,0,0]=4 5787 B13R0.398 C=CCCCC(=O)N(C)CCCCC 11a_100000223495_100000766728 [0,2,0,0,0,0|2,0,0]=4 5788 B13R0.398 C=CCCCC(=O)N(C)CCCCC 1626a_100000223495_100000766728 [0,2,0,0,0,0|2,0,0]=4 5789 B13R0.398 C=CCCCC(=O)N(C)CCCCC 240690a_100000223495_100000766728 [0,2,0,0,0,0|2,0,0]=4 5790 B13R0.398 C=CCCCC(=O)N(C)CCCCC 527a_100000223495_100000766728 [0,2,0,0,0,0|2,0,0]=4 5791 B13R0.398 C=CCCNC(=O)C(C)CCCCC 11a_100015191253_100011215998 [0,2,0,0,0,0|1,0,0]=3 5792 B13R0.398 C=CCCNC(=O)C(C)CCCCC 1626a_100015191253_100011215998 [0,2,0,0,0,0|1,0,0]=3 5793 B13R0.398 C=CCCNC(=O)C(C)CCCCC 240690a_100015191253_100011215998 [0,2,0,0,0,0|1,0,0]=3 5794 B13R0.398 C=CCCNC(=O)C(C)CCCCC 527a_100015191253_100011215998 [0,2,0,0,0,0|1,0,0]=3 5795 B13R0.398 C=CCCNC(=O)C(C)SCCCC 11a_100015191253_100000191163 [0,2,0,0,0,0|2,0,0]=4 5796 B13R0.398 C=CCCNC(=O)C(C)SCCCC 1626a_100015191253_100000191163 [0,2,0,0,0,0|2,0,0]=4 5797 B13R0.398 C=CCCNC(=O)C(C)SCCCC 240690a_100015191253_100000191163 [0,2,0,0,0,0|2,0,0]=4 5798 B13R0.398 C=CCCNC(=O)C(C)SCCCC 527a_100015191253_100000191163 [0,2,0,0,0,0|2,0,0]=4 5799 B13R0.398 C=CCCNC(=O)N(C)CCCCC 2708a_100015191253_100000223495 [0,2,0,0,0,0|2,0,0]=4 5800 B13R0.398 C=CCCNC(=O)N(C)CCCCC 273464a_100015191253_100000223495 [0,2,0,0,0,0|2,0,0]=4 5801 B13R0.398 C=CCNNC(=O)C(C)CCCCC 22a_100020588587_100011215998 [0,2,0,0,0,0|1,0,0]=3 5802 B13R0.398 C=CCNNC(=O)C(C)SCCCC 22a_100020588587_100000191163 [0,2,0,0,0,0|2,0,0]=4 5803 B13R0.398 C=CCSCC(=O)C(C)CCCCC 1458a_100000230395_200011218191 [0,2,0,0,0,0|0,1,0]=3 5804 B13R0.398 C=CCSCC(=O)N(C)CCCCC 11a_100000223495_100000230395 [0,2,0,0,0,0|1,1,0]=4 5805 B13R0.398 C=CCSCC(=O)N(C)CCCCC 1626a_100000223495_100000230395 [0,2,0,0,0,0|1,1,0]=4 5806 B13R0.398 C=CCSCC(=O)N(C)CCCCC 240690a_100000223495_100000230395 [0,2,0,0,0,0|1,1,0]=4 5807 B13R0.398 C=CCSCC(=O)N(C)CCCCC 527a_100000223495_100000230395 [0,2,0,0,0,0|1,1,0]=4 5808 B13R0.398 C=COCCC(=O)C(C)CCCCC 1458a_100011215998_100000039644 [0,2,0,0,0,0|1,0,0]=3 5809 B13R0.398 C=COCCC(=O)C(C)SCCCC 1458a_100000191163_100000039644 [0,2,0,0,0,0|2,0,0]=4 5810 B13R0.398 CCCCCC(C)C(=O)COCCC 1458a_100000745993_200011218191 [0,2,0,0,0,0|0,0,2]=4 5811 B13R0.398 CCCCCC(C)C(=O)COCCO 1458a_100000708028_200011218191 [0,2,0,0,0,0|1,0,1]=4 5812 B13R0.1129 C/C=C/COC(C)(C)CCCCCC 7a_200011995690_100102629194 [0,2,0,0,0,0|1,0,1]=4 5813 B13R0.1129 C=CCCNS(=O)(=O)CCCCCC 270084a_100015191253_100011361803 [0,2,0,0,0,0|2,0,0]=4 5814 B13R0.1129 C=CCCNS(=O)(=O)CCCCCC 274078a_100015191253_100011361803 [0,2,0,0,0,0|2,0,0]=4 5815 B13R0.1129 C=CCCOC(C)(C)CCCCCC 7a_200011995690_100000754431 [0,2,0,0,0,0|1,0,1]=4 5816 B13R0.1129 CC=CCOC(C)(C)CCCCCC 7a_200011995690_100000070051 [0,2,0,0,0,0|1,0,1]=4 5817 B13R0.1170 C=C(C#N)COC(C)CCCCCC 34a_100000210265_100000694840 [0,2,0,0,0,0|1,0,1]=4 5818 B13R0.1170 C=CC(=NNC(=O)CCCCCC)C 4a_100011221127_200015361842 [0,2,0,0,0,0|1,0,1]=4 5819 B13R0.1170 C=CC(=O)NCC(=O)CCCCCC 1458a_200011222540_100000210757 [0,2,0,0,0,0|1,0,1]=4 5820 B13R0.1170 C=CC(=O)NNC(=O)CCCCCC 22a_100011221127_100000185746 [0,2,0,0,0,0|1,0,1]=4 5821 B13R0.1170 C=CC(C)COC(C)CCCCCC 34a_100011215527_100011215978 [0,2,0,0,0,0|1,0,1]=4 5822 B13R0.1170 C=CC(C)COC(C)CCCCCC 7a_100011215527_100011215978 [0,2,0,0,0,0|1,0,1]=4 5823 B13R0.1170 C=CC(C)OCC(=O)NCCCCC 34a_100000695699_100000230301 [0,2,0,0,0,0|1,0,0]=3 5824 B13R0.1170 C=CC(C)OCC(=O)NCCCOC 34a_100000695699_100000183178 [0,2,0,0,0,0|2,0,0]=4 5825 B13R0.1170 C=CC(C)OCC(=O)OCCOCC 34a_100000695699_200000101388 [0,2,0,0,0,0|2,0,0]=4 5826 B13R0.1170 C=CC(C)SCC(=O)NCCCCC 62a_100011215867_100000230301 [0,2,0,0,0,0|1,1,0]=4 5827 B13R0.1170 C=CC(O)COC(C)CCCCCC 34a_100000210265_100000730141 [0,2,0,0,0,0|1,0,1]=4 5828 B13R0.1170 C=CC(O)COC(C)CCCCCC 7a_100000210265_100000730141 [0,2,0,0,0,0|1,0,1]=4 5829 B13R0.1170 C=C[C@H](N)COC(C)CCCCCC 34a_100016989147_100011215978 [0,2,0,0,0,0|1,0,1]=4 5830 B13R0.1170 CC=C(C)C=CC(=O)CCCCCC 1458a_100000692105_100000210757 [0,2,0,0,0,0|1,0,1]=4 5831 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|1,0,1]=4 5832 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|1,0,1]=4 5833 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 11a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 5834 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 5835 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 527a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 5836 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [0,2,0,0,0,0|1,0,1]=4 5837 B13R0.1171 C=CC=CC(=O)C(C)CCCCCC 1458a_100016291481_100011215978 [0,2,0,0,0,0|1,0,1]=4 5838 B13R0.1171 C=CC=CC(=O)N(C)CCCCCC 1626a_106256046315_100016291481 [0,2,0,0,0,0|1,0,1]=4 5839 B13R0.1171 C=CCCC(=O)C(C)CCCCCC 1458a_100000749702_100011215978 [0,2,0,0,0,0|1,0,0]=3 5840 B13R0.1171 C=CCCC(=O)C(C)OCCOCC 1458a_100000743585_100000754431 [0,2,0,0,0,0|2,0,0]=4 5841 B13R0.1171 C=CCCC(=O)C(O)CCCCCC 1458a_100011215828_100000754431 [0,2,0,0,0,0|1,0,0]=3 5842 B13R0.1171 C=CCCC(=O)N(C)CCCCCC 11a_106256046315_100000749702 [0,2,0,0,0,0|1,0,0]=3 5843 B13R0.1171 C=CCCC(=O)N(C)CCCCCC 1626a_106256046315_100000749702 [0,2,0,0,0,0|1,0,0]=3 5844 B13R0.1171 C=CCCC(=O)N(C)CCCCCC 240690a_106256046315_100000749702 [0,2,0,0,0,0|1,0,0]=3 5845 B13R0.1171 C=CCCC(=O)N(C)CCCCCC 527a_106256046315_100000749702 [0,2,0,0,0,0|1,0,0]=3 5846 B13R0.1171 C=CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000749702 [0,2,0,0,0,0|2,0,0]=4 5847 B13R0.1171 C=CCCN(C)C(=O)CCCCCC 11a_100020639649_100102632555 [0,2,0,0,0,0|1,0,0]=3 5848 B13R0.1171 C=CCCN(C)C(=O)CCCCCC 1626a_100020639649_100102632555 [0,2,0,0,0,0|1,0,0]=3 5849 B13R0.1171 C=CCCN(C)C(=O)CCCCCC 240690a_100020639649_100102632555 [0,2,0,0,0,0|1,0,0]=3 5850 B13R0.1171 C=CCCN(C)C(=O)CCCCCC 527a_100020639649_100102632555 [0,2,0,0,0,0|1,0,0]=3 5851 B13R0.1171 C=CCCN(C)C(=O)CCCCCO 240690a_100020639649_100102619762 [0,2,0,0,0,0|2,0,0]=4 5852 B13R0.1171 C=CCCN(C)C(=O)COCCCC 11a_100020639649_100000757543 [0,2,0,0,0,0|2,0,0]=4 5853 B13R0.1171 C=CCCN(C)C(=O)COCCCC 1626a_100020639649_100000757543 [0,2,0,0,0,0|2,0,0]=4 5854 B13R0.1171 C=CCCN(C)C(=O)COCCCC 240690a_100020639649_100000757543 [0,2,0,0,0,0|2,0,0]=4 5855 B13R0.1171 C=CCCN(C)C(=O)COCCCC 527a_100020639649_100000757543 [0,2,0,0,0,0|2,0,0]=4 5856 B13R0.1171 C=CCCN(C)C(=O)CSCCCC 11a_100020639649_100000191162 [0,2,0,0,0,0|2,0,0]=4 5857 B13R0.1171 C=CCCN(C)C(=O)CSCCCC 1626a_100020639649_100000191162 [0,2,0,0,0,0|2,0,0]=4 5858 B13R0.1171 C=CCCN(C)C(=O)CSCCCC 240690a_100020639649_100000191162 [0,2,0,0,0,0|2,0,0]=4 5859 B13R0.1171 C=CCCN(C)C(=O)CSCCCC 527a_100020639649_100000191162 [0,2,0,0,0,0|2,0,0]=4 5860 B13R0.1171 C=CCCN(C)C(=O)NCCCCC 2708a_100000209983_100020639649 [0,2,0,0,0,0|2,0,0]=4 5861 B13R0.1171 C=CCCN(C)C(=O)NCCCCC 273464a_100000209983_100020639649 [0,2,0,0,0,0|2,0,0]=4 5862 B13R0.1171 C=CCNC(=O)C(C)NCCCCC 2230a_100000209983_100000230288 [0,2,0,0,0,0|1,0,0]=3 5863 B13R0.1171 C=CCNC(=O)C(C)NCCCCO 2230a_100000750430_100000230288 [0,2,0,0,0,0|2,0,0]=4 5864 B13R0.1171 C=CCNC(=O)C(C)NCCCSC 2230a_100000749238_100000230288 [0,2,0,0,0,0|2,0,0]=4 5865 B13R0.1171 C=CCNC(=O)C(C)NCCOCC 2230a_102516460346_100000230288 [0,2,0,0,0,0|2,0,0]=4 5866 B13R0.1171 C=CCNC(=O)C(C)NCCSCC 2230a_100000106463_100000230288 [0,2,0,0,0,0|2,0,0]=4 5867 B13R0.1171 C=CCNC(=O)C(C)OCCCCC 7a_100000210253_100000230288 [0,2,0,0,0,0|1,0,0]=3 5868 B13R0.1171 C=CCNC(=O)C(C)OCCCCCl 7a_100000210776_100000230288 [0,2,0,0,0,0|2,0,0]=4 5869 B13R0.1171 C=CCNC(=O)C(C)OCCCCF 7a_100011995726_100000230288 [0,2,0,0,0,0|2,0,0]=4 5870 B13R0.1171 C=CCNC(=O)C(C)OCCCSC 7a_100000690336_100000230288 [0,2,0,0,0,0|2,0,0]=4 5871 B13R0.1171 C=CCNC(=O)C(C)OCCOCC 1626a_100020586998_100000743585 [0,2,0,0,0,0|2,0,0]=4 5872 B13R0.1171 C=CCNC(=O)C(C)OCCOCC 240690a_100020586998_100000743585 [0,2,0,0,0,0|2,0,0]=4 5873 B13R0.1171 C=CCNC(=O)C(C)OCCOCC 527a_100020586998_100000743585 [0,2,0,0,0,0|2,0,0]=4 5874 B13R0.1171 C=CCNC(=O)C(C)OCCOCC 7a_100000210136_100000230288 [0,2,0,0,0,0|2,0,0]=4 5875 B13R0.1171 C=CCNC(=O)C(C)OCCSCC 7a_100000212035_100000230288 [0,2,0,0,0,0|2,0,0]=4 5876 B13R0.1171 C=CCNC(=O)C(C)SCCCCC 62a_100000210326_100000230288 [0,2,0,0,0,0|1,0,0]=3 5877 B13R0.1171 C=CCNC(=O)C(C)SCCCCC 62a_100000230288_100000210326 [0,2,0,0,0,0|1,0,0]=3 5878 B13R0.1171 C=CCNC(=O)C(C)SCCCCF 62a_100000230288_100000729493 [0,2,0,0,0,0|2,0,0]=4 5879 B13R0.1171 C=CCNC(=O)C(C)SCCCCF 62a_100000729493_100000230288 [0,2,0,0,0,0|2,0,0]=4 5880 B13R0.1171 C=CCNC(=O)C(C)SCCCCO 62a_100000210776_100000230288 [0,2,0,0,0,0|2,0,0]=4 5881 B13R0.1171 C=CCNC(=O)C(C)SCCCCO 62a_100000230288_100000210776 [0,2,0,0,0,0|2,0,0]=4 5882 B13R0.1171 C=CCNC(=O)C(C)SCCCOC 62a_100000230288_100000709357 [0,2,0,0,0,0|2,0,0]=4 5883 B13R0.1171 C=CCNC(=O)C(C)SCCCOC 62a_100000709357_100000230288 [0,2,0,0,0,0|2,0,0]=4 5884 B13R0.1171 C=CCNC(=O)C(C)SCCOCC 62a_100000210147_100000230288 [0,2,0,0,0,0|2,0,0]=4 5885 B13R0.1171 C=CCNC(=O)C(C)SCCOCC 62a_100000230288_100011215890 [0,2,0,0,0,0|2,0,0]=4 5886 B13R0.1171 C=CCNC(=O)C(C)SCCSCC 62a_100000230288_100000757381 [0,2,0,0,0,0|2,0,0]=4 5887 B13R0.1171 C=CCNC(=O)C(C)SCCSCC 62a_100000757381_100000230288 [0,2,0,0,0,0|2,0,0]=4 5888 B13R0.1171 C=CCNC(=O)C(O)CCCCCC 240690a_100020586998_100011215828 [0,2,0,0,0,0|1,0,0]=3 5889 B13R0.1171 C=CCNC(=O)N(C)CCCCCC 273464a_100020586998_106256046315 [0,2,0,0,0,0|1,0,0]=3 5890 B13R0.1171 C=CCNC(=O)N(C)CCCCCO 273464a_100020586998_100000722520 [0,2,0,0,0,0|2,0,0]=4 5891 B13R0.1171 C=CCNC(C)C(=O)NCCCCC 2230a_100020586998_100000735910 [0,2,0,0,0,0|2,0,0]=4 5892 B13R0.1171 C=CCSC(C)C(=O)CCCCCC 1458a_100000230602_100000210757 [0,2,0,0,0,0|0,1,0]=3 5893 B13R0.1171 C=CCSC(C)C(=O)CCCCCF 1458a_100000230602_100000729378 [0,2,0,0,0,0|1,1,0]=4 5894 B13R0.1171 C=CCSC(C)C(=O)CCCCCO 1458a_100000230602_100000746330 [0,2,0,0,0,0|1,1,0]=4 5895 B13R0.1171 C=CCSC(C)C(=O)CCCCOC 1458a_100000230602_100000755781 [0,2,0,0,0,0|1,1,0]=4 5896 B13R0.1171 C=CCSC(C)C(=O)CCCOCC 1458a_100000230602_100012232248 [0,2,0,0,0,0|1,1,0]=4 5897 B13R0.1171 C=CCSC(C)C(=O)CCOCCC 1458a_100000230602_100011215938 [0,2,0,0,0,0|1,1,0]=4 5898 B13R0.1171 C=CCSC(C)C(=O)COCCCC 1458a_100000230602_100011995733 [0,2,0,0,0,0|1,1,0]=4 5899 B13R0.1171 C=CCSC(C)C(=O)NCCCCC 11a_100000209983_100000230602 [0,2,0,0,0,0|1,1,0]=4 5900 B13R0.1171 C=CCSC(C)C(=O)NCCCCC 1626a_100000209983_100000230602 [0,2,0,0,0,0|1,1,0]=4 5901 B13R0.1171 C=CCSC(C)C(=O)NCCCCC 240690a_100000209983_100000230602 [0,2,0,0,0,0|1,1,0]=4 5902 B13R0.1171 C=CCSC(C)C(=O)NCCCCC 527a_100000209983_100000230602 [0,2,0,0,0,0|1,1,0]=4 5903 B13R0.1171 C=CCSC(C)C(=O)NCCCCC 62a_100000210623_100000735910 [0,2,0,0,0,0|1,1,0]=4 5904 B13R0.1171 C=CCSC(C)C(=O)NCCCCC 62a_100000735910_100000210623 [0,2,0,0,0,0|1,1,0]=4 5905 B13R0.1171 CCCCCNC(C)C(=O)OCCC 2230a_100000209983_100000760410 [0,2,0,0,0,0|0,0,2]=4 5906 B13R0.1171 CCCCCOC(C)C(=O)OCCC 34a_100000037348_100000718602 [0,2,0,0,0,0|0,0,2]=4 5907 B13R0.1171 CCCCCOC(C)C(=O)OCCC 34a_100000210253_100000760410 [0,2,0,0,0,0|0,0,2]=4 5908 B13R0.1171 CCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210326 [0,2,0,0,0,0|0,0,2]=4 5909 B13R0.1171 CCCCCOC(C)C(=O)OCCC 7a_100000210253_100000760410 [0,2,0,0,0,0|0,0,2]=4 5910 B13R0.1171 CCCCCSC(C)C(=O)OCCC 62a_100000210326_100000760410 [0,2,0,0,0,0|0,0,2]=4 5911 B13R0.1171 CCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210326 [0,2,0,0,0,0|0,0,2]=4 5912 B13R0.71 C=CC(C)CC(=O)CCCCC(=O)C 1458a_100011934298_100000735457 [0,2,0,0,0,0|1,0,1]=4 5913 B13R0.71 C=CC(C)CC(=O)CCCCC(C)C 1458a_100011934298_100011216152 [0,2,0,0,0,0|1,0,0]=3 5914 B13R0.71 C=CC(C)CC(=O)NCCCC(C)C 11a_200000737386_100011934298 [0,2,0,0,0,0|2,0,0]=4 5915 B13R0.71 C=CC(C)CC(=O)NCCCC(C)C 1626a_200000737386_100011934298 [0,2,0,0,0,0|2,0,0]=4 5916 B13R0.71 C=CC(C)CC(=O)NCCCC(C)C 240690a_200000737386_100011934298 [0,2,0,0,0,0|2,0,0]=4 5917 B13R0.71 C=CC(C)CC(=O)NCCCC(C)C 527a_200000737386_100011934298 [0,2,0,0,0,0|2,0,0]=4 5918 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000754431 [0,2,0,0,0,0|1,0,1]=4 5919 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000749702_100000204269 [0,2,0,0,0,0|1,0,1]=4 5920 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 1626a_100020586998_100000695723 [0,2,0,0,0,0|1,0,1]=4 5921 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 240690a_100020586998_100000695723 [0,2,0,0,0,0|1,0,1]=4 5922 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 527a_100020586998_100000695723 [0,2,0,0,0,0|1,0,1]=4 5923 B13R0.113 C=CCNC(=O)CCNCC(C)CC 2230a_100020588543_100011222895 [0,2,0,0,0,0|1,0,0]=3 5924 B13R0.113 C=CCNC(=O)CCNCC(O)CC 2230a_100011218483_100011222895 [0,2,0,0,0,0|1,0,0]=3 5925 B13R0.113 C=CCNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011222895 [0,2,0,0,0,0|2,0,0]=4 5926 B13R0.113 C=CCNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100011222895 [0,2,0,0,0,0|2,0,0]=4 5927 B13R0.113 C=CCNC(=O)CCOCC(C)C=C 7a_100011215527_100011222895 [0,2,0,0,0,0|2,0,0]=4 5928 B13R0.113 C=CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011222895 [0,2,0,0,0,0|1,0,0]=3 5929 B13R0.113 C=CCNC(=O)CCSCC(=O)CC 62a_100000747405_100011222895 [0,2,0,0,0,0|1,0,1]=4 5930 B13R0.113 C=CCNC(=O)CCSCC(=O)CC 62a_100011222895_100000747405 [0,2,0,0,0,0|1,0,1]=4 5931 B13R0.113 C=CCNC(=O)CCSCC(C)CC 62a_100000748023_100011222895 [0,2,0,0,0,0|1,0,0]=3 5932 B13R0.113 C=CCNC(=O)CCSCC(C)CC 62a_100011222895_100000748023 [0,2,0,0,0,0|1,0,0]=3 5933 B13R0.113 C=CCNC(=O)CCSCC(O)CC 62a_100011218378_100011222895 [0,2,0,0,0,0|1,0,0]=3 5934 B13R0.113 C=CCNC(=O)CCSCC(O)CC 62a_100011222895_100011218378 [0,2,0,0,0,0|1,0,0]=3 5935 B13R0.113 C=CCNC(=O)CCSCC(O)CO 62a_100011219619_100011222895 [0,2,0,0,0,0|2,0,0]=4 5936 B13R0.113 C=CCNC(=O)CCSCC(O)CO 62a_100011222895_100011219619 [0,2,0,0,0,0|2,0,0]=4 5937 B13R0.113 C=CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100011222895 [0,2,0,0,0,0|1,0,0]=3 5938 B13R0.113 C=CCNC(=O)CCSC[C@@H](C)CC 62a_100011222895_100009816398 [0,2,0,0,0,0|1,0,0]=3 5939 B13R0.113 C=CCNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100011222895 [0,2,0,0,0,0|2,0,0]=4 5940 B13R0.113 C=CCNC(=O)CCSC[C@@H](C)CO 62a_100011222895_100000059175 [0,2,0,0,0,0|2,0,0]=4 5941 B13R0.113 C=CCNC(=O)CCSC[C@@H](O)CF 62a_100011222895_100015614560 [0,2,0,0,0,0|2,0,0]=4 5942 B13R0.113 C=CCNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100011222895 [0,2,0,0,0,0|2,0,0]=4 5943 B13R0.113 C=CCNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100011222895 [0,2,0,0,0,0|2,0,0]=4 5944 B13R0.113 C=CCNC(=O)CCSC[C@@H](O)CO 62a_100011222895_100009815848 [0,2,0,0,0,0|2,0,0]=4 5945 B13R0.113 C=CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183597 [0,2,0,0,0,0|1,0,0]=3 5946 B13R0.113 C=CCNC(=O)CNCCC(C)CO 2230a_106354213184_100000183597 [0,2,0,0,0,0|2,0,0]=4 5947 B13R0.113 C=CCNC(=O)COCCC(C)CC 7a_100011215188_100000183597 [0,2,0,0,0,0|1,0,0]=3 5948 B13R0.113 C=CCNC(=O)COCCC(C)OC 7a_100000764861_100000183597 [0,2,0,0,0,0|2,0,0]=4 5949 B13R0.113 C=CCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000033060 [0,2,0,0,0,0|1,0,1]=4 5950 B13R0.113 C=CCOC(=O)CNCCC(=O)NC 34a_100000738227_100000033060 [0,2,0,0,0,0|1,0,1]=4 5951 B13R0.113 C=CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000033060 [0,2,0,0,0,0|0,0,0]=2 5952 B13R0.113 C=CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000033060 [0,2,0,0,0,0|1,0,0]=3 5953 B13R0.113 C=CCOC(=O)CNCCC(C)CO 34a_106354213184_100000033060 [0,2,0,0,0,0|1,0,0]=3 5954 B13R0.113 C=CCOC(=O)COCCC(=O)NC 34a_100000754576_100000033060 [0,2,0,0,0,0|1,0,1]=4 5955 B13R0.113 C=CCOC(=O)COCCC(C)CC 7a_100011215188_100000033060 [0,2,0,0,0,0|0,0,0]=2 5956 B13R0.113 C=CCOC(=O)COCCC(C)OC 7a_100000764861_100000033060 [0,2,0,0,0,0|1,0,0]=3 5957 B13R0.113 C=CCOC(=O)CSCCC(=O)NC 62a_100000033060_100000737683 [0,2,0,0,0,0|1,0,1]=4 5958 B13R0.113 C=CCOC(=O)CSCCC(=O)NC 62a_100000737683_100000033060 [0,2,0,0,0,0|1,0,1]=4 5959 B13R0.113 C=CCOC(=O)CSCCC(=O)OC 62a_100000033060_100000204255 [0,2,0,0,0,0|1,0,1]=4 5960 B13R0.113 C=CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000033060 [0,2,0,0,0,0|1,0,1]=4 5961 B13R0.113 CCCOC(=O)CNCCC(C)CC 2230a_100020591266_200011215008 [0,2,0,0,0,0|0,0,2]=4 5962 B13R0.113 CCCOC(=O)COCCC(C)CC 7a_100011215188_200011215008 [0,2,0,0,0,0|0,0,2]=4 5963 B13R0.115 C=CCNC(=O)CCN(C)CC(C)C 2230a_100000747067_100011222895 [0,2,0,0,0,0|2,0,0]=4 5964 B13R0.115 C=CCNC(=O)CCN(C)CC(C)C 269982a_100000747067_100011222895 [0,2,0,0,0,0|2,0,0]=4 5965 B13R0.115 C=CCNC(=O)CCN(C)CC(C)O 2230a_100000227577_100011222895 [0,2,0,0,0,0|2,0,0]=4 5966 B13R0.115 C=CCNC(=O)CCN(C)CC(C)O 269982a_100000227577_100011222895 [0,2,0,0,0,0|2,0,0]=4 5967 B13R0.115 C=CCNC(=O)CNC(C)CC(C)C 2230a_100000692259_100000183597 [0,2,0,0,0,0|2,0,0]=4 5968 B13R0.115 C=CCNC(=O)COC(C)CC(C)C 7a_100000211805_100000183597 [0,2,0,0,0,0|2,0,0]=4 5969 B13R0.115 C=CCNC(=O)CSC(C)CC(C)C 62a_100000183597_100000731052 [0,2,0,0,0,0|2,0,0]=4 5970 B13R0.115 C=CCNC(=O)CSC(C)CC(C)C 62a_100000731052_100000183597 [0,2,0,0,0,0|2,0,0]=4 5971 B13R0.115 C=CCOC(=O)CNC(C)CC(C)C 2230a_100000692259_100000033060 [0,2,0,0,0,0|1,0,0]=3 5972 B13R0.115 C=CCOC(=O)COC(C)CC(C)C 34a_100000211805_100000033060 [0,2,0,0,0,0|1,0,0]=3 5973 B13R0.115 C=CCOC(=O)COC(C)CC(C)C 7a_100000211805_100000033060 [0,2,0,0,0,0|1,0,0]=3 5974 B13R0.115 C=CCOC(=O)CSC(C)CC(C)C 62a_100000033060_100000731052 [0,2,0,0,0,0|1,0,0]=3 5975 B13R0.115 C=CCOC(=O)CSC(C)CC(C)C 62a_100000731052_100000033060 [0,2,0,0,0,0|1,0,0]=3 5976 B13R0.115 C=CCOC(=O)CSC(C)CN(C)C 62a_100000033060_100020606517 [0,2,0,0,0,0|2,0,0]=4 5977 B13R0.115 C=CCOC(=O)CSC(C)CN(C)C 62a_100020606517_100000033060 [0,2,0,0,0,0|2,0,0]=4 5978 B13R0.115 C=CCOC(=O)NCC(=O)CC(C)C 1458a_100000216761_100000210624 [0,2,0,0,0,0|1,0,1]=4 5979 B13R0.115 C=CCOC(=O)NCC(=O)CC(C)O 1458a_100000216761_100011218427 [0,2,0,0,0,0|1,0,1]=4 5980 B13R0.117 C=CCNC(=O)CCNC(C)C(C)C 2230a_100000211541_100011222895 [0,2,0,0,0,0|2,0,0]=4 5981 B13R0.117 C=CCNC(=O)CCOC(C)C(C)C 7a_100000748068_100011222895 [0,2,0,0,0,0|2,0,0]=4 5982 B13R0.117 C=CCNC(=O)CNCC(O)C(C)C 2230a_100000759067_100000183597 [0,2,0,0,0,0|2,0,0]=4 5983 B13R0.117 C=CCOC(=O)CNCC(O)C(C)C 2230a_100000759067_100000033060 [0,2,0,0,0,0|1,0,0]=3 5984 B13R0.117 C=CCOC(=O)CNCC(O)C(C)C 34a_100000759067_100000033060 [0,2,0,0,0,0|1,0,0]=3 5985 B13R0.117 C=CCOC(=O)COCC(C)C(=O)C 34a_100000032740_100000033060 [0,2,0,0,0,0|1,0,1]=4 5986 B13R0.117 C=CCOC(=O)COCC(C)C(=O)C 7a_100000032740_100000033060 [0,2,0,0,0,0|1,0,1]=4 5987 B13R0.117 C=CCOC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000033060 [0,2,0,0,0,0|1,0,0]=3 5988 B13R0.117 C=CCOC(=O)CSCC(=O)C(C)C 62a_100000033060_100000753385 [0,2,0,0,0,0|1,0,1]=4 5989 B13R0.117 C=CCOC(=O)CSCC(=O)C(C)C 62a_100000753385_100000033060 [0,2,0,0,0,0|1,0,1]=4 5990 B13R0.124 C=CCCC(=O)CCCCC(F)(F)F 1458a_100000749702_100000692467 [0,2,0,0,0,0|2,0,0]=4 5991 B13R0.124 C=CCNC(=O)CCNCC(C)(C)C 2230a_100000743828_100011222895 [0,2,0,0,0,0|2,0,0]=4 5992 B13R0.124 C=CCNC(=O)CCNCC(C)(C)F 2230a_100020643315_100011222895 [0,2,0,0,0,0|2,0,0]=4 5993 B13R0.124 C=CCNC(=O)CCNCC(C)(C)O 2230a_100000751335_100011222895 [0,2,0,0,0,0|2,0,0]=4 5994 B13R0.124 C=CCNC(=O)CCSCC(C)(C)C 62a_100011219605_100011222895 [0,2,0,0,0,0|2,0,0]=4 5995 B13R0.124 C=CCNC(=O)CCSCC(C)(C)C 62a_100011222895_100011219605 [0,2,0,0,0,0|2,0,0]=4 5996 B13R0.124 C=CCNC(=O)CCSCC(C)(C)F 62a_100011222895_100011997219 [0,2,0,0,0,0|2,0,0]=4 5997 B13R0.124 C=CCNC(=O)CCSCC(C)(C)F 62a_100011997219_100011222895 [0,2,0,0,0,0|2,0,0]=4 5998 B13R0.124 C=CCNC(=O)CCSCC(C)(C)O 62a_100000764493_100011222895 [0,2,0,0,0,0|2,0,0]=4 5999 B13R0.124 C=CCNC(=O)CCSCC(C)(C)O 62a_100011222895_100000764493 [0,2,0,0,0,0|2,0,0]=4 6000 B13R0.124 C=CCNC(=O)CNCCC(C)(C)C 2230a_100000738805_100000183597 [0,2,0,0,0,0|2,0,0]=4 6001 B13R0.124 C=CCNC(=O)CNCCC(C)(C)F 2230a_100016253952_100000183597 [0,2,0,0,0,0|2,0,0]=4 6002 B13R0.124 C=CCNC(=O)COCCC(C)(C)C 7a_100000765024_100000183597 [0,2,0,0,0,0|2,0,0]=4 6003 B13R0.124 C=CCNC(=O)CSCCC(C)(C)C 62a_100000183597_100000755188 [0,2,0,0,0,0|2,0,0]=4 6004 B13R0.124 C=CCNC(=O)CSCCC(C)(C)C 62a_100000755188_100000183597 [0,2,0,0,0,0|2,0,0]=4 6005 B13R0.124 C=CCNC(=O)CSCCC(C)(C)O 62a_100000183597_100000702414 [0,2,0,0,0,0|2,0,0]=4 6006 B13R0.124 C=CCNC(=O)CSCCC(C)(C)O 62a_100000702414_100000183597 [0,2,0,0,0,0|2,0,0]=4 6007 B13R0.124 C=CCOC(=O)CNCCC(C)(C)C 2230a_100000738805_100000033060 [0,2,0,0,0,0|1,0,0]=3 6008 B13R0.124 C=CCOC(=O)CNCCC(C)(C)F 2230a_100016253952_100000033060 [0,2,0,0,0,0|1,0,0]=3 6009 B13R0.124 C=CCOC(=O)CNCCC(F)(F)F 2230a_100000740434_100000033060 [0,2,0,0,0,0|2,0,0]=4 6010 B13R0.124 C=CCOC(=O)CNCCC(F)(F)F 34a_100000740434_100000033060 [0,2,0,0,0,0|2,0,0]=4 6011 B13R0.124 C=CCOC(=O)CNCCS(=O)(=O)C 2230a_100000740961_100000033060 [0,2,0,0,0,0|2,0,0]=4 6012 B13R0.124 C=CCOC(=O)CNCCS(=O)(=O)C 34a_100000740961_100000033060 [0,2,0,0,0,0|2,0,0]=4 6013 B13R0.124 C=CCOC(=O)COCCC(C)(C)C 7a_100000765024_100000033060 [0,2,0,0,0,0|1,0,0]=3 6014 B13R0.124 C=CCOC(=O)COCCC(F)(F)F 34a_100000752437_100000033060 [0,2,0,0,0,0|2,0,0]=4 6015 B13R0.124 C=CCOC(=O)COCCS(=O)(=O)C 34a_100000211924_100000033060 [0,2,0,0,0,0|2,0,0]=4 6016 B13R0.124 C=CCOC(=O)COCCS(=O)(=O)C 7a_100000211924_100000033060 [0,2,0,0,0,0|2,0,0]=4 6017 B13R0.124 C=CCOC(=O)COCC[N+](C)(C)C 7a_200020618287_100000033060 [0,2,0,0,0,0|2,0,0]=4 6018 B13R0.124 C=CCOC(=O)COCC[Si](C)(C)C 7a_100000039746_100000033060 [0,2,0,0,0,0|1,1,0]=4 6019 B13R0.124 C=CCOC(=O)CSCCC(C)(C)C 62a_100000033060_100000755188 [0,2,0,0,0,0|1,0,0]=3 6020 B13R0.124 C=CCOC(=O)CSCCC(C)(C)C 62a_100000755188_100000033060 [0,2,0,0,0,0|1,0,0]=3 6021 B13R0.124 C=CCOC(=O)CSCCC(C)(C)O 62a_100000033060_100000702414 [0,2,0,0,0,0|1,0,0]=3 6022 B13R0.124 C=CCOC(=O)CSCCC(C)(C)O 62a_100000702414_100000033060 [0,2,0,0,0,0|1,0,0]=3 6023 B13R0.124 C=CCOC(=O)CSCCC(F)(F)F 62a_100000033060_100011219754 [0,2,0,0,0,0|2,0,0]=4 6024 B13R0.124 C=CCOC(=O)CSCCC(F)(F)F 62a_100011219754_100000033060 [0,2,0,0,0,0|2,0,0]=4 6025 B13R0.124 C=CCOC(=O)CSCCS(=O)(=O)C 62a_100000033060_100000230027 [0,2,0,0,0,0|2,0,0]=4 6026 B13R0.124 C=CCOC(=O)CSCCS(=O)(=O)C 62a_100000731031_100000033060 [0,2,0,0,0,0|2,0,0]=4 6027 B13R0.124 C=CCOC(=O)CSCC[N+](C)(C)C 62a_100000033060_100000085578 [0,2,0,0,0,0|2,0,0]=4 6028 B13R0.124 C=CCOC(=O)CSCC[N+](C)(C)C 62a_100000085578_100000033060 [0,2,0,0,0,0|2,0,0]=4 6029 B13R0.124 C=CCOC(=O)CSCC[Si](C)(C)C 62a_100000033060_200000733723 [0,2,0,0,0,0|1,1,0]=4 6030 B13R0.124 C=CCOC(=O)CSCC[Si](C)(C)C 62a_200000733723_100000033060 [0,2,0,0,0,0|1,1,0]=4 6031 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 11a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 6032 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 1626a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 6033 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 240690a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 6034 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 527a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 6035 B13R0.172 C=C(C)CNC(=O)NC(C)CCCC 2708a_100000126638_100000765925 [0,2,0,0,0,0|2,0,0]=4 6036 B13R0.172 C=C(C)CNC(=O)NC(C)CCCC 2708a_100000765925_100000126638 [0,2,0,0,0,0|2,0,0]=4 6037 B13R0.172 C=C(C)CNC(=O)NC(C)CCCC 273464a_100000126638_100000765925 [0,2,0,0,0,0|2,0,0]=4 6038 B13R0.172 C=C(C)CNC(=O)NC(C)CCCC 273464a_100000765925_100000126638 [0,2,0,0,0,0|2,0,0]=4 6039 B13R0.172 C=C(C)CNC(=O)NC(C)CCCC 512a_100000126638_100000765925 [0,2,0,0,0,0|2,0,0]=4 6040 B13R0.172 C=C(C)CNC(=O)NC(C)CCCC 512a_100000765925_100000126638 [0,2,0,0,0,0|2,0,0]=4 6041 B13R0.172 C=CCCC(=O)NC(C)CCC(C)C 11a_100138410893_100000749702 [0,2,0,0,0,0|2,0,0]=4 6042 B13R0.172 C=CCCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000749702 [0,2,0,0,0,0|2,0,0]=4 6043 B13R0.172 C=CCCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000749702 [0,2,0,0,0,0|2,0,0]=4 6044 B13R0.172 C=CCCC(=O)NC(C)CCC(C)C 527a_100138410893_100000749702 [0,2,0,0,0,0|2,0,0]=4 6045 B13R0.172 C=CCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183597 [0,2,0,0,0,0|1,0,1]=4 6046 B13R0.172 C=CCNC(=O)CN(C)CCC(C)C 2230a_100000742789_100000183597 [0,2,0,0,0,0|2,0,0]=4 6047 B13R0.172 C=CCNC(=O)CN(C)CCC(C)C 269982a_100000742789_100000183597 [0,2,0,0,0,0|2,0,0]=4 6048 B13R0.172 C=CCNC(=O)NC(C)CCC(C)C 2708a_100138410893_100020586998 [0,2,0,0,0,0|2,0,0]=4 6049 B13R0.172 C=CCNC(=O)NC(C)CCC(C)C 273464a_100138410893_100020586998 [0,2,0,0,0,0|2,0,0]=4 6050 B13R0.172 C=CCNC(=O)NC(C)CCC(C)C 512a_100020586998_100138410893 [0,2,0,0,0,0|2,0,0]=4 6051 B13R0.172 C=CCNC(=O)NC(C)CCC(C)C 512a_100138410893_100020586998 [0,2,0,0,0,0|2,0,0]=4 6052 B13R0.172 C=CCOC(=O)CC(=O)CCC(=C)C 1458a_200000688413_100000033060 [0,2,0,0,0,0|0,0,2]=4 6053 B13R0.172 C=CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000033060 [0,2,0,0,0,0|0,0,1]=3 6054 B13R0.172 C=CCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000033060 [0,2,0,0,0,0|1,0,1]=4 6055 B13R0.172 C=CCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000033060 [0,2,0,0,0,0|1,0,1]=4 6056 B13R0.172 C=CCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000033060 [0,2,0,0,0,0|1,0,1]=4 6057 B13R0.172 C=CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000033060 [0,2,0,0,0,0|1,0,0]=3 6058 B13R0.172 C=CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000033060 [0,2,0,0,0,0|1,0,0]=3 6059 B13R0.172 C=CCOC(=O)CN(C)CCN(C)C 269982a_100000225618_100000033060 [0,2,0,0,0,0|2,0,0]=4 6060 B13R0.182 C=C(C)CCC(=O)CCCCC(=O)C 1458a_200000688413_100000735457 [0,2,0,0,0,0|1,0,1]=4 6061 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_100011933920_100000730704 [0,2,0,0,0,0|1,0,0]=3 6062 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_200000688413_100011216152 [0,2,0,0,0,0|1,0,0]=3 6063 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 11a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 6064 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 1626a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 6065 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 240690a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 6066 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 527a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 6067 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 11a_100000765925_100011933920 [0,2,0,0,0,0|1,0,0]=3 6068 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 1626a_100000765925_100011933920 [0,2,0,0,0,0|1,0,0]=3 6069 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 240690a_100000765925_100011933920 [0,2,0,0,0,0|1,0,0]=3 6070 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 527a_100000765925_100011933920 [0,2,0,0,0,0|1,0,0]=3 6071 B13R0.182 C=C(C)CNC(=O)CCCCN(C)C 11a_100000765925_100000751710 [0,2,0,0,0,0|2,0,0]=4 6072 B13R0.182 C=C(C)CNC(=O)CCCCN(C)C 240690a_100000765925_100000751710 [0,2,0,0,0,0|2,0,0]=4 6073 B13R0.182 C=C(C)CNC(=O)CCCCN(C)C 527a_100000765925_100000751710 [0,2,0,0,0,0|2,0,0]=4 6074 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 2708a_100000765925_200000737386 [0,2,0,0,0,0|2,0,0]=4 6075 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 2708a_200000737386_100000765925 [0,2,0,0,0,0|2,0,0]=4 6076 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 273464a_100000765925_200000737386 [0,2,0,0,0,0|2,0,0]=4 6077 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 273464a_200000737386_100000765925 [0,2,0,0,0,0|2,0,0]=4 6078 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 512a_100000765925_200000737386 [0,2,0,0,0,0|2,0,0]=4 6079 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 512a_200000737386_100000765925 [0,2,0,0,0,0|2,0,0]=4 6080 B13R0.182 CC(C)CCCCC(=O)CCC(=O)N 1458a_100011215257_100011216152 [0,2,0,0,0,0|2,0,0]=4 6081 B13R0.182 CC(C)CCCCC(=O)NCC(=O)N 11a_100000711301_100011933920 [0,2,0,0,0,0|2,0,0]=4 6082 B13R0.182 CC(C)CCCCC(=O)NCC(=O)N 240690a_100000711301_100011933920 [0,2,0,0,0,0|2,0,0]=4 6083 B13R0.182 CC(C)CCCCC(=O)NCC(=O)N 527a_100000711301_100011933920 [0,2,0,0,0,0|2,0,0]=4 6084 B13R0.261 C=CCC(C)C(=O)CCCCC(=O)C 1458a_100011216819_100000735457 [0,2,0,0,0,0|1,0,1]=4 6085 B13R0.261 C=CCC(C)C(=O)CCCCC(C)C 1458a_100011216819_100011216152 [0,2,0,0,0,0|1,0,0]=3 6086 B13R0.261 C=CCC(C)C(=O)NCCCC(C)C 11a_200000737386_100011216819 [0,2,0,0,0,0|2,0,0]=4 6087 B13R0.261 C=CCC(C)C(=O)NCCCC(C)C 1626a_200000737386_100011216819 [0,2,0,0,0,0|2,0,0]=4 6088 B13R0.261 C=CCC(C)C(=O)NCCCC(C)C 240690a_200000737386_100011216819 [0,2,0,0,0,0|2,0,0]=4 6089 B13R0.261 C=CCC(C)C(=O)NCCCC(C)C 527a_200000737386_100011216819 [0,2,0,0,0,0|2,0,0]=4 6090 B13R0.261 C=CCN(C)C(=O)CCCCC(C)C 11a_100000225617_100011933920 [0,2,0,0,0,0|1,0,0]=3 6091 B13R0.261 C=CCN(C)C(=O)CCCCC(C)C 1626a_100000225617_100011933920 [0,2,0,0,0,0|1,0,0]=3 6092 B13R0.261 C=CCN(C)C(=O)CCCCC(C)C 240690a_100000225617_100011933920 [0,2,0,0,0,0|1,0,0]=3 6093 B13R0.261 C=CCN(C)C(=O)CCCCC(C)C 527a_100000225617_100011933920 [0,2,0,0,0,0|1,0,0]=3 6094 B13R0.261 C=CCN(C)C(=O)CCCCN(C)C 11a_100000225617_100000751710 [0,2,0,0,0,0|2,0,0]=4 6095 B13R0.261 C=CCN(C)C(=O)CCCCN(C)C 240690a_100000225617_100000751710 [0,2,0,0,0,0|2,0,0]=4 6096 B13R0.261 C=CCN(C)C(=O)CCCCN(C)C 527a_100000225617_100000751710 [0,2,0,0,0,0|2,0,0]=4 6097 B13R0.261 C=CCN(C)C(=O)NCCCC(C)C 2708a_200000737386_100000225617 [0,2,0,0,0,0|2,0,0]=4 6098 B13R0.261 C=CCN(C)C(=O)NCCCC(C)C 273464a_200000737386_100000225617 [0,2,0,0,0,0|2,0,0]=4 6099 B13R0.345 C=CCNC(=O)C(C)NCCC(C)O 2230a_200000755665_100000230288 [0,2,0,0,0,0|2,0,0]=4 6100 B13R0.345 C=CCNC(=O)C(C)OCCC(C)C 7a_100000210254_100000230288 [0,2,0,0,0,0|2,0,0]=4 6101 B13R0.345 C=CCNC(=O)C(C)SCCC(C)C 62a_100000210312_100000230288 [0,2,0,0,0,0|2,0,0]=4 6102 B13R0.345 C=CCNC(=O)C(C)SCCC(C)C 62a_100000230288_100000210312 [0,2,0,0,0,0|2,0,0]=4 6103 B13R0.345 C=CCNC(=O)C(C)SCCC(C)O 62a_100000230288_100012276601 [0,2,0,0,0,0|2,0,0]=4 6104 B13R0.345 C=CCNC(=O)C(C)SCCC(C)O 62a_100012276601_100000230288 [0,2,0,0,0,0|2,0,0]=4 6105 B13R0.39 C=CCNC(=O)C(C)NC(C)CCC 2230a_100000741246_100000230288 [0,2,0,0,0,0|2,0,0]=4 6106 B13R0.39 C=CCNC(=O)C(C)OC(C)CCC 7a_100000764384_100000230288 [0,2,0,0,0,0|2,0,0]=4 6107 B13R0.39 C=CCNC(=O)C(C)SC(C)CCC 62a_100000230288_100000766640 [0,2,0,0,0,0|2,0,0]=4 6108 B13R0.39 C=CCNC(=O)C(C)SC(C)CCC 62a_100000766640_100000230288 [0,2,0,0,0,0|2,0,0]=4 6109 B13R0.120 C=CCC(C)C(=O)NC(C)CCCC 11a_100000126638_100011216819 [0,2,0,0,0,0|2,0,0]=4 6110 B13R0.120 C=CCC(C)C(=O)NC(C)CCCC 1626a_100000126638_100011216819 [0,2,0,0,0,0|2,0,0]=4 6111 B13R0.120 C=CCC(C)C(=O)NC(C)CCCC 240690a_100000126638_100011216819 [0,2,0,0,0,0|2,0,0]=4 6112 B13R0.120 C=CCC(C)C(=O)NC(C)CCCC 527a_100000126638_100011216819 [0,2,0,0,0,0|2,0,0]=4 6113 B13R0.120 C=CCN(C)C(=O)NC(C)CCCC 2708a_100000126638_100000225617 [0,2,0,0,0,0|2,0,0]=4 6114 B13R0.120 C=CCN(C)C(=O)NC(C)CCCC 273464a_100000126638_100000225617 [0,2,0,0,0,0|2,0,0]=4 6115 B13R0.120 C=CCNC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000183597 [0,2,0,0,0,0|1,0,1]=4 6116 B13R0.120 C=CCNC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000183597 [0,2,0,0,0,0|1,0,1]=4 6117 B13R0.120 C=CCOC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000033060 [0,2,0,0,0,0|0,0,1]=3 6118 B13R0.120 C=CCOC(=O)CC(=O)C(C)COC 1458a_100000751857_100000033060 [0,2,0,0,0,0|1,0,1]=4 6119 B13R0.120 C=CCOC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000033060 [0,2,0,0,0,0|1,0,1]=4 6120 B13R0.120 C=CCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000033060 [0,2,0,0,0,0|1,0,1]=4 6121 B13R0.120 C=CCOC(=O)CC(=O)C(C)SCC 1458a_100000230601_100000033060 [0,2,0,0,0,0|1,0,1]=4 6122 B13R0.120 C=CCOC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000033060 [0,2,0,0,0,0|0,0,1]=3 6123 B13R0.120 C=CCOC(=O)CN(C)C(C)CCO 2230a_100000731037_100000033060 [0,2,0,0,0,0|2,0,0]=4 6124 B13R0.120 C=CCOC(=O)CN(C)C(C)CCO 269982a_100000731037_100000033060 [0,2,0,0,0,0|2,0,0]=4 6125 B13R0.126 C#CC(CCC)OCC(=O)NCC=C 7a_200011217317_100000183597 [0,2,0,0,0,0|2,0,0]=4 6126 B13R0.126 C#CC(CCC)OCC(=O)OCC=C 34a_200011217317_100000033060 [0,2,0,0,0,0|1,0,0]=3 6127 B13R0.126 C#CC(CCC)OCC(=O)OCC=C 7a_200011217317_100000033060 [0,2,0,0,0,0|1,0,0]=3 6128 B13R0.126 C=CCNC(=O)CCN(CC)CCC 2230a_100000226822_100011222895 [0,2,0,0,0,0|2,0,0]=4 6129 B13R0.126 C=CCNC(=O)CCN(CC)CCC 269982a_100000226822_100011222895 [0,2,0,0,0,0|2,0,0]=4 6130 B13R0.126 C=CCNC(=O)CNC(CC)CCC 2230a_100000747048_100000183597 [0,2,0,0,0,0|2,0,0]=4 6131 B13R0.126 C=CCNC(=O)CN[C@H](CO)CCC 2230a_100000732646_100000183597 [0,2,0,0,0,0|2,0,0]=4 6132 B13R0.126 C=CCNC(=O)COC(C#N)CCC 7a_100000686963_100000183597 [0,2,0,0,0,0|2,0,0]=4 6133 B13R0.126 C=CCNC(=O)COC(C=C)CCC 7a_100011216692_100000183597 [0,2,0,0,0,0|2,0,0]=4 6134 B13R0.126 C=CCNC(=O)COC(CC)CCC 7a_100000687864_100000183597 [0,2,0,0,0,0|2,0,0]=4 6135 B13R0.126 C=CCNC(=O)CSC(CC)CCC 62a_100000183597_100011219200 [0,2,0,0,0,0|2,0,0]=4 6136 B13R0.126 C=CCNC(=O)CSC(CC)CCC 62a_100011219200_100000183597 [0,2,0,0,0,0|2,0,0]=4 6137 B13R0.126 C=CCOC(=O)CNC(CC)CCC 2230a_100000747048_100000033060 [0,2,0,0,0,0|1,0,0]=3 6138 B13R0.126 C=CCOC(=O)CNC(CC)COC 2230a_100000757820_100000033060 [0,2,0,0,0,0|2,0,0]=4 6139 B13R0.126 C=CCOC(=O)CNC(CO)COC 2230a_100000724102_100000033060 [0,2,0,0,0,0|2,0,0]=4 6140 B13R0.126 C=CCOC(=O)CNC(CO)COC 34a_100000724102_100000033060 [0,2,0,0,0,0|2,0,0]=4 6141 B13R0.126 C=CCOC(=O)CN[C@H](CO)CCC 2230a_100000732646_100000033060 [0,2,0,0,0,0|1,0,0]=3 6142 B13R0.126 C=CCOC(=O)CN[C@H](CO)CCC 34a_100000732646_100000033060 [0,2,0,0,0,0|1,0,0]=3 6143 B13R0.126 C=CCOC(=O)COC(C#N)CCC 34a_100000686963_100000033060 [0,2,0,0,0,0|1,0,0]=3 6144 B13R0.126 C=CCOC(=O)COC(C#N)CCC 7a_100000686963_100000033060 [0,2,0,0,0,0|1,0,0]=3 6145 B13R0.126 C=CCOC(=O)COC(C=C)CCC 34a_100011216692_100000033060 [0,2,0,0,0,0|1,0,0]=3 6146 B13R0.126 C=CCOC(=O)COC(C=C)CCC 7a_100011216692_100000033060 [0,2,0,0,0,0|1,0,0]=3 6147 B13R0.126 C=CCOC(=O)COC(CC)CCC 34a_100000687864_100000033060 [0,2,0,0,0,0|1,0,0]=3 6148 B13R0.126 C=CCOC(=O)COC(CC)CCC 7a_100000687864_100000033060 [0,2,0,0,0,0|1,0,0]=3 6149 B13R0.126 C=CCOC(=O)COC(CC)COC 7a_200011214946_100000033060 [0,2,0,0,0,0|2,0,0]=4 6150 B13R0.126 C=CCOC(=O)COC(CCl)COC 34a_100011215053_100000033060 [0,2,0,0,0,0|2,0,0]=4 6151 B13R0.126 C=CCOC(=O)COC(CN)COC 34a_100000756049_100000033060 [0,2,0,0,0,0|2,0,0]=4 6152 B13R0.126 C=CCOC(=O)CSC(CC)CCC 62a_100000033060_100011219200 [0,2,0,0,0,0|1,0,0]=3 6153 B13R0.126 C=CCOC(=O)CSC(CC)CCC 62a_100011219200_100000033060 [0,2,0,0,0,0|1,0,0]=3 6154 B13R0.131 C=CCNC(=O)CCN(C)C(C)CC 2230a_100000741768_100011222895 [0,2,0,0,0,0|2,0,0]=4 6155 B13R0.131 C=CCNC(=O)CCN(C)C(C)CC 269982a_100000741768_100011222895 [0,2,0,0,0,0|2,0,0]=4 6156 B13R0.131 C=CCNC(=O)COC(C)C(C)CC 7a_100011215189_100000183597 [0,2,0,0,0,0|2,0,0]=4 6157 B13R0.131 C=CCOC(=O)COC(C)C(C)CC 7a_100011215189_100000033060 [0,2,0,0,0,0|1,0,0]=3 6158 B13R0.131 C=CCOC(=O)CSC(C)C(=O)CC 62a_100000033060_100000742827 [0,2,0,0,0,0|1,0,1]=4 6159 B13R0.131 C=CCOC(=O)CSC(C)C(=O)CC 62a_100000742827_100000033060 [0,2,0,0,0,0|1,0,1]=4 6160 B13R0.131 C=CCOC(=O)NCC(=O)C(C)CC 1458a_100000216761_100000758301 [0,2,0,0,0,0|1,0,1]=4 6161 B13R0.176 C=CCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000754431 [0,2,0,0,0,0|1,0,1]=4 6162 B13R0.176 C=CCCC(=O)CCC(C)CCCC 1458a_100000033779_100000754431 [0,2,0,0,0,0|1,0,0]=3 6163 B13R0.176 C=CCCC(=O)CCN(C)CCOC 1458a_200103286627_100000754431 [0,2,0,0,0,0|2,0,0]=4 6164 B13R0.176 C=CCCC(=O)NCC(C)OCCC 11a_100015185124_100000749702 [0,2,0,0,0,0|2,0,0]=4 6165 B13R0.176 C=CCCC(=O)NCC(C)OCCC 1626a_100015185124_100000749702 [0,2,0,0,0,0|2,0,0]=4 6166 B13R0.176 C=CCCC(=O)NCC(C)OCCC 240690a_100015185124_100000749702 [0,2,0,0,0,0|2,0,0]=4 6167 B13R0.176 C=CCCC(=O)NCC(C)OCCC 527a_100015185124_100000749702 [0,2,0,0,0,0|2,0,0]=4 6168 B13R0.176 C=CCCC(=O)NCC(O)COCC 240690a_102515437182_100000749702 [0,2,0,0,0,0|2,0,0]=4 6169 B13R0.176 C=CCCC(=O)NCC(O)COCC 527a_102515437182_100000749702 [0,2,0,0,0,0|2,0,0]=4 6170 B13R0.176 C=CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000749702 [0,2,0,0,0,0|2,0,0]=4 6171 B13R0.176 C=CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000749702 [0,2,0,0,0,0|2,0,0]=4 6172 B13R0.176 C=CCCC(C)OCC(=O)OCC=C 34a_100000765329_100000033060 [0,2,0,0,0,0|0,0,2]=4 6173 B13R0.176 C=CCCC(C)OCC(=O)OCC=C 7a_100000765329_100000033060 [0,2,0,0,0,0|0,0,2]=4 6174 B13R0.176 C=CCNC(=O)CCC(=O)NCCC 1626a_100020586998_100000199543 [0,2,0,0,0,0|1,0,1]=4 6175 B13R0.176 C=CCNC(=O)CCC(=O)NCCC 240690a_100020586998_100000199543 [0,2,0,0,0,0|1,0,1]=4 6176 B13R0.176 C=CCNC(=O)CCC(=O)NCCC 527a_100020586998_100000199543 [0,2,0,0,0,0|1,0,1]=4 6177 B13R0.176 C=CCNC(=O)CCC(C)CCCC 1626a_100020586998_100000033779 [0,2,0,0,0,0|1,0,0]=3 6178 B13R0.176 C=CCNC(=O)CCC(C)CCCC 240690a_100020586998_100000033779 [0,2,0,0,0,0|1,0,0]=3 6179 B13R0.176 C=CCNC(=O)CCC(C)CCCC 527a_100020586998_100000033779 [0,2,0,0,0,0|1,0,0]=3 6180 B13R0.176 C=CCNC(=O)CCN(C)CCCC 2230a_100000207549_100011222895 [0,2,0,0,0,0|1,0,0]=3 6181 B13R0.176 C=CCNC(=O)CCN(C)CCCC 269982a_100000207549_100011222895 [0,2,0,0,0,0|1,0,0]=3 6182 B13R0.176 C=CCNC(=O)CCN(C)CCCO 2230a_100000213112_100011222895 [0,2,0,0,0,0|2,0,0]=4 6183 B13R0.176 C=CCNC(=O)CCN(C)CCCO 269982a_100000213112_100011222895 [0,2,0,0,0,0|2,0,0]=4 6184 B13R0.176 C=CCNC(=O)CCN(C)CCOC 2230a_100000743101_100011222895 [0,2,0,0,0,0|2,0,0]=4 6185 B13R0.176 C=CCNC(=O)CCN(C)CCOC 240690a_100020586998_200103286627 [0,2,0,0,0,0|2,0,0]=4 6186 B13R0.176 C=CCNC(=O)CCN(C)CCOC 269982a_100000743101_100011222895 [0,2,0,0,0,0|2,0,0]=4 6187 B13R0.176 C=CCNC(=O)CCN(C)CCSC 2230a_100000686725_100011222895 [0,2,0,0,0,0|2,0,0]=4 6188 B13R0.176 C=CCNC(=O)CCN(C)CCSC 269982a_100000686725_100011222895 [0,2,0,0,0,0|2,0,0]=4 6189 B13R0.176 C=CCNC(=O)CNC(C)CCCC 2230a_100000126638_100000183597 [0,2,0,0,0,0|1,0,0]=3 6190 B13R0.176 C=CCNC(=O)COC(C)CCCC 7a_100000687866_100000183597 [0,2,0,0,0,0|1,0,0]=3 6191 B13R0.176 C=CCNC(=O)COC(C)CCCCl 7a_200000718107_100000183597 [0,2,0,0,0,0|2,0,0]=4 6192 B13R0.176 C=CCNC(=O)COC(C)COCC 7a_100000718985_100000183597 [0,2,0,0,0,0|2,0,0]=4 6193 B13R0.176 C=CCNC(=O)CSC(C)CCCC 62a_100000183597_200011215066 [0,2,0,0,0,0|1,0,0]=3 6194 B13R0.176 C=CCNC(=O)CSC(C)CCCC 62a_200011215066_100000183597 [0,2,0,0,0,0|1,0,0]=3 6195 B13R0.176 C=CCNC(=O)NCC(C)OCCC 2708a_100015185124_100020586998 [0,2,0,0,0,0|2,0,0]=4 6196 B13R0.176 C=CCNC(=O)NCC(C)OCCC 273464a_100015185124_100020586998 [0,2,0,0,0,0|2,0,0]=4 6197 B13R0.176 C=CCNC(=O)NCC(C)OCCC 273464a_100020586998_100015185124 [0,2,0,0,0,0|2,0,0]=4 6198 B13R0.176 C=CCNC(=O)NCC(C)OCCC 512a_100015185124_100020586998 [0,2,0,0,0,0|2,0,0]=4 6199 B13R0.176 C=CCNC(=O)NCC(C)OCCC 512a_100020586998_100015185124 [0,2,0,0,0,0|2,0,0]=4 6200 B13R0.176 C=CCNC(=O)NCC(O)COCC 273464a_100020586998_102515437182 [0,2,0,0,0,0|2,0,0]=4 6201 B13R0.176 C=CCNC(=O)NCC(O)COCC 273464a_102515437182_100020586998 [0,2,0,0,0,0|2,0,0]=4 6202 B13R0.176 C=CCNC(=O)NCC(O)COCC 512a_102515437182_100020586998 [0,2,0,0,0,0|2,0,0]=4 6203 B13R0.176 C=CCNC(=O)NC[C@H](C)CCCO 273464a_100020586998_100160569302 [0,2,0,0,0,0|2,0,0]=4 6204 B13R0.176 C=CCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100020586998 [0,2,0,0,0,0|2,0,0]=4 6205 B13R0.176 C=CCNC(=O)NC[C@H](C)CCCO 512a_100020586998_100160569302 [0,2,0,0,0,0|2,0,0]=4 6206 B13R0.176 C=CCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100020586998 [0,2,0,0,0,0|2,0,0]=4 6207 B13R0.176 C=CCOC(=O)CNC(C)CCCC 2230a_100000126638_100000033060 [0,2,0,0,0,0|0,0,0]=2 6208 B13R0.176 C=CCOC(=O)COC(C)C#CCC 34a_100000033903_100000033060 [0,2,0,0,0,0|0,0,2]=4 6209 B13R0.176 C=CCOC(=O)COC(C)C#CCC 7a_100000033903_100000033060 [0,2,0,0,0,0|0,0,2]=4 6210 B13R0.176 C=CCOC(=O)COC(C)CCCC 34a_100000687866_100000033060 [0,2,0,0,0,0|0,0,0]=2 6211 B13R0.176 C=CCOC(=O)COC(C)CCCC 7a_100000687866_100000033060 [0,2,0,0,0,0|0,0,0]=2 6212 B13R0.176 C=CCOC(=O)COC(C)CCCCl 34a_200000718107_100000033060 [0,2,0,0,0,0|1,0,0]=3 6213 B13R0.176 C=CCOC(=O)COC(C)CCCCl 7a_200000718107_100000033060 [0,2,0,0,0,0|1,0,0]=3 6214 B13R0.176 C=CCOC(=O)COC(C)COCC 34a_100000718985_100000033060 [0,2,0,0,0,0|1,0,0]=3 6215 B13R0.176 C=CCOC(=O)COC(C)COCC 7a_100000718985_100000033060 [0,2,0,0,0,0|1,0,0]=3 6216 B13R0.176 C=CCOC(=O)CSC(C)CCCC 62a_100000033060_200011215066 [0,2,0,0,0,0|0,0,0]=2 6217 B13R0.176 C=CCOC(=O)CSC(C)CCCC 62a_200011215066_100000033060 [0,2,0,0,0,0|0,0,0]=2 6218 B13R0.176 C=CCOC(=O)NCC(=O)CCCC 1458a_100000216761_100000210211 [0,2,0,0,0,0|0,0,1]=3 6219 B13R0.176 C=CCOC(=O)NCC(=O)CCCF 1458a_100000216761_100011934791 [0,2,0,0,0,0|1,0,1]=4 6220 B13R0.176 C=CCOC(=O)NCC(=O)CCCO 1458a_100000216761_100011215043 [0,2,0,0,0,0|1,0,1]=4 6221 B13R0.176 C=CCOC(=O)NCC(=O)CCOC 1458a_100000216761_100000233755 [0,2,0,0,0,0|1,0,1]=4 6222 B13R0.176 C=CCOC(=O)NCC(=O)CCSC 1458a_100000216761_100000751147 [0,2,0,0,0,0|1,0,1]=4 6223 B13R0.176 C=CCOC(=O)NCC(=O)NCCC 11a_100020643023_100000216761 [0,2,0,0,0,0|1,0,1]=4 6224 B13R0.176 C=CCOC(=O)NCC(=O)NCCC 1626a_100020643023_100000216761 [0,2,0,0,0,0|1,0,1]=4 6225 B13R0.176 C=CCOC(=O)NCC(=O)NCCC 240690a_100020643023_100000216761 [0,2,0,0,0,0|1,0,1]=4 6226 B13R0.176 C=CCOC(=O)NCC(=O)NCCC 527a_100020643023_100000216761 [0,2,0,0,0,0|1,0,1]=4 6227 B13R0.176 CCCCC(C)NCC(=O)OCCC 2230a_100000126638_200011215008 [0,2,0,0,0,0|0,0,2]=4 6228 B13R0.176 CCCCC(C)OCC(=O)OCCC 34a_100000687866_200011215008 [0,2,0,0,0,0|0,0,2]=4 6229 B13R0.176 CCCCC(C)OCC(=O)OCCC 7a_100000687866_200011215008 [0,2,0,0,0,0|0,0,2]=4 6230 B13R0.176 CCCCC(C)SCC(=O)OCCC 62a_200011215008_200011215066 [0,2,0,0,0,0|0,0,2]=4 6231 B13R0.176 CCCCC(C)SCC(=O)OCCC 62a_200011215066_200011215008 [0,2,0,0,0,0|0,0,2]=4 6232 B13R0.793 C=CCNC(=O)COC(C)(C)CCC 7a_100000748436_100000183597 [0,2,0,0,0,0|2,0,0]=4 6233 B13R0.793 C=CCOC(=O)CNC(C)(C)COC 2230a_100000752728_100000033060 [0,2,0,0,0,0|2,0,0]=4 6234 B13R0.793 C=CCOC(=O)CNC(C)(C)CSC 2230a_100000759623_100000033060 [0,2,0,0,0,0|2,0,0]=4 6235 B13R0.793 C=CCOC(=O)CNC(C)(C)CSC 7a_100000759623_100000033060 [0,2,0,0,0,0|2,0,0]=4 6236 B13R0.793 C=CCOC(=O)COC(C)(C)CCBr 7a_100000702414_100000033060 [0,2,0,0,0,0|2,0,0]=4 6237 B13R0.793 C=CCOC(=O)COC(C)(C)CCC 7a_100000748436_100000033060 [0,2,0,0,0,0|1,0,0]=3 6238 B13R0.3 C#CC(CC)OCCC(=O)NCC=C 7a_100000758843_100011222895 [0,2,0,0,0,0|2,0,0]=4 6239 B13R0.3 C=CCCC(=O)CCCC(OC)OC 1458a_100000749702_100000069011 [0,2,0,0,0,0|2,0,0]=4 6240 B13R0.3 C=CCCC(=O)CCCN(CC)CC 1458a_100000749702_100000709985 [0,2,0,0,0,0|2,0,0]=4 6241 B13R0.3 C=CCCC(=O)CCCN(CC)CC 1458a_100076194134_100000754431 [0,2,0,0,0,0|2,0,0]=4 6242 B13R0.3 C=CCNC(=O)CCCN(CC)CC 240690a_100020586998_100076194134 [0,2,0,0,0,0|2,0,0]=4 6243 B13R0.3 C=CCNC(=O)CCNC(CC)CC 2230a_100000199018_100011222895 [0,2,0,0,0,0|2,0,0]=4 6244 B13R0.3 C=CCNC(=O)CCN[C@@H](CC)CO 2230a_100000709445_100011222895 [0,2,0,0,0,0|2,0,0]=4 6245 B13R0.3 C=CCNC(=O)CCOC(C=C)CC 7a_100000766422_100011222895 [0,2,0,0,0,0|2,0,0]=4 6246 B13R0.3 C=CCNC(=O)CCOC(CC)CC 7a_100000688536_100011222895 [0,2,0,0,0,0|2,0,0]=4 6247 B13R0.3 C=CCNC(=O)CCSC(CC)CC 62a_100000210505_100011222895 [0,2,0,0,0,0|2,0,0]=4 6248 B13R0.3 C=CCNC(=O)CCSC(CC)CC 62a_100011222895_100000210505 [0,2,0,0,0,0|2,0,0]=4 6249 B13R0.3 C=CCNC(=O)CNCC(CC)CC 2230a_100102946423_100000183597 [0,2,0,0,0,0|2,0,0]=4 6250 B13R0.3 C=CCNC(=O)COCC(CC)CC 7a_100000703878_100000183597 [0,2,0,0,0,0|2,0,0]=4 6251 B13R0.3 C=CCNC(=O)COCC(CC)OC 7a_100011934954_100000183597 [0,2,0,0,0,0|2,0,0]=4 6252 B13R0.3 C=CCNC(=O)CSCC(CC)CC 62a_100000183597_100011215472 [0,2,0,0,0,0|2,0,0]=4 6253 B13R0.3 C=CCNC(=O)CSCC(CC)CC 62a_100011215472_100000183597 [0,2,0,0,0,0|2,0,0]=4 6254 B13R0.3 C=CCOC(=O)CNCC(CC)CC 2230a_100102946423_100000033060 [0,2,0,0,0,0|1,0,0]=3 6255 B13R0.3 C=CCOC(=O)COCC(CC)CC 7a_100000703878_100000033060 [0,2,0,0,0,0|1,0,0]=3 6256 B13R0.3 C=CCOC(=O)COCC(CC)OC 34a_100011934954_100000033060 [0,2,0,0,0,0|1,0,0]=3 6257 B13R0.3 C=CCOC(=O)COCC(CC)OC 7a_100011934954_100000033060 [0,2,0,0,0,0|1,0,0]=3 6258 B13R0.3 C=CCOC(=O)COCC(OC)OC 34a_100011216393_100000033060 [0,2,0,0,0,0|2,0,0]=4 6259 B13R0.3 C=CCOC(=O)COCN(CC)CC 7a_200015374951_100000033060 [0,2,0,0,0,0|2,0,0]=4 6260 B13R0.3 C=CCOC(=O)CSCC(CC)CC 62a_100000033060_100011215472 [0,2,0,0,0,0|1,0,0]=3 6261 B13R0.3 C=CCOC(=O)CSCC(CC)CC 62a_100011215472_100000033060 [0,2,0,0,0,0|1,0,0]=3 6262 B13R0.3 C=CCOC(=O)CSCC(OC)OC 62a_100000033060_100000751394 [0,2,0,0,0,0|2,0,0]=4 6263 B13R0.3 C=CCOC(=O)CSCC(OC)OC 62a_100000751394_100000033060 [0,2,0,0,0,0|2,0,0]=4 6264 B13R0.40 C=CCNC(=O)C(C)NCC(C)CC 2230a_100020588543_100000230288 [0,2,0,0,0,0|2,0,0]=4 6265 B13R0.40 C=CCNC(=O)C(C)NCC(O)CC 2230a_100011218483_100000230288 [0,2,0,0,0,0|2,0,0]=4 6266 B13R0.40 C=CCNC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000230288 [0,2,0,0,0,0|2,0,0]=4 6267 B13R0.40 C=CCNC(=O)C(C)SCC(C)CC 62a_100000230288_100000748023 [0,2,0,0,0,0|2,0,0]=4 6268 B13R0.40 C=CCNC(=O)C(C)SCC(C)CC 62a_100000748023_100000230288 [0,2,0,0,0,0|2,0,0]=4 6269 B13R0.40 C=CCNC(=O)C(C)SCC(O)CC 62a_100000230288_100011218378 [0,2,0,0,0,0|2,0,0]=4 6270 B13R0.40 C=CCNC(=O)C(C)SCC(O)CC 62a_100011218378_100000230288 [0,2,0,0,0,0|2,0,0]=4 6271 B13R0.40 C=CCNC(=O)C(C)SC[C@@H](C)CC 62a_100000230288_100009816398 [0,2,0,0,0,0|2,0,0]=4 6272 B13R0.40 C=CCNC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100000230288 [0,2,0,0,0,0|2,0,0]=4 6273 B13R0.118 C=CC(C)CC(=O)NC(C)CCCC 11a_100000126638_100011934298 [0,2,0,0,0,0|2,0,0]=4 6274 B13R0.118 C=CC(C)CC(=O)NC(C)CCCC 1626a_100000126638_100011934298 [0,2,0,0,0,0|2,0,0]=4 6275 B13R0.118 C=CC(C)CC(=O)NC(C)CCCC 240690a_100000126638_100011934298 [0,2,0,0,0,0|2,0,0]=4 6276 B13R0.118 C=CC(C)CC(=O)NC(C)CCCC 527a_100000126638_100011934298 [0,2,0,0,0,0|2,0,0]=4 6277 B13R0.118 C=CCCC(=O)NC(C)CC(C)CC 11a_100000763565_100000749702 [0,2,0,0,0,0|2,0,0]=4 6278 B13R0.118 C=CCCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000749702 [0,2,0,0,0,0|2,0,0]=4 6279 B13R0.118 C=CCCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000749702 [0,2,0,0,0,0|2,0,0]=4 6280 B13R0.118 C=CCCC(=O)NC(C)CC(C)CC 527a_100000763565_100000749702 [0,2,0,0,0,0|2,0,0]=4 6281 B13R0.118 C=CCNC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000183597 [0,2,0,0,0,0|1,0,1]=4 6282 B13R0.118 C=CCNC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000183597 [0,2,0,0,0,0|1,0,1]=4 6283 B13R0.118 C=CCNC(=O)CN(C)CC(C)CC 2230a_100000753921_100000183597 [0,2,0,0,0,0|2,0,0]=4 6284 B13R0.118 C=CCNC(=O)CN(C)CC(C)CC 269982a_100000753921_100000183597 [0,2,0,0,0,0|2,0,0]=4 6285 B13R0.118 C=CCNC(=O)NC(C)CC(C)CC 2708a_100000763565_100020586998 [0,2,0,0,0,0|2,0,0]=4 6286 B13R0.118 C=CCNC(=O)NC(C)CC(C)CC 273464a_100000763565_100020586998 [0,2,0,0,0,0|2,0,0]=4 6287 B13R0.118 C=CCNC(=O)NC(C)CC(C)CC 273464a_100020586998_100000763565 [0,2,0,0,0,0|2,0,0]=4 6288 B13R0.118 C=CCNC(=O)NC(C)CC(C)CC 512a_100000763565_100020586998 [0,2,0,0,0,0|2,0,0]=4 6289 B13R0.118 C=CCNC(=O)NC(C)CC(C)CC 512a_100020586998_100000763565 [0,2,0,0,0,0|2,0,0]=4 6290 B13R0.118 C=CCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000033060 [0,2,0,0,0,0|0,0,1]=3 6291 B13R0.118 C=CCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000033060 [0,2,0,0,0,0|0,0,1]=3 6292 B13R0.118 C=CCOC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000033060 [0,2,0,0,0,0|1,0,1]=4 6293 B13R0.118 C=CCOC(=O)CN(C)CC(C)CC 2230a_100000753921_100000033060 [0,2,0,0,0,0|1,0,0]=3 6294 B13R0.118 C=CCOC(=O)CN(C)CC(C)CC 269982a_100000753921_100000033060 [0,2,0,0,0,0|1,0,0]=3 6295 B13R0.118 C=CCOC(=O)CN(C)CC(O)CO 2230a_100011216503_100000033060 [0,2,0,0,0,0|2,0,0]=4 6296 B13R0.118 C=CCOC(=O)CN(C)CC(O)CO 269982a_100011216503_100000033060 [0,2,0,0,0,0|2,0,0]=4 6297 B13R0.175 C=CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000754431 [0,2,0,0,0,0|1,0,1]=4 6298 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000754431 [0,2,0,0,0,0|1,0,1]=4 6299 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000749702_100011215271 [0,2,0,0,0,0|1,0,1]=4 6300 B13R0.175 C=CCNC(=O)CCCC(=O)NCC 1626a_100020586998_100000199580 [0,2,0,0,0,0|1,0,1]=4 6301 B13R0.175 C=CCNC(=O)CCCC(=O)NCC 240690a_100020586998_100000199580 [0,2,0,0,0,0|1,0,1]=4 6302 B13R0.175 C=CCNC(=O)CCCC(=O)NCC 527a_100020586998_100000199580 [0,2,0,0,0,0|1,0,1]=4 6303 B13R0.175 C=CCNC(=O)CCCC(=O)OCC 1626a_100020586998_100000210991 [0,2,0,0,0,0|1,0,1]=4 6304 B13R0.175 C=CCNC(=O)CCCC(=O)OCC 240690a_100020586998_100000210991 [0,2,0,0,0,0|1,0,1]=4 6305 B13R0.175 C=CCNC(=O)CCCC(=O)OCC 527a_100020586998_100000210991 [0,2,0,0,0,0|1,0,1]=4 6306 B13R0.175 C=CCNC(=O)CCNC(C)CCC 2230a_100000741246_100011222895 [0,2,0,0,0,0|1,0,0]=3 6307 B13R0.175 C=CCNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011222895 [0,2,0,0,0,0|2,0,0]=4 6308 B13R0.175 C=CCNC(=O)CCN[C@H](C)COC 2230a_100000764878_100011222895 [0,2,0,0,0,0|2,0,0]=4 6309 B13R0.175 C=CCNC(=O)CCOC(C)CCC 7a_100000764384_100011222895 [0,2,0,0,0,0|1,0,0]=3 6310 B13R0.175 C=CCNC(=O)CCSC(C)CCC 62a_100000766640_100011222895 [0,2,0,0,0,0|1,0,0]=3 6311 B13R0.175 C=CCNC(=O)CCSC(C)CCC 62a_100011222895_100000766640 [0,2,0,0,0,0|1,0,0]=3 6312 B13R0.175 C=CCNC(=O)CCSC(C)CCO 62a_100009893172_100011222895 [0,2,0,0,0,0|2,0,0]=4 6313 B13R0.175 C=CCNC(=O)CCSC(C)CCO 62a_100011222895_100009893172 [0,2,0,0,0,0|2,0,0]=4 6314 B13R0.175 C=CCNC(=O)CCSC(C)COC 62a_100000765312_100011222895 [0,2,0,0,0,0|2,0,0]=4 6315 B13R0.175 C=CCNC(=O)CCSC(C)COC 62a_100011222895_100000765312 [0,2,0,0,0,0|2,0,0]=4 6316 B13R0.175 C=CCNC(=O)CNCC(O)COC 2230a_100000756049_100000183597 [0,2,0,0,0,0|2,0,0]=4 6317 B13R0.175 C=CCNC(=O)COCC(C)CCC 7a_100000688023_100000183597 [0,2,0,0,0,0|1,0,0]=3 6318 B13R0.175 C=CCNC(=O)CSCC(=O)CCC 62a_100000183597_100000747444 [0,2,0,0,0,0|1,0,1]=4 6319 B13R0.175 C=CCNC(=O)CSCC(=O)CCC 62a_100000747444_100000183597 [0,2,0,0,0,0|1,0,1]=4 6320 B13R0.175 C=CCNC(=O)CSCC(C)CCC 62a_100000183597_100011216630 [0,2,0,0,0,0|1,0,0]=3 6321 B13R0.175 C=CCNC(=O)CSCC(C)CCC 62a_100011216630_100000183597 [0,2,0,0,0,0|1,0,0]=3 6322 B13R0.175 C=CCNC(=O)CSCC(O)COC 62a_100000183597_100011215053 [0,2,0,0,0,0|2,0,0]=4 6323 B13R0.175 C=CCNC(=O)CSCC(O)COC 62a_100011215053_100000183597 [0,2,0,0,0,0|2,0,0]=4 6324 B13R0.175 C=CCOC(=O)CNCC(=O)NCC 2230a_100016988866_100000033060 [0,2,0,0,0,0|1,0,1]=4 6325 B13R0.175 C=CCOC(=O)CNCC(O)COC 2230a_100000756049_100000033060 [0,2,0,0,0,0|1,0,0]=3 6326 B13R0.175 C=CCOC(=O)CNCC(O)COC 34a_100000756049_100000033060 [0,2,0,0,0,0|1,0,0]=3 6327 B13R0.175 C=CCOC(=O)COCC(C)CC=C 34a_100009832082_100000033060 [0,2,0,0,0,0|0,0,2]=4 6328 B13R0.175 C=CCOC(=O)COCC(C)CC=C 7a_100009832082_100000033060 [0,2,0,0,0,0|0,0,2]=4 6329 B13R0.175 C=CCOC(=O)COCC(C)CCC 34a_100000688023_100000033060 [0,2,0,0,0,0|0,0,0]=2 6330 B13R0.175 C=CCOC(=O)COCC(C)CCC 7a_100000688023_100000033060 [0,2,0,0,0,0|0,0,0]=2 6331 B13R0.175 C=CCOC(=O)COCC(C)CCN 34a_106354213184_100000033060 [0,2,0,0,0,0|1,0,0]=3 6332 B13R0.175 C=CCOC(=O)COCC(N)COC 34a_100000724102_100000033060 [0,2,0,0,0,0|1,0,0]=3 6333 B13R0.175 C=CCOC(=O)COC[C@@H](N)CCC 34a_100000732646_100000033060 [0,2,0,0,0,0|0,0,0]=2 6334 B13R0.175 C=CCOC(=O)COC[C@H](N)CC=C 34a_100020615467_100000033060 [0,2,0,0,0,0|0,0,2]=4 6335 B13R0.175 C=CCOC(=O)CSCC(=O)CCC 62a_100000033060_100000747444 [0,2,0,0,0,0|0,0,1]=3 6336 B13R0.175 C=CCOC(=O)CSCC(=O)CCC 62a_100000747444_100000033060 [0,2,0,0,0,0|0,0,1]=3 6337 B13R0.175 C=CCOC(=O)CSCC(=O)NCC 62a_100000033060_100000183381 [0,2,0,0,0,0|1,0,1]=4 6338 B13R0.175 C=CCOC(=O)CSCC(=O)NCC 62a_100000183381_100000033060 [0,2,0,0,0,0|1,0,1]=4 6339 B13R0.175 C=CCOC(=O)CSCC(=O)OCC 62a_100000033060_100000188475 [0,2,0,0,0,0|1,0,1]=4 6340 B13R0.175 C=CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000033060 [0,2,0,0,0,0|1,0,1]=4 6341 B13R0.175 C=CCOC(=O)CSCC(C)CCC 62a_100000033060_100011216630 [0,2,0,0,0,0|0,0,0]=2 6342 B13R0.175 C=CCOC(=O)CSCC(C)CCC 62a_100011216630_100000033060 [0,2,0,0,0,0|0,0,0]=2 6343 B13R0.175 C=CCOC(=O)CSCC(O)COC 62a_100000033060_100011215053 [0,2,0,0,0,0|1,0,0]=3 6344 B13R0.175 C=CCOC(=O)CSCC(O)COC 62a_100011215053_100000033060 [0,2,0,0,0,0|1,0,0]=3 6345 B13R0.175 C=CCOC(=O)CSC[C@@H](O)CC#N 62a_100000001066_100000033060 [0,2,0,0,0,0|1,0,1]=4 6346 B13R0.175 C=CCOC(=O)CSC[C@@H](O)CC#N 62a_100000033060_100000001066 [0,2,0,0,0,0|1,0,1]=4 6347 B13R0.175 CCCOC(=O)COCC(C)CCC 34a_100000688023_200011215008 [0,2,0,0,0,0|0,0,2]=4 6348 B13R0.175 CCCOC(=O)COCC(C)CCC 7a_100000688023_200011215008 [0,2,0,0,0,0|0,0,2]=4 6349 B13R0.175 CCCOC(=O)COC[C@@H](N)CCC 34a_100000732646_200011215008 [0,2,0,0,0,0|0,0,2]=4 6350 B13R0.175 CCCOC(=O)CSCC(C)CCC 62a_100011216630_200011215008 [0,2,0,0,0,0|0,0,2]=4 6351 B13R0.175 CCCOC(=O)CSCC(C)CCC 62a_200011215008_100011216630 [0,2,0,0,0,0|0,0,2]=4 6352 B13R0.208 C=C(C)CCC(=O)CCCN(C)CC 1458a_200000688413_100015186262 [0,2,0,0,0,0|2,0,0]=4 6353 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 11a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6354 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 1626a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6355 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 240690a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6356 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 527a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6357 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 2708a_100000765925_100020591266 [0,2,0,0,0,0|2,0,0]=4 6358 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 2708a_100020591266_100000765925 [0,2,0,0,0,0|2,0,0]=4 6359 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 273464a_100000765925_100020591266 [0,2,0,0,0,0|2,0,0]=4 6360 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 273464a_100020591266_100000765925 [0,2,0,0,0,0|2,0,0]=4 6361 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 512a_100000765925_100020591266 [0,2,0,0,0,0|2,0,0]=4 6362 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 512a_100020591266_100000765925 [0,2,0,0,0,0|2,0,0]=4 6363 B13R0.267 C=CCC(C)C(=O)CCCN(C)CC 1458a_100011216819_100015186262 [0,2,0,0,0,0|2,0,0]=4 6364 B13R0.267 C=CCC(C)C(=O)NCCC(C)CC 11a_100020591266_100011216819 [0,2,0,0,0,0|2,0,0]=4 6365 B13R0.267 C=CCC(C)C(=O)NCCC(C)CC 1626a_100020591266_100011216819 [0,2,0,0,0,0|2,0,0]=4 6366 B13R0.267 C=CCC(C)C(=O)NCCC(C)CC 240690a_100020591266_100011216819 [0,2,0,0,0,0|2,0,0]=4 6367 B13R0.267 C=CCC(C)C(=O)NCCC(C)CC 527a_100020591266_100011216819 [0,2,0,0,0,0|2,0,0]=4 6368 B13R0.267 C=CCN(C)C(=O)NCCC(C)CC 2708a_100020591266_100000225617 [0,2,0,0,0,0|2,0,0]=4 6369 B13R0.267 C=CCN(C)C(=O)NCCC(C)CC 273464a_100020591266_100000225617 [0,2,0,0,0,0|2,0,0]=4 6370 B13R0.429 C=CC(C)CC(=O)CCCN(C)CC 1458a_100011934298_100015186262 [0,2,0,0,0,0|2,0,0]=4 6371 B13R0.429 C=CC(C)CC(=O)NCCC(C)CC 11a_100020591266_100011934298 [0,2,0,0,0,0|2,0,0]=4 6372 B13R0.429 C=CC(C)CC(=O)NCCC(C)CC 1626a_100020591266_100011934298 [0,2,0,0,0,0|2,0,0]=4 6373 B13R0.429 C=CC(C)CC(=O)NCCC(C)CC 240690a_100020591266_100011934298 [0,2,0,0,0,0|2,0,0]=4 6374 B13R0.429 C=CC(C)CC(=O)NCCC(C)CC 527a_100020591266_100011934298 [0,2,0,0,0,0|2,0,0]=4 6375 B13R0.685 C=CCNC(=O)CCNC(C)(C)CC 2230a_100000211385_100011222895 [0,2,0,0,0,0|2,0,0]=4 6376 B13R0.685 C=CCNC(=O)CCOC(C)(C)CC 7a_100000210230_100011222895 [0,2,0,0,0,0|2,0,0]=4 6377 B13R0.685 C=CCNC(=O)CCSC(C)(C)CC 62a_100000032637_100011222895 [0,2,0,0,0,0|2,0,0]=4 6378 B13R0.685 C=CCNC(=O)CCSC(C)(C)CC 62a_100011222895_100000032637 [0,2,0,0,0,0|2,0,0]=4 6379 B13R0.685 C=CCNC(=O)COCC(C)(C)CC 7a_100000765029_100000183597 [0,2,0,0,0,0|2,0,0]=4 6380 B13R0.685 C=CCOC(=O)CNCC(C)(C)CO 2230a_100020635058_100000033060 [0,2,0,0,0,0|2,0,0]=4 6381 B13R0.685 C=CCOC(=O)CNCC(C)(C)OC 2230a_100000763424_100000033060 [0,2,0,0,0,0|2,0,0]=4 6382 B13R0.685 C=CCOC(=O)COCC(C)(C)CC 7a_100000765029_100000033060 [0,2,0,0,0,0|1,0,0]=3 6383 B13R0.685 C=CCOC(=O)COCC(C)(C)CCl 7a_100011217199_100000033060 [0,2,0,0,0,0|2,0,0]=4 6384 B13R0.685 C=CCOC(=O)COCC(F)(F)CN 34a_100000703232_100000033060 [0,2,0,0,0,0|2,0,0]=4 6385 B13R0.685 C=CCOC(=O)CSCC(C)(C)CO 62a_100000033060_100009813988 [0,2,0,0,0,0|2,0,0]=4 6386 B13R0.685 C=CCOC(=O)CSCC(C)(C)CO 62a_100009813988_100000033060 [0,2,0,0,0,0|2,0,0]=4 6387 B13R0.685 C=CCOC(=O)CSCC(C)(C)OC 62a_100000033060_100000701081 [0,2,0,0,0,0|2,0,0]=4 6388 B13R0.685 C=CCOC(=O)CSCC(C)(C)OC 62a_100000701081_100000033060 [0,2,0,0,0,0|2,0,0]=4 6389 B13R0.41 C=CCNC(=O)C(C)C(=O)CCCC 1458a_100000210183_100000230288 [0,2,0,0,0,0|1,0,1]=4 6390 B13R0.41 C=CCNC(=O)C(C)N(C)CCCC 2230a_100000207549_100000230288 [0,2,0,0,0,0|2,0,0]=4 6391 B13R0.41 C=CCNC(=O)C(C)N(C)CCCC 269982a_100000207549_100000230288 [0,2,0,0,0,0|2,0,0]=4 6392 B13R0.114 C=CC=CC(=O)CC(CC)CCCC 1458a_100016291481_100000211942 [0,2,0,0,0,0|1,0,1]=4 6393 B13R0.114 C=CCCC(=O)CC(CC)CCCC 1458a_100000749702_100000211942 [0,2,0,0,0,0|1,0,0]=3 6394 B13R0.114 C=CCCC(=O)N[C@H](CO)CCCC 240690a_100011934283_100000749702 [0,2,0,0,0,0|2,0,0]=4 6395 B13R0.114 C=CCCC(=O)N[C@H](CO)CCCC 527a_100011934283_100000749702 [0,2,0,0,0,0|2,0,0]=4 6396 B13R0.114 C=CCNC(=O)CN(CC)CCCC 2230a_100000207695_100000183597 [0,2,0,0,0,0|2,0,0]=4 6397 B13R0.114 C=CCNC(=O)CN(CC)CCCC 269982a_100000207695_100000183597 [0,2,0,0,0,0|2,0,0]=4 6398 B13R0.114 C=CCNC(=O)N[C@H](CO)CCCC 273464a_100011934283_100020586998 [0,2,0,0,0,0|2,0,0]=4 6399 B13R0.114 C=CCNC(=O)N[C@H](CO)CCCC 273464a_100020586998_100011934283 [0,2,0,0,0,0|2,0,0]=4 6400 B13R0.114 C=CCNC(=O)N[C@H](CO)CCCC 512a_100011934283_100020586998 [0,2,0,0,0,0|2,0,0]=4 6401 B13R0.114 C=CCNC(=O)N[C@H](CO)CCCC 512a_100020586998_100011934283 [0,2,0,0,0,0|2,0,0]=4 6402 B13R0.114 C=CCOC(=O)CN(CC)CCCC 2230a_100000207695_100000033060 [0,2,0,0,0,0|1,0,0]=3 6403 B13R0.114 C=CCOC(=O)CN(CC)CCCC 269982a_100000207695_100000033060 [0,2,0,0,0,0|1,0,0]=3 6404 B13R0.114 C=CCOC(=O)CN(CC)CCOC 2230a_100000731262_100000033060 [0,2,0,0,0,0|2,0,0]=4 6405 B13R0.114 C=CCOC(=O)CN(CC)CCOC 269982a_100000731262_100000033060 [0,2,0,0,0,0|2,0,0]=4 6406 B13R0.114 C=CCOC(C)CC(CC)CCCC 7a_200011290772_100015514636 [0,2,0,0,0,0|1,0,1]=4 6407 B13R0.707 C=CCCC(=O)C[Si](C)(C)CCCC 1458a_100000749702_200000073895 [0,2,0,0,0,0|1,1,0]=4 6408 B13R0.272 C=CCOC(C=C)CCCCCCC 34a_200011934235_100015514636 [0,2,0,0,0,0|1,0,1]=4 6409 B13R0.272 C=CCOC(C=C)CCCCCCC 7a_200011934235_100015514636 [0,2,0,0,0,0|1,0,1]=4 6410 B13R0.272 C=CCOC(CC)CCCCCCC 34a_200011217053_100015514636 [0,2,0,0,0,0|1,0,1]=4 6411 B13R0.272 C=CCOC(CC)CCCCCCC 7a_200011217053_100015514636 [0,2,0,0,0,0|1,0,1]=4 6412 B13R0.279 C=CCOC(CCC)CCCCCC 34a_200011215193_100015514636 [0,2,0,0,0,0|1,0,1]=4 6413 B13R0.279 C=CCOC(CCC)CCCCCC 7a_200011215193_100015514636 [0,2,0,0,0,0|1,0,1]=4 6414 B13R0.285 C=C(C)COC(CC)CCCCCC 34a_100011215785_100000748629 [0,2,0,0,0,0|1,0,1]=4 6415 B13R0.285 C=C(C)COC(CC)CCCCCC 7a_100011215785_100000748629 [0,2,0,0,0,0|1,0,1]=4 6416 B13R0.285 C=C(F)COC(CC)CCCCCC 34a_100011215785_100009893438 [0,2,0,0,0,0|1,0,1]=4 6417 B13R0.285 C=C(F)COC(CC)CCCCCC 7a_100011215785_100000042424 [0,2,0,0,0,0|1,0,1]=4 6418 B13R0.285 C=CC(CCCCCC)OCC(=C)C 34a_200011215977_100000748629 [0,2,0,0,0,0|1,0,1]=4 6419 B13R0.285 C=CC(CCCCCC)OCC(=C)C 7a_200011215977_100000748629 [0,2,0,0,0,0|1,0,1]=4 6420 B13R0.285 C=CC(CCCCCC)OCC(=C)F 34a_200011215977_100009893438 [0,2,0,0,0,0|1,0,1]=4 6421 B13R0.285 C=CC(CCCCCC)OCC(=C)F 7a_200011215977_100000042424 [0,2,0,0,0,0|1,0,1]=4 6422 B13R0.1984 C#CC(C)(CCCCCC)OCC=C 34a_200000042405_100015514636 [0,2,0,0,0,0|1,0,1]=4 6423 B13R0.1984 C#CC(C)(CCCCCC)OCC=C 7a_200000042405_100015514636 [0,2,0,0,0,0|1,0,1]=4 6424 B13R0.151 C=CC(C)CC(=O)C(C)CCCCC 1458a_100011934298_200011218191 [0,2,0,0,0,0|1,0,0]=3 6425 B13R0.151 C=CC(C)CC(=O)N(C)CCCCC 11a_100000223495_100011934298 [0,2,0,0,0,0|2,0,0]=4 6426 B13R0.151 C=CC(C)CC(=O)N(C)CCCCC 1626a_100000223495_100011934298 [0,2,0,0,0,0|2,0,0]=4 6427 B13R0.151 C=CC(C)CC(=O)N(C)CCCCC 240690a_100000223495_100011934298 [0,2,0,0,0,0|2,0,0]=4 6428 B13R0.151 C=CC(C)CC(=O)N(C)CCCCC 527a_100000223495_100011934298 [0,2,0,0,0,0|2,0,0]=4 6429 B13R0.274 C#CCCCCCC(=O)CC(C)C=C 1458a_100011934298_100012094781 [0,2,0,0,0,0|1,0,1]=4 6430 B13R0.274 C=CC(=O)CC(=O)NCCCCCC 1458a_100000185746_100000230325 [0,2,0,0,0,0|1,0,1]=4 6431 B13R0.274 C=CC(C)CC(=O)CCCCCC#N 1458a_100011934298_100009813376 [0,2,0,0,0,0|1,0,1]=4 6432 B13R0.274 C=CC(C)CC(=O)CCCCCCC 1458a_100011934298_100000210614 [0,2,0,0,0,0|1,0,0]=3 6433 B13R0.274 C=CC(C)CC(=O)CCCCCCF 1458a_100011934298_100015922095 [0,2,0,0,0,0|1,0,0]=3 6434 B13R0.274 C=CC(C)CC(=O)CCCCCCO 1458a_100011934298_100000766143 [0,2,0,0,0,0|1,0,0]=3 6435 B13R0.274 C=CC(C)CC(=O)CCOCCCC 1458a_100011934298_100000743108 [0,2,0,0,0,0|1,0,0]=3 6436 B13R0.274 C=CC(C)CC(=O)CCOCCOC 1458a_100011934298_100000695917 [0,2,0,0,0,0|2,0,0]=4 6437 B13R0.274 C=CC(C)CC(=O)NCCCCCC 11a_100000210581_100011934298 [0,2,0,0,0,0|1,0,0]=3 6438 B13R0.274 C=CC(C)CC(=O)NCCCCCC 1626a_100000210581_100011934298 [0,2,0,0,0,0|1,0,0]=3 6439 B13R0.274 C=CC(C)CC(=O)NCCCCCC 240690a_100000210581_100011934298 [0,2,0,0,0,0|1,0,0]=3 6440 B13R0.274 C=CC(C)CC(=O)NCCCCCC 527a_100000210581_100011934298 [0,2,0,0,0,0|1,0,0]=3 6441 B13R0.274 C=CC(C)CC(=O)NCCCCCO 240690a_100000762737_100011934298 [0,2,0,0,0,0|2,0,0]=4 6442 B13R0.274 C=CC(C)CC(=O)NCCCOCC 11a_100000210961_100011934298 [0,2,0,0,0,0|2,0,0]=4 6443 B13R0.274 C=CC(C)CC(=O)NCCCOCC 1626a_100000210961_100011934298 [0,2,0,0,0,0|2,0,0]=4 6444 B13R0.274 C=CC(C)CC(=O)NCCCOCC 240690a_100000210961_100011934298 [0,2,0,0,0,0|2,0,0]=4 6445 B13R0.274 C=CC(C)CC(=O)NCCCOCC 527a_100000210961_100011934298 [0,2,0,0,0,0|2,0,0]=4 6446 B13R0.274 C=CC(C)CC(=O)NCCOCCC 1626a_100161115042_100011934298 [0,2,0,0,0,0|2,0,0]=4 6447 B13R0.274 C=CC(C)CC(=O)NCCOCCC 240690a_100161115042_100011934298 [0,2,0,0,0,0|2,0,0]=4 6448 B13R0.274 C=CC(C)CC(=O)NCCOCCC 527a_100161115042_100011934298 [0,2,0,0,0,0|2,0,0]=4 6449 B13R0.274 C=CC(C)CC(=O)NCCSCCC 11a_100020603323_100011934298 [0,2,0,0,0,0|2,0,0]=4 6450 B13R0.274 C=CC(C)CC(=O)NCCSCCC 240690a_100020603323_100011934298 [0,2,0,0,0,0|2,0,0]=4 6451 B13R0.274 C=CC(C)CC(=O)NCCSCCC 527a_100020603323_100011934298 [0,2,0,0,0,0|2,0,0]=4 6452 B13R0.274 C=CC(C)CC(=O)NNCCCCC 22a_100000694160_100011934298 [0,2,0,0,0,0|2,0,0]=4 6453 B13R0.274 C=CC(C)OC(C)CCCCCCC 34a_100000695699_200011218727 [0,2,0,0,0,0|1,0,1]=4 6454 B13R0.274 C=CCCCCCC(=O)CC(C)C=C 1458a_100011934298_100000700193 [0,2,0,0,0,0|1,0,1]=4 6455 B13R0.284 CCCCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100102632555 [0,2,0,0,0,0|2,0,0]=4 6456 B13R0.284 CCCCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100102632555 [0,2,0,0,0,0|2,0,0]=4 6457 B13R0.284 CCCCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100102632555 [0,2,0,0,0,0|2,0,0]=4 6458 B13R0.439 C=CC(C=C)OC(C)CCCCCC 34a_100000033096_100011215978 [0,2,0,0,0,0|1,0,1]=4 6459 B13R0.439 C=CC(CC)OC(C)CCCCCC 34a_100000766422_100011215978 [0,2,0,0,0,0|1,0,1]=4 6460 B13R0.439 C=CC(CC)OC(C)CCCCCC 7a_100000766422_100011215978 [0,2,0,0,0,0|1,0,1]=4 6461 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCC 240690a_100016989147_100102632555 [0,2,0,0,0,0|1,0,0]=3 6462 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCC 527a_100016989147_100102632555 [0,2,0,0,0,0|1,0,0]=3 6463 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCO 240690a_100016989147_100102619762 [0,2,0,0,0,0|2,0,0]=4 6464 B13R0.439 C=C[C@@H](CO)NC(=O)COCCCC 240690a_100016989147_100000757543 [0,2,0,0,0,0|2,0,0]=4 6465 B13R0.439 C=C[C@@H](CO)NC(=O)COCCCC 527a_100016989147_100000757543 [0,2,0,0,0,0|2,0,0]=4 6466 B13R0.439 C=C[C@@H](CO)NC(=O)CSCCCC 240690a_100016989147_100000191162 [0,2,0,0,0,0|2,0,0]=4 6467 B13R0.439 C=C[C@@H](CO)NC(=O)CSCCCC 527a_100016989147_100000191162 [0,2,0,0,0,0|2,0,0]=4 6468 B13R0.439 C=C[C@@H](CO)NC(=O)NCCCCC 2708a_100000209983_100016989147 [0,2,0,0,0,0|2,0,0]=4 6469 B13R0.439 C=C[C@@H](CO)NC(=O)NCCCCC 273464a_100000209983_100016989147 [0,2,0,0,0,0|2,0,0]=4 6470 B13R0.439 C=C[C@@H](CO)NC(=O)NCCCCC 273464a_100016989147_100000209983 [0,2,0,0,0,0|2,0,0]=4 6471 B13R0.439 C=C[C@@H](CO)NC(=O)NCCCCC 512a_100000209983_100016989147 [0,2,0,0,0,0|2,0,0]=4 6472 B13R0.1241 C=CC(C)(C)OC(C)CCCCCC 34a_100011215311_100011215978 [0,2,0,0,0,0|1,0,1]=4 6473 B13R0.1241 C=CC(C)(C)OC(C)CCCCCC 7a_100011215311_100011215978 [0,2,0,0,0,0|1,0,1]=4 6474 B13R0.1241 C=C[Si](C)(C)CC(=O)CCCCCC 1458a_100102632555_100000038793 [0,2,0,0,0,0|1,1,0]=4 6475 B13R0.275 C#CCCCCCC(=O)C(C)CC=C 1458a_100011216819_100012094781 [0,2,0,0,0,0|1,0,1]=4 6476 B13R0.275 C#CCCCCCC(=O)N(C)CC=C 11a_100000225617_100000694772 [0,2,0,0,0,0|1,0,1]=4 6477 B13R0.275 C#CCCCCCC(=O)N(C)CC=C 1626a_100000225617_100000694772 [0,2,0,0,0,0|1,0,1]=4 6478 B13R0.275 C#CCCCCCC(=O)N(C)CC=C 240690a_100000225617_100000694772 [0,2,0,0,0,0|1,0,1]=4 6479 B13R0.275 C#CCCCCCC(=O)N(C)CC=C 527a_100000225617_100000694772 [0,2,0,0,0,0|1,0,1]=4 6480 B13R0.275 C=CCC(C)C(=O)CCCCCC#N 1458a_100011216819_100009813376 [0,2,0,0,0,0|1,0,1]=4 6481 B13R0.275 C=CCC(C)C(=O)CCCCCCC 1458a_100011216819_100000210614 [0,2,0,0,0,0|1,0,0]=3 6482 B13R0.275 C=CCC(C)C(=O)CCCCCCF 1458a_100011216819_100015922095 [0,2,0,0,0,0|1,0,0]=3 6483 B13R0.275 C=CCC(C)C(=O)CCCCCCO 1458a_100011216819_100000766143 [0,2,0,0,0,0|1,0,0]=3 6484 B13R0.275 C=CCC(C)C(=O)CCOCCCC 1458a_100011216819_100000743108 [0,2,0,0,0,0|1,0,0]=3 6485 B13R0.275 C=CCC(C)C(=O)CCOCCOC 1458a_100011216819_100000695917 [0,2,0,0,0,0|2,0,0]=4 6486 B13R0.275 C=CCC(C)C(=O)NCCCCCC 11a_100000210581_100011216819 [0,2,0,0,0,0|1,0,0]=3 6487 B13R0.275 C=CCC(C)C(=O)NCCCCCC 1626a_100000210581_100011216819 [0,2,0,0,0,0|1,0,0]=3 6488 B13R0.275 C=CCC(C)C(=O)NCCCCCC 240690a_100000210581_100011216819 [0,2,0,0,0,0|1,0,0]=3 6489 B13R0.275 C=CCC(C)C(=O)NCCCCCC 527a_100000210581_100011216819 [0,2,0,0,0,0|1,0,0]=3 6490 B13R0.275 C=CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011216819 [0,2,0,0,0,0|2,0,0]=4 6491 B13R0.275 C=CCC(C)C(=O)NCCCOCC 11a_100000210961_100011216819 [0,2,0,0,0,0|2,0,0]=4 6492 B13R0.275 C=CCC(C)C(=O)NCCCOCC 1626a_100000210961_100011216819 [0,2,0,0,0,0|2,0,0]=4 6493 B13R0.275 C=CCC(C)C(=O)NCCCOCC 240690a_100000210961_100011216819 [0,2,0,0,0,0|2,0,0]=4 6494 B13R0.275 C=CCC(C)C(=O)NCCCOCC 527a_100000210961_100011216819 [0,2,0,0,0,0|2,0,0]=4 6495 B13R0.275 C=CCC(C)C(=O)NCCOCCC 1626a_100161115042_100011216819 [0,2,0,0,0,0|2,0,0]=4 6496 B13R0.275 C=CCC(C)C(=O)NCCOCCC 240690a_100161115042_100011216819 [0,2,0,0,0,0|2,0,0]=4 6497 B13R0.275 C=CCC(C)C(=O)NCCOCCC 527a_100161115042_100011216819 [0,2,0,0,0,0|2,0,0]=4 6498 B13R0.275 C=CCC(C)C(=O)NCCSCCC 11a_100020603323_100011216819 [0,2,0,0,0,0|2,0,0]=4 6499 B13R0.275 C=CCC(C)C(=O)NCCSCCC 240690a_100020603323_100011216819 [0,2,0,0,0,0|2,0,0]=4 6500 B13R0.275 C=CCC(C)C(=O)NCCSCCC 527a_100020603323_100011216819 [0,2,0,0,0,0|2,0,0]=4 6501 B13R0.275 C=CCC(C)C(=O)NNCCCCC 22a_100000694160_100011216819 [0,2,0,0,0,0|2,0,0]=4 6502 B13R0.275 C=CCCCCCC(=O)C(C)CC=C 1458a_100011216819_100000700193 [0,2,0,0,0,0|1,0,1]=4 6503 B13R0.275 C=CCCCCCC(=O)N(C)CC=C 11a_100000225617_100011934241 [0,2,0,0,0,0|1,0,1]=4 6504 B13R0.275 C=CCCCCCC(=O)N(C)CC=C 1626a_100000225617_100011934241 [0,2,0,0,0,0|1,0,1]=4 6505 B13R0.275 C=CCCCCCC(=O)N(C)CC=C 240690a_100000225617_100011934241 [0,2,0,0,0,0|1,0,1]=4 6506 B13R0.275 C=CCCCCCC(=O)N(C)CC=C 527a_100000225617_100011934241 [0,2,0,0,0,0|1,0,1]=4 6507 B13R0.275 C=CCN(C)C(=O)C#CCCCCC 240690a_100000225617_100011215388 [0,2,0,0,0,0|1,0,1]=4 6508 B13R0.275 C=CCN(C)C(=O)C/C=C/CCCC 11a_100000225617_200016282684 [0,2,0,0,0,0|1,0,1]=4 6509 B13R0.275 C=CCN(C)C(=O)C/C=C/CCCC 1626a_100000225617_200016282684 [0,2,0,0,0,0|1,0,1]=4 6510 B13R0.275 C=CCN(C)C(=O)C/C=C/CCCC 240690a_100000225617_200016282684 [0,2,0,0,0,0|1,0,1]=4 6511 B13R0.275 C=CCN(C)C(=O)C/C=C/CCCC 527a_100000225617_200016282684 [0,2,0,0,0,0|1,0,1]=4 6512 B13R0.275 C=CCN(C)C(=O)C=CCCCCC 11a_100000225617_100016263427 [0,2,0,0,0,0|1,0,1]=4 6513 B13R0.275 C=CCN(C)C(=O)C=CCCCCC 1626a_100000225617_100016263427 [0,2,0,0,0,0|1,0,1]=4 6514 B13R0.275 C=CCN(C)C(=O)C=CCCCCC 240690a_100000225617_100016263427 [0,2,0,0,0,0|1,0,1]=4 6515 B13R0.275 C=CCN(C)C(=O)CCCCCCC 11a_100000225617_100000211969 [0,2,0,0,0,0|1,0,0]=3 6516 B13R0.275 C=CCN(C)C(=O)CCCCCCC 1626a_100000225617_100000211969 [0,2,0,0,0,0|1,0,0]=3 6517 B13R0.275 C=CCN(C)C(=O)CCCCCCC 240690a_100000225617_100000211969 [0,2,0,0,0,0|1,0,0]=3 6518 B13R0.275 C=CCN(C)C(=O)CCCCCCC 527a_100000225617_100000211969 [0,2,0,0,0,0|1,0,0]=3 6519 B13R0.275 C=CCN(C)C(=O)CCCCCCO 240690a_100000225617_100011996774 [0,2,0,0,0,0|1,0,0]=3 6520 B13R0.275 C=CCN(C)C(=O)CCCCCOC 11a_100000225617_100011935119 [0,2,0,0,0,0|1,0,0]=3 6521 B13R0.275 C=CCN(C)C(=O)CCCCCOC 1626a_100000225617_100011935119 [0,2,0,0,0,0|1,0,0]=3 6522 B13R0.275 C=CCN(C)C(=O)CCCCCOC 240690a_100000225617_100011935119 [0,2,0,0,0,0|1,0,0]=3 6523 B13R0.275 C=CCN(C)C(=O)CCCCCOC 527a_100000225617_100011935119 [0,2,0,0,0,0|1,0,0]=3 6524 B13R0.275 C=CCN(C)C(=O)CCOCCOC 11a_100000225617_100000745395 [0,2,0,0,0,0|2,0,0]=4 6525 B13R0.275 C=CCN(C)C(=O)CCOCCOC 1626a_100000225617_100000745395 [0,2,0,0,0,0|2,0,0]=4 6526 B13R0.275 C=CCN(C)C(=O)CCOCCOC 240690a_100000225617_100000745395 [0,2,0,0,0,0|2,0,0]=4 6527 B13R0.275 C=CCN(C)C(=O)CCOCCOC 527a_100000225617_100000745395 [0,2,0,0,0,0|2,0,0]=4 6528 B13R0.275 C=CCN(C)C(=O)NCCCCCC 2708a_100000210581_100000225617 [0,2,0,0,0,0|1,0,0]=3 6529 B13R0.275 C=CCN(C)C(=O)NCCCCCC 273464a_100000210581_100000225617 [0,2,0,0,0,0|1,0,0]=3 6530 B13R0.275 C=CCN(C)C(=O)NCCCCCO 273464a_100000762737_100000225617 [0,2,0,0,0,0|2,0,0]=4 6531 B13R0.275 C=CCN(C)C(=O)NCCCOCC 2708a_100000210961_100000225617 [0,2,0,0,0,0|2,0,0]=4 6532 B13R0.275 C=CCN(C)C(=O)NCCCOCC 273464a_100000210961_100000225617 [0,2,0,0,0,0|2,0,0]=4 6533 B13R0.275 C=CCN(C)C(=O)NCCOCCC 2708a_100161115042_100000225617 [0,2,0,0,0,0|2,0,0]=4 6534 B13R0.275 C=CCN(C)C(=O)NCCOCCC 273464a_100161115042_100000225617 [0,2,0,0,0,0|2,0,0]=4 6535 B13R0.275 C=CCN(C)C(=O)NCCSCCC 2708a_100020603323_100000225617 [0,2,0,0,0,0|2,0,0]=4 6536 B13R0.275 C=CCN(C)C(=O)NCCSCCC 273464a_100020603323_100000225617 [0,2,0,0,0,0|2,0,0]=4 6537 B13R0.438 C=C(C)CN(C)C(=O)CCCCCC 11a_100000225649_100102632555 [0,2,0,0,0,0|1,0,0]=3 6538 B13R0.438 C=C(C)CN(C)C(=O)CCCCCC 1626a_100000225649_100102632555 [0,2,0,0,0,0|1,0,0]=3 6539 B13R0.438 C=C(C)CN(C)C(=O)CCCCCC 527a_100000225649_100102632555 [0,2,0,0,0,0|1,0,0]=3 6540 B13R0.438 C=C(C)CN(C)C(=O)COCCCC 11a_100000225649_100000757543 [0,2,0,0,0,0|2,0,0]=4 6541 B13R0.438 C=C(C)CN(C)C(=O)COCCCC 1626a_100000225649_100000757543 [0,2,0,0,0,0|2,0,0]=4 6542 B13R0.438 C=C(C)CN(C)C(=O)COCCCC 527a_100000225649_100000757543 [0,2,0,0,0,0|2,0,0]=4 6543 B13R0.438 C=C(C)CN(C)C(=O)CSCCCC 11a_100000225649_100000191162 [0,2,0,0,0,0|2,0,0]=4 6544 B13R0.438 C=C(C)CN(C)C(=O)CSCCCC 1626a_100000225649_100000191162 [0,2,0,0,0,0|2,0,0]=4 6545 B13R0.438 C=C(C)CN(C)C(=O)CSCCCC 527a_100000225649_100000191162 [0,2,0,0,0,0|2,0,0]=4 6546 B13R0.438 C=C(C)CN(C)C(=O)NCCCCC 2708a_100000209983_100000225649 [0,2,0,0,0,0|2,0,0]=4 6547 B13R0.438 C=C(C)CN(C)C(=O)NCCCCC 273464a_100000209983_100000225649 [0,2,0,0,0,0|2,0,0]=4 6548 B13R0.438 CCCCCCC(=O)N(C)CC(=O)N 11a_100000739694_100102632555 [0,2,0,0,0,0|2,0,0]=4 6549 B13R0.438 CCCCCCC(=O)N(C)CC(=O)N 527a_100000739694_100102632555 [0,2,0,0,0,0|2,0,0]=4 6550 B13R0.806 C=CCN(C)S(=O)(=O)CCCCCC 270084a_100000225617_100011361803 [0,2,0,0,0,0|2,0,0]=4 6551 B13R0.806 C=CCN(C)S(=O)(=O)CCCCCC 274078a_100000225617_100011361803 [0,2,0,0,0,0|2,0,0]=4 6552 B13R0.1182 C=CCC(C)(C)C(=O)CCCCCC 1458a_100000705796_100000210757 [0,2,0,0,0,0|1,0,0]=3 6553 B13R0.1182 C=CCC(C)(C)C(=O)CCCCCF 1458a_100000705796_100000729378 [0,2,0,0,0,0|2,0,0]=4 6554 B13R0.1182 C=CCC(C)(C)C(=O)CCCCCO 1458a_100000705796_100000746330 [0,2,0,0,0,0|2,0,0]=4 6555 B13R0.1182 C=CCC(C)(C)C(=O)CCCCOC 1458a_100000705796_100000755781 [0,2,0,0,0,0|2,0,0]=4 6556 B13R0.1182 C=CCC(C)(C)C(=O)CCCOCC 1458a_100000705796_100012232248 [0,2,0,0,0,0|2,0,0]=4 6557 B13R0.1182 C=CCC(C)(C)C(=O)CCOCCC 1458a_100000705796_100011215938 [0,2,0,0,0,0|2,0,0]=4 6558 B13R0.1182 C=CCC(C)(C)C(=O)COCCCC 1458a_100000705796_100011995733 [0,2,0,0,0,0|2,0,0]=4 6559 B13R0.1182 C=CCC(C)(C)C(=O)NCCCCC 11a_100000209983_100000705796 [0,2,0,0,0,0|2,0,0]=4 6560 B13R0.1182 C=CCC(C)(C)C(=O)NCCCCC 1626a_100000209983_100000705796 [0,2,0,0,0,0|2,0,0]=4 6561 B13R0.1182 C=CCC(C)(C)C(=O)NCCCCC 240690a_100000209983_100000705796 [0,2,0,0,0,0|2,0,0]=4 6562 B13R0.1182 C=CCC(C)(C)C(=O)NCCCCC 527a_100000209983_100000705796 [0,2,0,0,0,0|2,0,0]=4 6563 B13R0.1182 C=CCC(F)(F)C(=O)CCCCCC 1458a_100000062105_100000210757 [0,2,0,0,0,0|1,0,0]=3 6564 B13R0.1182 C=CCC(F)(F)C(=O)CCCCCF 1458a_100000062105_100000729378 [0,2,0,0,0,0|2,0,0]=4 6565 B13R0.1182 C=CCC(F)(F)C(=O)CCCCCO 1458a_100000062105_100000746330 [0,2,0,0,0,0|2,0,0]=4 6566 B13R0.1182 C=CCC(F)(F)C(=O)CCCCOC 1458a_100000062105_100000755781 [0,2,0,0,0,0|2,0,0]=4 6567 B13R0.1182 C=CCC(F)(F)C(=O)CCCOCC 1458a_100000062105_100012232248 [0,2,0,0,0,0|2,0,0]=4 6568 B13R0.1182 C=CCC(F)(F)C(=O)CCOCCC 1458a_100000062105_100011215938 [0,2,0,0,0,0|2,0,0]=4 6569 B13R0.1182 C=CCC(F)(F)C(=O)COCCCC 1458a_100000062105_100011995733 [0,2,0,0,0,0|2,0,0]=4 6570 B13R0.1182 C=CCC(F)(F)C(=O)NCCCCC 11a_100000209983_100000062105 [0,2,0,0,0,0|2,0,0]=4 6571 B13R0.1182 C=CCC(F)(F)C(=O)NCCCCC 1626a_100000209983_100000062105 [0,2,0,0,0,0|2,0,0]=4 6572 B13R0.1182 C=CCC(F)(F)C(=O)NCCCCC 240690a_100000209983_100000062105 [0,2,0,0,0,0|2,0,0]=4 6573 B13R0.1182 C=CCC(F)(F)C(=O)NCCCCC 527a_100000209983_100000062105 [0,2,0,0,0,0|2,0,0]=4 6574 B13R0.1283 C=CCC(C)C(=O)C(C)CCCCC 1458a_100011216819_200011218191 [0,2,0,0,0,0|1,0,0]=3 6575 B13R0.1283 C=CCC(C)C(=O)N(C)CCCCC 11a_100000223495_100011216819 [0,2,0,0,0,0|2,0,0]=4 6576 B13R0.1283 C=CCC(C)C(=O)N(C)CCCCC 1626a_100000223495_100011216819 [0,2,0,0,0,0|2,0,0]=4 6577 B13R0.1283 C=CCC(C)C(=O)N(C)CCCCC 240690a_100000223495_100011216819 [0,2,0,0,0,0|2,0,0]=4 6578 B13R0.1283 C=CCC(C)C(=O)N(C)CCCCC 527a_100000223495_100011216819 [0,2,0,0,0,0|2,0,0]=4 6579 B13R0.1283 C=CCN(C)C(=O)C(C)CCCCC 11a_100000225617_100011215998 [0,2,0,0,0,0|1,0,0]=3 6580 B13R0.1283 C=CCN(C)C(=O)C(C)CCCCC 1626a_100000225617_100011215998 [0,2,0,0,0,0|1,0,0]=3 6581 B13R0.1283 C=CCN(C)C(=O)C(C)CCCCC 240690a_100000225617_100011215998 [0,2,0,0,0,0|1,0,0]=3 6582 B13R0.1283 C=CCN(C)C(=O)C(C)CCCCC 527a_100000225617_100011215998 [0,2,0,0,0,0|1,0,0]=3 6583 B13R0.1283 C=CCN(C)C(=O)C(C)SCCCC 11a_100000225617_100000191163 [0,2,0,0,0,0|2,0,0]=4 6584 B13R0.1283 C=CCN(C)C(=O)C(C)SCCCC 1626a_100000225617_100000191163 [0,2,0,0,0,0|2,0,0]=4 6585 B13R0.1283 C=CCN(C)C(=O)C(C)SCCCC 240690a_100000225617_100000191163 [0,2,0,0,0,0|2,0,0]=4 6586 B13R0.1283 C=CCN(C)C(=O)C(C)SCCCC 527a_100000225617_100000191163 [0,2,0,0,0,0|2,0,0]=4 6587 B13R0.66 C#CCCCCCCC(=O)C=CC=C 1458a_100016291481_100012276617 [0,2,0,0,0,0|1,0,1]=4 6588 B13R0.66 C#CCCCCCCC(=O)CCC=C 1458a_100000034748_100000754431 [0,2,0,0,0,0|1,0,0]=3 6589 B13R0.66 C#CCCCCCCC(=O)CCC=C 1458a_100000749702_100012276617 [0,2,0,0,0,0|1,0,0]=3 6590 B13R0.66 C#CCCCCCCC(=O)NCC=C 1626a_100020586998_100000034748 [0,2,0,0,0,0|1,0,0]=3 6591 B13R0.66 C#CCCCCCCC(=O)NCC=C 240690a_100020586998_100000034748 [0,2,0,0,0,0|1,0,0]=3 6592 B13R0.66 C#CCCCCCCC(=O)NCC=C 527a_100020586998_100000034748 [0,2,0,0,0,0|1,0,0]=3 6593 B13R0.66 C#CCCCCNCC(=O)NCC=C 2230a_100000706060_100000183597 [0,2,0,0,0,0|1,0,1]=4 6594 B13R0.66 C#CCCCCNCC(=O)OCC=C 2230a_100000706060_100000033060 [0,2,0,0,0,0|0,0,1]=3 6595 B13R0.66 C#CCCCCNCC(=O)OCC=C 34a_100000706060_100000033060 [0,2,0,0,0,0|0,0,1]=3 6596 B13R0.66 C#CCCCCOCC(=O)NCC=C 7a_100000766709_100000183597 [0,2,0,0,0,0|1,0,1]=4 6597 B13R0.66 C#CCCCCOCC(=O)OCC=C 34a_100000766709_100000033060 [0,2,0,0,0,0|0,0,1]=3 6598 B13R0.66 C#CCCCCOCC(=O)OCC=C 7a_100000766709_100000033060 [0,2,0,0,0,0|0,0,1]=3 6599 B13R0.66 C#CCCCCSCC(=O)NCC=C 62a_100000183597_100010269958 [0,2,0,0,0,0|1,0,1]=4 6600 B13R0.66 C#CCCCCSCC(=O)NCC=C 62a_100010269958_100000183597 [0,2,0,0,0,0|1,0,1]=4 6601 B13R0.66 C#CCCCCSCC(=O)OCC=C 62a_100000033060_100010269958 [0,2,0,0,0,0|0,0,1]=3 6602 B13R0.66 C#CCCCCSCC(=O)OCC=C 62a_100010269958_100000033060 [0,2,0,0,0,0|0,0,1]=3 6603 B13R0.66 C#CCCCOCCC(=O)NCC=C 7a_100000215630_100011222895 [0,2,0,0,0,0|1,0,1]=4 6604 B13R0.66 C#CCCCSCCC(=O)NCC=C 62a_100011215417_100011222895 [0,2,0,0,0,0|1,0,1]=4 6605 B13R0.66 C#CCCCSCCC(=O)NCC=C 62a_100011222895_100011215417 [0,2,0,0,0,0|1,0,1]=4 6606 B13R0.66 C#CCOCCNCC(=O)OCC=C 2230a_100000700922_100000033060 [0,2,0,0,0,0|0,0,2]=4 6607 B13R0.66 C#CCOCCNCC(=O)OCC=C 34a_100000700922_100000033060 [0,2,0,0,0,0|0,0,2]=4 6608 B13R0.66 C#CCOCCOCC(=O)OCC=C 34a_100000054580_100000033060 [0,2,0,0,0,0|0,0,2]=4 6609 B13R0.66 C#CCOCCOCC(=O)OCC=C 7a_100000054580_100000033060 [0,2,0,0,0,0|0,0,2]=4 6610 B13R0.66 C#CCOCCSCC(=O)OCC=C 62a_100000033060_100010402529 [0,2,0,0,0,0|0,0,2]=4 6611 B13R0.66 C#CCOCCSCC(=O)OCC=C 62a_100010402529_100000033060 [0,2,0,0,0,0|0,0,2]=4 6612 B13R0.66 C=CC=CC(=O)CC#CCCCCC 1458a_100016291481_100009816472 [0,2,0,0,0,0|1,0,1]=4 6613 B13R0.66 C=CC=CC(=O)CCCCCCC#N 1458a_100016291481_100009813337 [0,2,0,0,0,0|1,0,1]=4 6614 B13R0.66 C=CC=CC(=O)CCCCCCC=C 1458a_100016291481_100011215473 [0,2,0,0,0,0|1,0,1]=4 6615 B13R0.66 C=CC=CC(=O)CCCCCCCC 1458a_100016291481_100000210759 [0,2,0,0,0,0|1,0,1]=4 6616 B13R0.66 C=CC=CC(=O)CCCCCCCO 1458a_100016291481_100000760002 [0,2,0,0,0,0|1,0,1]=4 6617 B13R0.66 C=CC=CC(=O)CCCCCCOC 1458a_100016291481_100011998445 [0,2,0,0,0,0|1,0,1]=4 6618 B13R0.66 C=CC=CC(=O)CCCOCCOC 1458a_100016291481_100011216529 [0,2,0,0,0,0|1,0,1]=4 6619 B13R0.66 C=CC=CC(=O)CCOCCOCC 1458a_100016291481_100011211534 [0,2,0,0,0,0|1,0,1]=4 6620 B13R0.66 C=CC=CC(=O)NCCCCCCC 1626a_100000229938_100016291481 [0,2,0,0,0,0|1,0,1]=4 6621 B13R0.66 C=CC=CC(=O)NCCCCCOC 1626a_100000747528_100016291481 [0,2,0,0,0,0|1,0,1]=4 6622 B13R0.66 C=CC=CC(=O)NCCCOCCC 1626a_100011217757_100016291481 [0,2,0,0,0,0|1,0,1]=4 6623 B13R0.66 C=CC=CC(=O)NCCSCCCC 1626a_100025743550_100016291481 [0,2,0,0,0,0|1,0,1]=4 6624 B13R0.66 C=CCCC(=O)C/C=C/CCCCC 1458a_100020675968_100000754431 [0,2,0,0,0,0|1,0,0]=3 6625 B13R0.66 C=CCCC(=O)C=CCCCCCC 1458a_200015324643_100000754431 [0,2,0,0,0,0|1,0,0]=3 6626 B13R0.66 C=CCCC(=O)CC#CCCCCC 1458a_100000749702_100009816472 [0,2,0,0,0,0|1,0,0]=3 6627 B13R0.66 C=CCCC(=O)CCCCCCC#N 1458a_100000749702_100009813337 [0,2,0,0,0,0|1,0,0]=3 6628 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,0]=3 6629 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,0]=3 6630 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,2,0,0,0,0|1,0,0]=3 6631 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,2,0,0,0,0|1,0,0]=3 6632 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,2,0,0,0,0|1,0,0]=3 6633 B13R0.66 C=CCCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000754431 [0,2,0,0,0,0|2,0,0]=4 6634 B13R0.66 C=CCCC(=O)CCCOCCOC 1458a_100000749702_100011216529 [0,2,0,0,0,0|1,0,0]=3 6635 B13R0.66 C=CCCC(=O)CCOCCOCC 1458a_100000749702_100011211534 [0,2,0,0,0,0|1,0,0]=3 6636 B13R0.66 C=CCCC(=O)COCCOCCO 1458a_106645077154_100000754431 [0,2,0,0,0,0|2,0,0]=4 6637 B13R0.66 C=CCCC(=O)NCCCCCC#N 11a_100000061152_100000749702 [0,2,0,0,0,0|1,0,1]=4 6638 B13R0.66 C=CCCC(=O)NCCCCCC#N 1626a_100000061152_100000749702 [0,2,0,0,0,0|1,0,1]=4 6639 B13R0.66 C=CCCC(=O)NCCCCCC#N 240690a_100000061152_100000749702 [0,2,0,0,0,0|1,0,1]=4 6640 B13R0.66 C=CCCC(=O)NCCCCCC#N 527a_100000061152_100000749702 [0,2,0,0,0,0|1,0,1]=4 6641 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,2,0,0,0,0|1,0,0]=3 6642 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,2,0,0,0,0|1,0,0]=3 6643 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,2,0,0,0,0|1,0,0]=3 6644 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,2,0,0,0,0|1,0,0]=3 6645 B13R0.66 C=CCCC(=O)NCCCCCCO 240690a_100000686447_100000749702 [0,2,0,0,0,0|1,0,0]=3 6646 B13R0.66 C=CCCC(=O)NCCCCCCO 527a_100000686447_100000749702 [0,2,0,0,0,0|1,0,0]=3 6647 B13R0.66 C=CCCC(=O)NCCCCCOC 11a_100000747528_100000749702 [0,2,0,0,0,0|1,0,0]=3 6648 B13R0.66 C=CCCC(=O)NCCCCCOC 1626a_100000747528_100000749702 [0,2,0,0,0,0|1,0,0]=3 6649 B13R0.66 C=CCCC(=O)NCCCCCOC 240690a_100000747528_100000749702 [0,2,0,0,0,0|1,0,0]=3 6650 B13R0.66 C=CCCC(=O)NCCCCCOC 527a_100000747528_100000749702 [0,2,0,0,0,0|1,0,0]=3 6651 B13R0.66 C=CCCC(=O)NCCCOCCC 1626a_100011217757_100000749702 [0,2,0,0,0,0|1,0,0]=3 6652 B13R0.66 C=CCCC(=O)NCCCOCCC 240690a_100011217757_100000749702 [0,2,0,0,0,0|1,0,0]=3 6653 B13R0.66 C=CCCC(=O)NCCCOCCC 527a_100011217757_100000749702 [0,2,0,0,0,0|1,0,0]=3 6654 B13R0.66 C=CCCC(=O)NCCOCCOC 11a_100000745349_100000749702 [0,2,0,0,0,0|2,0,0]=4 6655 B13R0.66 C=CCCC(=O)NCCOCCOC 1626a_100000745349_100000749702 [0,2,0,0,0,0|2,0,0]=4 6656 B13R0.66 C=CCCC(=O)NCCOCCOC 240690a_100000745349_100000749702 [0,2,0,0,0,0|2,0,0]=4 6657 B13R0.66 C=CCCC(=O)NCCOCCOC 527a_100000745349_100000749702 [0,2,0,0,0,0|2,0,0]=4 6658 B13R0.66 C=CCCC(=O)NCCSCCCC 11a_100025743550_100000749702 [0,2,0,0,0,0|1,0,0]=3 6659 B13R0.66 C=CCCC(=O)NCCSCCCC 1626a_100025743550_100000749702 [0,2,0,0,0,0|1,0,0]=3 6660 B13R0.66 C=CCCC(=O)NCCSCCCC 240690a_100025743550_100000749702 [0,2,0,0,0,0|1,0,0]=3 6661 B13R0.66 C=CCCC(=O)NCCSCCCC 527a_100025743550_100000749702 [0,2,0,0,0,0|1,0,0]=3 6662 B13R0.66 C=CCCCCCCC(=O)CCC=C 1458a_100000749702_100011215473 [0,2,0,0,0,0|1,0,0]=3 6663 B13R0.66 C=CCCCCCCC(=O)CCC=C 1458a_100011809334_100000754431 [0,2,0,0,0,0|1,0,0]=3 6664 B13R0.66 C=CCCCCCCC(=O)NCC=C 1626a_100020586998_100011809334 [0,2,0,0,0,0|1,0,0]=3 6665 B13R0.66 C=CCCCCCCC(=O)NCC=C 240690a_100020586998_100011809334 [0,2,0,0,0,0|1,0,0]=3 6666 B13R0.66 C=CCCCCCCC(=O)NCC=C 527a_100020586998_100011809334 [0,2,0,0,0,0|1,0,0]=3 6667 B13R0.66 C=CCCCCNCC(=O)NCC=C 2230a_100000703577_100000183597 [0,2,0,0,0,0|1,0,1]=4 6668 B13R0.66 C=CCCCCNCC(=O)OCC=C 2230a_100000703577_100000033060 [0,2,0,0,0,0|0,0,1]=3 6669 B13R0.66 C=CCCCCNCC(=O)OCC=C 34a_100000703577_100000033060 [0,2,0,0,0,0|0,0,1]=3 6670 B13R0.66 C=CCCCCOCC(=O)NCC=C 7a_100000766645_100000183597 [0,2,0,0,0,0|1,0,1]=4 6671 B13R0.66 C=CCCCCOCC(=O)OCC=C 34a_100000766645_100000033060 [0,2,0,0,0,0|0,0,1]=3 6672 B13R0.66 C=CCCCCOCC(=O)OCC=C 7a_100000766645_100000033060 [0,2,0,0,0,0|0,0,1]=3 6673 B13R0.66 C=CCCCCSCC(=O)NCC=C 62a_100000183597_100011215482 [0,2,0,0,0,0|1,0,1]=4 6674 B13R0.66 C=CCCCCSCC(=O)NCC=C 62a_100011215482_100000183597 [0,2,0,0,0,0|1,0,1]=4 6675 B13R0.66 C=CCCCCSCC(=O)OCC=C 62a_100000033060_100011215482 [0,2,0,0,0,0|0,0,1]=3 6676 B13R0.66 C=CCCCCSCC(=O)OCC=C 62a_100011215482_100000033060 [0,2,0,0,0,0|0,0,1]=3 6677 B13R0.66 C=CCCCNCCC(=O)NCC=C 2230a_100000700776_100011222895 [0,2,0,0,0,0|1,0,1]=4 6678 B13R0.66 C=CCCCOCCC(=O)NCC=C 7a_100000758997_100011222895 [0,2,0,0,0,0|1,0,1]=4 6679 B13R0.66 C=CCCCSCCC(=O)NCC=C 62a_100011222895_100000757094 [0,2,0,0,0,0|1,0,1]=4 6680 B13R0.66 C=CCCCSCCC(=O)NCC=C 62a_100011713584_100011222895 [0,2,0,0,0,0|1,0,1]=4 6681 B13R0.66 C=CCNC(=O)C/C=C/CCCCC 1626a_100020586998_100020675968 [0,2,0,0,0,0|1,0,0]=3 6682 B13R0.66 C=CCNC(=O)C/C=C/CCCCC 240690a_100020586998_100020675968 [0,2,0,0,0,0|1,0,0]=3 6683 B13R0.66 C=CCNC(=O)C=CCCCCCC 1626a_100020586998_200015324643 [0,2,0,0,0,0|1,0,0]=3 6684 B13R0.66 C=CCNC(=O)C=CCCCCCC 240690a_100020586998_200015324643 [0,2,0,0,0,0|1,0,0]=3 6685 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,2,0,0,0,0|1,0,0]=3 6686 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,2,0,0,0,0|1,0,0]=3 6687 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,2,0,0,0,0|1,0,0]=3 6688 B13R0.66 C=CCNC(=O)CCCCCCCO 240690a_100020586998_100011219782 [0,2,0,0,0,0|1,0,0]=3 6689 B13R0.66 C=CCNC(=O)CCCCCN=[N+]=[N-] 240690a_100020586998_100009870042 [0,2,0,0,0,0|2,0,0]=4 6690 B13R0.66 C=CCNC(=O)CCCCCN=[N+]=[N-] 527a_100020586998_100009870042 [0,2,0,0,0,0|2,0,0]=4 6691 B13R0.66 C=CCNC(=O)CCNCCCCC 2230a_100000209983_100011222895 [0,2,0,0,0,0|1,0,0]=3 6692 B13R0.66 C=CCNC(=O)CCNCCCCO 2230a_100000750430_100011222895 [0,2,0,0,0,0|1,0,0]=3 6693 B13R0.66 C=CCNC(=O)CCNCCCSC 2230a_100000749238_100011222895 [0,2,0,0,0,0|1,0,0]=3 6694 B13R0.66 C=CCNC(=O)CCNCCOCC 2230a_102516460346_100011222895 [0,2,0,0,0,0|1,0,0]=3 6695 B13R0.66 C=CCNC(=O)CCNCCSCC 2230a_100000106463_100011222895 [0,2,0,0,0,0|1,0,0]=3 6696 B13R0.66 C=CCNC(=O)CCOCCCCC 7a_100000210253_100011222895 [0,2,0,0,0,0|1,0,0]=3 6697 B13R0.66 C=CCNC(=O)CCOCCCCCl 7a_100000210776_100011222895 [0,2,0,0,0,0|1,0,0]=3 6698 B13R0.66 C=CCNC(=O)CCOCCCCF 7a_100011995726_100011222895 [0,2,0,0,0,0|1,0,0]=3 6699 B13R0.66 C=CCNC(=O)CCOCCCSC 7a_100000690336_100011222895 [0,2,0,0,0,0|1,0,0]=3 6700 B13R0.66 C=CCNC(=O)CCOCCOCC 7a_100000210136_100011222895 [0,2,0,0,0,0|1,0,0]=3 6701 B13R0.66 C=CCNC(=O)CCOCCSCC 7a_100000212035_100011222895 [0,2,0,0,0,0|1,0,0]=3 6702 B13R0.66 C=CCNC(=O)CCSC/C=C\CC 62a_100011222895_100103147603 [0,2,0,0,0,0|1,0,1]=4 6703 B13R0.66 C=CCNC(=O)CCSC/C=C\CC 62a_100103147603_100011222895 [0,2,0,0,0,0|1,0,1]=4 6704 B13R0.66 C=CCNC(=O)CCSCC#CCC 62a_100009813939_100011222895 [0,2,0,0,0,0|1,0,1]=4 6705 B13R0.66 C=CCNC(=O)CCSCC#CCC 62a_100011222895_100009813939 [0,2,0,0,0,0|1,0,1]=4 6706 B13R0.66 C=CCNC(=O)CCSCCCC#N 62a_100000687738_100011222895 [0,2,0,0,0,0|1,0,1]=4 6707 B13R0.66 C=CCNC(=O)CCSCCCC#N 62a_100011222895_100000687738 [0,2,0,0,0,0|1,0,1]=4 6708 B13R0.66 C=CCNC(=O)CCSCCCC=O 62a_100011222895_200011292268 [0,2,0,0,0,0|1,0,1]=4 6709 B13R0.66 C=CCNC(=O)CCSCCCC=O 62a_200011292268_100011222895 [0,2,0,0,0,0|1,0,1]=4 6710 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100000210326_100011222895 [0,2,0,0,0,0|1,0,0]=3 6711 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100011222895_100000210326 [0,2,0,0,0,0|1,0,0]=3 6712 B13R0.66 C=CCNC(=O)CCSCCCCF 62a_100000729493_100011222895 [0,2,0,0,0,0|1,0,0]=3 6713 B13R0.66 C=CCNC(=O)CCSCCCCF 62a_100011222895_100000729493 [0,2,0,0,0,0|1,0,0]=3 6714 B13R0.66 C=CCNC(=O)CCSCCCCO 62a_100000210776_100011222895 [0,2,0,0,0,0|1,0,0]=3 6715 B13R0.66 C=CCNC(=O)CCSCCCCO 62a_100011222895_100000210776 [0,2,0,0,0,0|1,0,0]=3 6716 B13R0.66 C=CCNC(=O)CCSCCCOC 62a_100000709357_100011222895 [0,2,0,0,0,0|1,0,0]=3 6717 B13R0.66 C=CCNC(=O)CCSCCCOC 62a_100011222895_100000709357 [0,2,0,0,0,0|1,0,0]=3 6718 B13R0.66 C=CCNC(=O)CCSCCOCC 62a_100000210147_100011222895 [0,2,0,0,0,0|1,0,0]=3 6719 B13R0.66 C=CCNC(=O)CCSCCOCC 62a_100011222895_100011215890 [0,2,0,0,0,0|1,0,0]=3 6720 B13R0.66 C=CCNC(=O)CCSCCSCC 62a_100000757381_100011222895 [0,2,0,0,0,0|1,0,0]=3 6721 B13R0.66 C=CCNC(=O)CCSCCSCC 62a_100011222895_100000757381 [0,2,0,0,0,0|1,0,0]=3 6722 B13R0.66 C=CCNC(=O)CNCCCCCC 2230a_100000210581_100000183597 [0,2,0,0,0,0|1,0,0]=3 6723 B13R0.66 C=CCNC(=O)CNCCCCCO 2230a_100000762737_100000183597 [0,2,0,0,0,0|1,0,0]=3 6724 B13R0.66 C=CCNC(=O)CNCCCOCC 2230a_100000210961_100000183597 [0,2,0,0,0,0|1,0,0]=3 6725 B13R0.66 C=CCNC(=O)CNCCOCCC 2230a_100161115042_100000183597 [0,2,0,0,0,0|1,0,0]=3 6726 B13R0.66 C=CCNC(=O)CNCCOCCO 2230a_100000211614_100000183597 [0,2,0,0,0,0|2,0,0]=4 6727 B13R0.66 C=CCNC(=O)CNCCSCCC 2230a_100020603323_100000183597 [0,2,0,0,0,0|1,0,0]=3 6728 B13R0.66 C=CCNC(=O)CNCCSCCO 2230a_100011219999_100000183597 [0,2,0,0,0,0|2,0,0]=4 6729 B13R0.66 C=CCNC(=O)COC/C=C/CCC 7a_100016278788_100000183597 [0,2,0,0,0,0|1,0,1]=4 6730 B13R0.66 C=CCNC(=O)COCC#CCCC 7a_100000034806_100000183597 [0,2,0,0,0,0|1,0,1]=4 6731 B13R0.66 C=CCNC(=O)COCC/C=C\CC 7a_100016288707_100000183597 [0,2,0,0,0,0|1,0,1]=4 6732 B13R0.66 C=CCNC(=O)COCCC#CCC 7a_100000036655_100000183597 [0,2,0,0,0,0|1,0,1]=4 6733 B13R0.66 C=CCNC(=O)COCCCCCBr 7a_100000746331_100000183597 [0,2,0,0,0,0|1,0,0]=3 6734 B13R0.66 C=CCNC(=O)COCCCCCC 7a_100000210259_100000183597 [0,2,0,0,0,0|1,0,0]=3 6735 B13R0.66 C=CCNC(=O)COCCCCCCl 7a_100000746330_100000183597 [0,2,0,0,0,0|1,0,0]=3 6736 B13R0.66 C=CCNC(=O)COCCCCCI 7a_200012148887_100000183597 [0,2,0,0,0,0|1,0,0]=3 6737 B13R0.66 C=CCNC(=O)COCCCCSC 7a_100011217163_100000183597 [0,2,0,0,0,0|1,0,0]=3 6738 B13R0.66 C=CCNC(=O)COCCCOCC 7a_100000757476_100000183597 [0,2,0,0,0,0|1,0,0]=3 6739 B13R0.66 C=CCNC(=O)COCCCSCC 7a_100011216438_100000183597 [0,2,0,0,0,0|1,0,0]=3 6740 B13R0.66 C=CCNC(=O)COCCOCCBr 7a_100000692535_100000183597 [0,2,0,0,0,0|2,0,0]=4 6741 B13R0.66 C=CCNC(=O)COCCOCCC 7a_100000752267_100000183597 [0,2,0,0,0,0|1,0,0]=3 6742 B13R0.66 C=CCNC(=O)COCCOCCCl 7a_100011215305_100000183597 [0,2,0,0,0,0|2,0,0]=4 6743 B13R0.66 C=CCNC(=O)COCCOCCF 7a_200015357709_100000183597 [0,2,0,0,0,0|2,0,0]=4 6744 B13R0.66 C=CCNC(=O)COCCOCCI 7a_100012149058_100000183597 [0,2,0,0,0,0|2,0,0]=4 6745 B13R0.66 C=CCNC(=O)COCCOCCO 1626a_100020586998_106645077154 [0,2,0,0,0,0|2,0,0]=4 6746 B13R0.66 C=CCNC(=O)COCCOCCO 240690a_100020586998_106645077154 [0,2,0,0,0,0|2,0,0]=4 6747 B13R0.66 C=CCNC(=O)COCCSCCC 7a_200000230433_100000183597 [0,2,0,0,0,0|1,0,0]=3 6748 B13R0.66 C=CCNC(=O)CSCC/C=C\CC 62a_100000183597_100015370543 [0,2,0,0,0,0|1,0,1]=4 6749 B13R0.66 C=CCNC(=O)CSCC/C=C\CC 62a_100015370543_100000183597 [0,2,0,0,0,0|1,0,1]=4 6750 B13R0.66 C=CCNC(=O)CSCCCCC#N 62a_100000183597_100000211819 [0,2,0,0,0,0|1,0,1]=4 6751 B13R0.66 C=CCNC(=O)CSCCCCC#N 62a_100011219923_100000183597 [0,2,0,0,0,0|1,0,1]=4 6752 B13R0.66 C=CCNC(=O)CSCCCCC=O 62a_100000139335_100000183597 [0,2,0,0,0,0|1,0,1]=4 6753 B13R0.66 C=CCNC(=O)CSCCCCC=O 62a_100000183597_100000139335 [0,2,0,0,0,0|1,0,1]=4 6754 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000183597_100000210757 [0,2,0,0,0,0|1,0,0]=3 6755 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000210314_100000183597 [0,2,0,0,0,0|1,0,0]=3 6756 B13R0.66 C=CCNC(=O)CSCCCCCF 62a_100000183597_100000729378 [0,2,0,0,0,0|1,0,0]=3 6757 B13R0.66 C=CCNC(=O)CSCCCCCF 62a_100000729378_100000183597 [0,2,0,0,0,0|1,0,0]=3 6758 B13R0.66 C=CCNC(=O)CSCCCCCO 62a_100000183597_100000746330 [0,2,0,0,0,0|1,0,0]=3 6759 B13R0.66 C=CCNC(=O)CSCCCCCO 62a_100000746330_100000183597 [0,2,0,0,0,0|1,0,0]=3 6760 B13R0.66 C=CCNC(=O)CSCCCCOC 62a_100000183597_100000730899 [0,2,0,0,0,0|1,0,0]=3 6761 B13R0.66 C=CCNC(=O)CSCCCCOC 62a_100000730899_100000183597 [0,2,0,0,0,0|1,0,0]=3 6762 B13R0.66 C=CCNC(=O)CSCCCOCC 62a_100000183597_100012232248 [0,2,0,0,0,0|1,0,0]=3 6763 B13R0.66 C=CCNC(=O)CSCCCOCC 62a_100012232248_100000183597 [0,2,0,0,0,0|1,0,0]=3 6764 B13R0.66 C=CCNC(=O)CSCCOCCC 62a_100000183597_100011215938 [0,2,0,0,0,0|1,0,0]=3 6765 B13R0.66 C=CCNC(=O)CSCCOCCC 62a_100011215938_100000183597 [0,2,0,0,0,0|1,0,0]=3 6766 B13R0.66 C=CCNC(=O)CSCCOCCO 62a_100000183597_100011215305 [0,2,0,0,0,0|2,0,0]=4 6767 B13R0.66 C=CCNC(=O)CSCCOCCO 62a_100011215305_100000183597 [0,2,0,0,0,0|2,0,0]=4 6768 B13R0.66 C=CCNC(=O)CSCOCCCC 62a_100000183597_100011995733 [0,2,0,0,0,0|1,0,0]=3 6769 B13R0.66 C=CCNC(=O)CSCOCCCC 62a_100011995733_100000183597 [0,2,0,0,0,0|1,0,0]=3 6770 B13R0.66 C=CCNC(=O)CSCOCCOC 62a_100000183597_100000231047 [0,2,0,0,0,0|2,0,0]=4 6771 B13R0.66 C=CCNC(=O)CSCOCCOC 62a_100000231047_100000183597 [0,2,0,0,0,0|2,0,0]=4 6772 B13R0.66 C=CCNC(=O)NCCCCCC#N 2708a_100000061152_100020586998 [0,2,0,0,0,0|1,0,1]=4 6773 B13R0.66 C=CCNC(=O)NCCCCCC#N 273464a_100000061152_100020586998 [0,2,0,0,0,0|1,0,1]=4 6774 B13R0.66 C=CCNC(=O)NCCCCCC#N 273464a_100020586998_100000061152 [0,2,0,0,0,0|1,0,1]=4 6775 B13R0.66 C=CCNC(=O)NCCCCCC#N 512a_100000061152_100020586998 [0,2,0,0,0,0|1,0,1]=4 6776 B13R0.66 C=CCNC(=O)NCCCCCC#N 512a_100020586998_100000061152 [0,2,0,0,0,0|1,0,1]=4 6777 B13R0.66 C=CCNC(=O)NCCCCCCC 2708a_100000229938_100020586998 [0,2,0,0,0,0|1,0,0]=3 6778 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100000229938_100020586998 [0,2,0,0,0,0|1,0,0]=3 6779 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100020586998_100000229938 [0,2,0,0,0,0|1,0,0]=3 6780 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100000229938_100020586998 [0,2,0,0,0,0|1,0,0]=3 6781 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100020586998_100000229938 [0,2,0,0,0,0|1,0,0]=3 6782 B13R0.66 C=CCNC(=O)NCCCCCCO 273464a_100000686447_100020586998 [0,2,0,0,0,0|1,0,0]=3 6783 B13R0.66 C=CCNC(=O)NCCCCCCO 273464a_100020586998_100000686447 [0,2,0,0,0,0|1,0,0]=3 6784 B13R0.66 C=CCNC(=O)NCCCCCCO 512a_100000686447_100020586998 [0,2,0,0,0,0|1,0,0]=3 6785 B13R0.66 C=CCNC(=O)NCCCCCCO 512a_100020586998_100000686447 [0,2,0,0,0,0|1,0,0]=3 6786 B13R0.66 C=CCNC(=O)NCCCCCOC 2708a_100000747528_100020586998 [0,2,0,0,0,0|1,0,0]=3 6787 B13R0.66 C=CCNC(=O)NCCCCCOC 273464a_100000747528_100020586998 [0,2,0,0,0,0|1,0,0]=3 6788 B13R0.66 C=CCNC(=O)NCCCCCOC 273464a_100020586998_100000747528 [0,2,0,0,0,0|1,0,0]=3 6789 B13R0.66 C=CCNC(=O)NCCCCCOC 512a_100000747528_100020586998 [0,2,0,0,0,0|1,0,0]=3 6790 B13R0.66 C=CCNC(=O)NCCCCCOC 512a_100020586998_100000747528 [0,2,0,0,0,0|1,0,0]=3 6791 B13R0.66 C=CCNC(=O)NCCCOCCC 2708a_100011217757_100020586998 [0,2,0,0,0,0|1,0,0]=3 6792 B13R0.66 C=CCNC(=O)NCCCOCCC 273464a_100011217757_100020586998 [0,2,0,0,0,0|1,0,0]=3 6793 B13R0.66 C=CCNC(=O)NCCCOCCC 273464a_100020586998_100011217757 [0,2,0,0,0,0|1,0,0]=3 6794 B13R0.66 C=CCNC(=O)NCCCOCCC 512a_100011217757_100020586998 [0,2,0,0,0,0|1,0,0]=3 6795 B13R0.66 C=CCNC(=O)NCCCOCCC 512a_100020586998_100011217757 [0,2,0,0,0,0|1,0,0]=3 6796 B13R0.66 C=CCNC(=O)NCCOCCOC 2708a_100000745349_100020586998 [0,2,0,0,0,0|2,0,0]=4 6797 B13R0.66 C=CCNC(=O)NCCOCCOC 273464a_100000745349_100020586998 [0,2,0,0,0,0|2,0,0]=4 6798 B13R0.66 C=CCNC(=O)NCCOCCOC 273464a_100020586998_100000745349 [0,2,0,0,0,0|2,0,0]=4 6799 B13R0.66 C=CCNC(=O)NCCOCCOC 512a_100000745349_100020586998 [0,2,0,0,0,0|2,0,0]=4 6800 B13R0.66 C=CCNC(=O)NCCSCCCC 2708a_100025743550_100020586998 [0,2,0,0,0,0|1,0,0]=3 6801 B13R0.66 C=CCNC(=O)NCCSCCCC 273464a_100020586998_100025743550 [0,2,0,0,0,0|1,0,0]=3 6802 B13R0.66 C=CCNC(=O)NCCSCCCC 273464a_100025743550_100020586998 [0,2,0,0,0,0|1,0,0]=3 6803 B13R0.66 C=CCNC(=O)NCCSCCCC 512a_100020586998_100025743550 [0,2,0,0,0,0|1,0,0]=3 6804 B13R0.66 C=CCNC(=O)NCCSCCCC 512a_100025743550_100020586998 [0,2,0,0,0,0|1,0,0]=3 6805 B13R0.66 C=CCOC(=O)CNCCCCCC 2230a_100000210581_100000033060 [0,2,0,0,0,0|0,0,0]=2 6806 B13R0.66 C=CCOC(=O)CNCCCCCO 2230a_100000762737_100000033060 [0,2,0,0,0,0|0,0,0]=2 6807 B13R0.66 C=CCOC(=O)CNCCCCCO 34a_100000762737_100000033060 [0,2,0,0,0,0|0,0,0]=2 6808 B13R0.66 C=CCOC(=O)CNCCCN=[N+]=[N-] 2230a_100000744732_100000033060 [0,2,0,0,0,0|2,0,0]=4 6809 B13R0.66 C=CCOC(=O)CNCCCOC=C 2230a_100000210767_100000033060 [0,2,0,0,0,0|0,0,2]=4 6810 B13R0.66 C=CCOC(=O)CNCCCOC=C 34a_100000210767_100000033060 [0,2,0,0,0,0|0,0,2]=4 6811 B13R0.66 C=CCOC(=O)CNCCCOCC 2230a_100000210961_100000033060 [0,2,0,0,0,0|0,0,0]=2 6812 B13R0.66 C=CCOC(=O)CNCCCOCC 34a_100000210961_100000033060 [0,2,0,0,0,0|0,0,0]=2 6813 B13R0.66 C=CCOC(=O)CNCCOCCC 2230a_100161115042_100000033060 [0,2,0,0,0,0|0,0,0]=2 6814 B13R0.66 C=CCOC(=O)CNCCOCCC 34a_100161115042_100000033060 [0,2,0,0,0,0|0,0,0]=2 6815 B13R0.66 C=CCOC(=O)CNCCOCCO 2230a_100000211614_100000033060 [0,2,0,0,0,0|1,0,0]=3 6816 B13R0.66 C=CCOC(=O)CNCCOCCO 34a_100000211614_100000033060 [0,2,0,0,0,0|1,0,0]=3 6817 B13R0.66 C=CCOC(=O)CNCCSCCC 2230a_100020603323_100000033060 [0,2,0,0,0,0|0,0,0]=2 6818 B13R0.66 C=CCOC(=O)CNCCSCCO 2230a_100011219999_100000033060 [0,2,0,0,0,0|1,0,0]=3 6819 B13R0.66 C=CCOC(=O)COC/C=C/CCC 34a_100016278788_100000033060 [0,2,0,0,0,0|0,0,1]=3 6820 B13R0.66 C=CCOC(=O)COC/C=C/CCC 7a_100016278788_100000033060 [0,2,0,0,0,0|0,0,1]=3 6821 B13R0.66 C=CCOC(=O)COCC#CCCC 34a_100000034806_100000033060 [0,2,0,0,0,0|0,0,1]=3 6822 B13R0.66 C=CCOC(=O)COCC#CCCC 7a_100000034806_100000033060 [0,2,0,0,0,0|0,0,1]=3 6823 B13R0.66 C=CCOC(=O)COCC/C=C\CC 34a_100016288707_100000033060 [0,2,0,0,0,0|0,0,1]=3 6824 B13R0.66 C=CCOC(=O)COCC/C=C\CC 7a_100016288707_100000033060 [0,2,0,0,0,0|0,0,1]=3 6825 B13R0.66 C=CCOC(=O)COCCC#CCC 34a_100000036655_100000033060 [0,2,0,0,0,0|0,0,1]=3 6826 B13R0.66 C=CCOC(=O)COCCC#CCC 7a_100000036655_100000033060 [0,2,0,0,0,0|0,0,1]=3 6827 B13R0.66 C=CCOC(=O)COCCC=C=CC 34a_100011020354_100000033060 [0,2,0,0,0,0|0,0,2]=4 6828 B13R0.66 C=CCOC(=O)COCCCC=CC 34a_100020645299_100000033060 [0,2,0,0,0,0|0,0,1]=3 6829 B13R0.66 C=CCOC(=O)COCCCCCBr 34a_100000746331_100000033060 [0,2,0,0,0,0|0,0,0]=2 6830 B13R0.66 C=CCOC(=O)COCCCCCBr 7a_100000746331_100000033060 [0,2,0,0,0,0|0,0,0]=2 6831 B13R0.66 C=CCOC(=O)COCCCCCC 34a_100000210259_100000033060 [0,2,0,0,0,0|0,0,0]=2 6832 B13R0.66 C=CCOC(=O)COCCCCCC 7a_100000210259_100000033060 [0,2,0,0,0,0|0,0,0]=2 6833 B13R0.66 C=CCOC(=O)COCCCCCCl 34a_100000746330_100000033060 [0,2,0,0,0,0|0,0,0]=2 6834 B13R0.66 C=CCOC(=O)COCCCCCCl 7a_100000746330_100000033060 [0,2,0,0,0,0|0,0,0]=2 6835 B13R0.66 C=CCOC(=O)COCCCCCI 34a_200012148887_100000033060 [0,2,0,0,0,0|0,0,0]=2 6836 B13R0.66 C=CCOC(=O)COCCCCCI 7a_200012148887_100000033060 [0,2,0,0,0,0|0,0,0]=2 6837 B13R0.66 C=CCOC(=O)COCCCCCN 34a_100000762737_100000033060 [0,2,0,0,0,0|0,0,0]=2 6838 B13R0.66 C=CCOC(=O)COCCCCOC 34a_100000740925_100000033060 [0,2,0,0,0,0|0,0,0]=2 6839 B13R0.66 C=CCOC(=O)COCCCCSC 34a_100011217163_100000033060 [0,2,0,0,0,0|0,0,0]=2 6840 B13R0.66 C=CCOC(=O)COCCCCSC 7a_100011217163_100000033060 [0,2,0,0,0,0|0,0,0]=2 6841 B13R0.66 C=CCOC(=O)COCCCOCC 34a_100000757476_100000033060 [0,2,0,0,0,0|0,0,0]=2 6842 B13R0.66 C=CCOC(=O)COCCCOCC 7a_100000757476_100000033060 [0,2,0,0,0,0|0,0,0]=2 6843 B13R0.66 C=CCOC(=O)COCCCSCC 34a_100011216438_100000033060 [0,2,0,0,0,0|0,0,0]=2 6844 B13R0.66 C=CCOC(=O)COCCCSCC 7a_100011216438_100000033060 [0,2,0,0,0,0|0,0,0]=2 6845 B13R0.66 C=CCOC(=O)COCCOCCBr 34a_100000692535_100000033060 [0,2,0,0,0,0|1,0,0]=3 6846 B13R0.66 C=CCOC(=O)COCCOCCBr 7a_100000692535_100000033060 [0,2,0,0,0,0|1,0,0]=3 6847 B13R0.66 C=CCOC(=O)COCCOCCC 34a_100000752267_100000033060 [0,2,0,0,0,0|0,0,0]=2 6848 B13R0.66 C=CCOC(=O)COCCOCCC 7a_100000752267_100000033060 [0,2,0,0,0,0|0,0,0]=2 6849 B13R0.66 C=CCOC(=O)COCCOCCCl 34a_100011215305_100000033060 [0,2,0,0,0,0|1,0,0]=3 6850 B13R0.66 C=CCOC(=O)COCCOCCCl 7a_100011215305_100000033060 [0,2,0,0,0,0|1,0,0]=3 6851 B13R0.66 C=CCOC(=O)COCCOCCF 34a_200015357709_100000033060 [0,2,0,0,0,0|1,0,0]=3 6852 B13R0.66 C=CCOC(=O)COCCOCCF 7a_200015357709_100000033060 [0,2,0,0,0,0|1,0,0]=3 6853 B13R0.66 C=CCOC(=O)COCCOCCI 34a_100012149058_100000033060 [0,2,0,0,0,0|1,0,0]=3 6854 B13R0.66 C=CCOC(=O)COCCOCCI 7a_100012149058_100000033060 [0,2,0,0,0,0|1,0,0]=3 6855 B13R0.66 C=CCOC(=O)COCCOCCN 34a_100000211614_100000033060 [0,2,0,0,0,0|1,0,0]=3 6856 B13R0.66 C=CCOC(=O)COCCSCCC 34a_200000230433_100000033060 [0,2,0,0,0,0|0,0,0]=2 6857 B13R0.66 C=CCOC(=O)COCCSCCC 7a_200000230433_100000033060 [0,2,0,0,0,0|0,0,0]=2 6858 B13R0.66 C=CCOC(=O)CSCC/C=C\CC 62a_100000033060_100015370543 [0,2,0,0,0,0|0,0,1]=3 6859 B13R0.66 C=CCOC(=O)CSCC/C=C\CC 62a_100015370543_100000033060 [0,2,0,0,0,0|0,0,1]=3 6860 B13R0.66 C=CCOC(=O)CSCCCCC#N 62a_100000033060_100000211819 [0,2,0,0,0,0|0,0,1]=3 6861 B13R0.66 C=CCOC(=O)CSCCCCC#N 62a_100011219923_100000033060 [0,2,0,0,0,0|0,0,1]=3 6862 B13R0.66 C=CCOC(=O)CSCCCCC=O 62a_100000033060_100000139335 [0,2,0,0,0,0|0,0,1]=3 6863 B13R0.66 C=CCOC(=O)CSCCCCC=O 62a_100000139335_100000033060 [0,2,0,0,0,0|0,0,1]=3 6864 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000033060_100000210757 [0,2,0,0,0,0|0,0,0]=2 6865 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000210314_100000033060 [0,2,0,0,0,0|0,0,0]=2 6866 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000033060_100000729378 [0,2,0,0,0,0|0,0,0]=2 6867 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000729378_100000033060 [0,2,0,0,0,0|0,0,0]=2 6868 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000033060_100000746330 [0,2,0,0,0,0|0,0,0]=2 6869 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000746330_100000033060 [0,2,0,0,0,0|0,0,0]=2 6870 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000033060_100000730899 [0,2,0,0,0,0|0,0,0]=2 6871 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000730899_100000033060 [0,2,0,0,0,0|0,0,0]=2 6872 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100000033060_100012232248 [0,2,0,0,0,0|0,0,0]=2 6873 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100012232248_100000033060 [0,2,0,0,0,0|0,0,0]=2 6874 B13R0.66 C=CCOC(=O)CSCCOCC#N 62a_100000033060_200000047693 [0,2,0,0,0,0|1,0,1]=4 6875 B13R0.66 C=CCOC(=O)CSCCOCC#N 62a_200000047693_100000033060 [0,2,0,0,0,0|1,0,1]=4 6876 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100000033060_100011215938 [0,2,0,0,0,0|0,0,0]=2 6877 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100011215938_100000033060 [0,2,0,0,0,0|0,0,0]=2 6878 B13R0.66 C=CCOC(=O)CSCCOCCO 62a_100000033060_100011215305 [0,2,0,0,0,0|1,0,0]=3 6879 B13R0.66 C=CCOC(=O)CSCCOCCO 62a_100011215305_100000033060 [0,2,0,0,0,0|1,0,0]=3 6880 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100000033060_100011995733 [0,2,0,0,0,0|0,0,0]=2 6881 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100011995733_100000033060 [0,2,0,0,0,0|0,0,0]=2 6882 B13R0.66 C=CCOC(=O)CSCOCCOC 62a_100000033060_100000231047 [0,2,0,0,0,0|1,0,0]=3 6883 B13R0.66 C=CCOC(=O)CSCOCCOC 62a_100000231047_100000033060 [0,2,0,0,0,0|1,0,0]=3 6884 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 6885 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 6886 B13R0.66 C=CCOCCOCC(=O)OCC=C 34a_100000037705_100000033060 [0,2,0,0,0,0|0,0,2]=4 6887 B13R0.66 C=CCOCCOCC(=O)OCC=C 7a_100000037705_100000033060 [0,2,0,0,0,0|0,0,2]=4 6888 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,2,0,0,0,0|0,0,2]=4 6889 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,2,0,0,0,0|0,0,2]=4 6890 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,2,0,0,0,0|0,0,2]=4 6891 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,2,0,0,0,0|0,0,2]=4 6892 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,2,0,0,0,0|0,0,2]=4 6893 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,2,0,0,0,0|0,0,2]=4 6894 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,2,0,0,0,0|0,0,2]=4 6895 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,2,0,0,0,0|0,0,2]=4 6896 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [0,2,0,0,0,0|0,0,2]=4 6897 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [0,2,0,0,0,0|0,0,2]=4 6898 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [0,2,0,0,0,0|0,0,2]=4 6899 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [0,2,0,0,0,0|0,0,2]=4 6900 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [0,2,0,0,0,0|0,0,2]=4 6901 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [0,2,0,0,0,0|0,0,2]=4 6902 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [0,2,0,0,0,0|0,0,2]=4 6903 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [0,2,0,0,0,0|0,0,2]=4 6904 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [0,2,0,0,0,0|0,0,2]=4 6905 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [0,2,0,0,0,0|0,0,2]=4 6906 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [0,2,0,0,0,0|0,0,2]=4 6907 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [0,2,0,0,0,0|0,0,2]=4 6908 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [0,2,0,0,0,0|0,0,2]=4 6909 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [0,2,0,0,0,0|0,0,2]=4 6910 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [0,2,0,0,0,0|0,0,2]=4 6911 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [0,2,0,0,0,0|0,0,2]=4 6912 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [0,2,0,0,0,0|0,0,2]=4 6913 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,2,0,0,0,0|0,0,2]=4 6914 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,2,0,0,0,0|0,0,2]=4 6915 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,2,0,0,0,0|0,0,2]=4 6916 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,2,0,0,0,0|0,0,2]=4 6917 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,2,0,0,0,0|0,0,2]=4 6918 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,2,0,0,0,0|0,0,2]=4 6919 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [0,2,0,0,0,0|0,0,2]=4 6920 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [0,2,0,0,0,0|0,0,2]=4 6921 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [0,2,0,0,0,0|0,0,2]=4 6922 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [0,2,0,0,0,0|0,0,2]=4 6923 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [0,2,0,0,0,0|0,0,2]=4 6924 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [0,2,0,0,0,0|0,0,2]=4 6925 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [0,2,0,0,0,0|0,0,2]=4 6926 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [0,2,0,0,0,0|0,0,2]=4 6927 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [0,2,0,0,0,0|0,0,2]=4 6928 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [0,2,0,0,0,0|0,0,2]=4 6929 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,2,0,0,0,0|0,0,2]=4 6930 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,2,0,0,0,0|0,0,2]=4 6931 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [0,2,0,0,0,0|0,0,2]=4 6932 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [0,2,0,0,0,0|0,0,2]=4 6933 B13R0.119 C=CC=CC(=O)CCCCCC(C)C 1458a_100016291481_100000210682 [0,2,0,0,0,0|1,0,1]=4 6934 B13R0.119 C=CCCC(=O)CCCCCB(O)O 1458a_100000749702_200009817188 [0,2,0,0,0,0|2,0,0]=4 6935 B13R0.119 C=CCCC(=O)CCCCCC(=O)N 1458a_100000749702_100009817443 [0,2,0,0,0,0|1,0,1]=4 6936 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000749702_100000210682 [0,2,0,0,0,0|1,0,0]=3 6937 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000754431 [0,2,0,0,0,0|1,0,0]=3 6938 B13R0.119 C=CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000754431 [0,2,0,0,0,0|2,0,0]=4 6939 B13R0.119 C=CCCC(=O)CCCCOC(=O)C 1458a_100000749702_100000033659 [0,2,0,0,0,0|1,0,1]=4 6940 B13R0.119 C=CCCC(=O)CCCCSC(=O)C 1458a_100000749702_200010402107 [0,2,0,0,0,0|1,0,1]=4 6941 B13R0.119 C=CCCC(=O)NCCCCN(C)C 240690a_100025707445_100000749702 [0,2,0,0,0,0|2,0,0]=4 6942 B13R0.119 C=CCCC(=O)NCCCOC(C)C 11a_100000737246_100000749702 [0,2,0,0,0,0|2,0,0]=4 6943 B13R0.119 C=CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000749702 [0,2,0,0,0,0|2,0,0]=4 6944 B13R0.119 C=CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000749702 [0,2,0,0,0,0|2,0,0]=4 6945 B13R0.119 C=CCCC(=O)NCCCOC(C)C 527a_100000737246_100000749702 [0,2,0,0,0,0|2,0,0]=4 6946 B13R0.119 C=CCNC(=O)CCCCCC(C)C 1626a_100020586998_100000766313 [0,2,0,0,0,0|1,0,0]=3 6947 B13R0.119 C=CCNC(=O)CCCCCC(C)C 240690a_100020586998_100000766313 [0,2,0,0,0,0|1,0,0]=3 6948 B13R0.119 C=CCNC(=O)CCCCCC(C)C 527a_100020586998_100000766313 [0,2,0,0,0,0|1,0,0]=3 6949 B13R0.119 C=CCNC(=O)CCCCC[N+](=O)[O-] 1626a_100020586998_100000043470 [0,2,0,0,0,0|2,0,0]=4 6950 B13R0.119 C=CCNC(=O)CCCCC[N+](=O)[O-] 240690a_100020586998_100000043470 [0,2,0,0,0,0|2,0,0]=4 6951 B13R0.119 C=CCNC(=O)CCCCC[N+](=O)[O-] 527a_100020586998_100000043470 [0,2,0,0,0,0|2,0,0]=4 6952 B13R0.119 C=CCNC(=O)CCNCCC(C)O 2230a_200000755665_100011222895 [0,2,0,0,0,0|1,0,0]=3 6953 B13R0.119 C=CCNC(=O)CCOCCC(=O)C 7a_100000759926_100011222895 [0,2,0,0,0,0|1,0,1]=4 6954 B13R0.119 C=CCNC(=O)CCOCCC(C)C 7a_100000210254_100011222895 [0,2,0,0,0,0|1,0,0]=3 6955 B13R0.119 C=CCNC(=O)CCSCCC(=C)C 62a_100000730704_100011222895 [0,2,0,0,0,0|1,0,1]=4 6956 B13R0.119 C=CCNC(=O)CCSCCC(=C)C 62a_100011222895_100000730704 [0,2,0,0,0,0|1,0,1]=4 6957 B13R0.119 C=CCNC(=O)CCSCCC(=O)C 62a_100000053229_100011222895 [0,2,0,0,0,0|1,0,1]=4 6958 B13R0.119 C=CCNC(=O)CCSCCC(=O)C 62a_100011222895_100000053229 [0,2,0,0,0,0|1,0,1]=4 6959 B13R0.119 C=CCNC(=O)CCSCCC(C)C 62a_100000210312_100011222895 [0,2,0,0,0,0|1,0,0]=3 6960 B13R0.119 C=CCNC(=O)CCSCCC(C)C 62a_100011222895_100000210312 [0,2,0,0,0,0|1,0,0]=3 6961 B13R0.119 C=CCNC(=O)CCSCCC(C)O 62a_100011222895_100012276601 [0,2,0,0,0,0|1,0,0]=3 6962 B13R0.119 C=CCNC(=O)CCSCCC(C)O 62a_100012276601_100011222895 [0,2,0,0,0,0|1,0,0]=3 6963 B13R0.119 C=CCNC(=O)CCSCCN(C)C 62a_100011222895_100000755713 [0,2,0,0,0,0|2,0,0]=4 6964 B13R0.119 C=CCNC(=O)CCSCOC(C)C 62a_100000709892_100011222895 [0,2,0,0,0,0|2,0,0]=4 6965 B13R0.119 C=CCNC(=O)CCSCOC(C)C 62a_100011222895_100000709892 [0,2,0,0,0,0|2,0,0]=4 6966 B13R0.119 C=CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183597 [0,2,0,0,0,0|1,0,0]=3 6967 B13R0.119 C=CCNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183597 [0,2,0,0,0,0|2,0,0]=4 6968 B13R0.119 C=CCNC(=O)CNCCOC(C)C 2230a_100000701111_100000183597 [0,2,0,0,0,0|2,0,0]=4 6969 B13R0.119 C=CCNC(=O)CNCCSC(C)C 2230a_100000731138_100000183597 [0,2,0,0,0,0|2,0,0]=4 6970 B13R0.119 C=CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183597 [0,2,0,0,0,0|1,0,1]=4 6971 B13R0.119 C=CCNC(=O)COCCCC(C)C 7a_100000210774_100000183597 [0,2,0,0,0,0|1,0,0]=3 6972 B13R0.119 C=CCNC(=O)COCCOC(C)C 7a_100000211219_100000183597 [0,2,0,0,0,0|2,0,0]=4 6973 B13R0.119 C=CCNC(=O)COCCSC(C)C 7a_200011212901_100000183597 [0,2,0,0,0,0|2,0,0]=4 6974 B13R0.119 C=CCNC(=O)CSCCCC(=O)C 62a_100000183597_100011215641 [0,2,0,0,0,0|1,0,1]=4 6975 B13R0.119 C=CCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183597 [0,2,0,0,0,0|1,0,1]=4 6976 B13R0.119 C=CCNC(=O)CSCCCC(C)C 62a_100000183597_100011214892 [0,2,0,0,0,0|1,0,0]=3 6977 B13R0.119 C=CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183597 [0,2,0,0,0,0|1,0,0]=3 6978 B13R0.119 C=CCNC(=O)CSCCCC(C)O 62a_100000183597_200000718107 [0,2,0,0,0,0|1,0,0]=3 6979 B13R0.119 C=CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183597 [0,2,0,0,0,0|1,0,0]=3 6980 B13R0.119 C=CCNC(=O)CSCCCN(C)C 62a_100000183597_100000757444 [0,2,0,0,0,0|2,0,0]=4 6981 B13R0.119 C=CCNC(=O)CSCCOC(C)C 62a_100000183597_100000211751 [0,2,0,0,0,0|2,0,0]=4 6982 B13R0.119 C=CCNC(=O)CSCCOC(C)C 62a_100000211751_100000183597 [0,2,0,0,0,0|2,0,0]=4 6983 B13R0.119 C=CCNC(=O)CSCCSC(C)C 62a_100000183597_100000730970 [0,2,0,0,0,0|2,0,0]=4 6984 B13R0.119 C=CCNC(=O)CSCCSC(C)C 62a_100000730970_100000183597 [0,2,0,0,0,0|2,0,0]=4 6985 B13R0.119 C=CCNC(=O)NCCCCN(C)C 2708a_100025707445_100020586998 [0,2,0,0,0,0|2,0,0]=4 6986 B13R0.119 C=CCNC(=O)NCCCCN(C)C 273464a_100020586998_100025707445 [0,2,0,0,0,0|2,0,0]=4 6987 B13R0.119 C=CCNC(=O)NCCCCN(C)C 273464a_100025707445_100020586998 [0,2,0,0,0,0|2,0,0]=4 6988 B13R0.119 C=CCNC(=O)NCCCCN(C)C 512a_100020586998_100025707445 [0,2,0,0,0,0|2,0,0]=4 6989 B13R0.119 C=CCNC(=O)NCCCCN(C)C 512a_100025707445_100020586998 [0,2,0,0,0,0|2,0,0]=4 6990 B13R0.119 C=CCNC(=O)NCCCOC(C)C 2708a_100000737246_100020586998 [0,2,0,0,0,0|2,0,0]=4 6991 B13R0.119 C=CCNC(=O)NCCCOC(C)C 273464a_100000737246_100020586998 [0,2,0,0,0,0|2,0,0]=4 6992 B13R0.119 C=CCNC(=O)NCCCOC(C)C 273464a_100020586998_100000737246 [0,2,0,0,0,0|2,0,0]=4 6993 B13R0.119 C=CCNC(=O)NCCCOC(C)C 512a_100000737246_100020586998 [0,2,0,0,0,0|2,0,0]=4 6994 B13R0.119 C=CCNC(=O)NCCCOC(C)C 512a_100020586998_100000737246 [0,2,0,0,0,0|2,0,0]=4 6995 B13R0.119 C=CCOC(=O)CNCCCC(=O)N 34a_100000739312_100000033060 [0,2,0,0,0,0|1,0,1]=4 6996 B13R0.119 C=CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000033060 [0,2,0,0,0,0|0,0,0]=2 6997 B13R0.119 C=CCOC(=O)CNCCCC(C)C 34a_200000737386_100000033060 [0,2,0,0,0,0|0,0,0]=2 6998 B13R0.119 C=CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000033060 [0,2,0,0,0,0|1,0,0]=3 6999 B13R0.119 C=CCOC(=O)CNCCNC(=O)C 2230a_100000209853_100000033060 [0,2,0,0,0,0|1,0,1]=4 7000 B13R0.119 C=CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000033060 [0,2,0,0,0,0|1,0,0]=3 7001 B13R0.119 C=CCOC(=O)CNCCOC(C)C 34a_100000701111_100000033060 [0,2,0,0,0,0|1,0,0]=3 7002 B13R0.119 C=CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000033060 [0,2,0,0,0,0|1,0,0]=3 7003 B13R0.119 C=CCOC(=O)CNCCSC(C)C 34a_100000731138_100000033060 [0,2,0,0,0,0|1,0,0]=3 7004 B13R0.119 C=CCOC(=O)COCCCC(=O)C 34a_100000759063_100000033060 [0,2,0,0,0,0|0,0,1]=3 7005 B13R0.119 C=CCOC(=O)COCCCC(=O)C 7a_100000759063_100000033060 [0,2,0,0,0,0|0,0,1]=3 7006 B13R0.119 C=CCOC(=O)COCCCC(C)C 34a_100000210774_100000033060 [0,2,0,0,0,0|0,0,0]=2 7007 B13R0.119 C=CCOC(=O)COCCCC(C)C 7a_100000210774_100000033060 [0,2,0,0,0,0|0,0,0]=2 7008 B13R0.119 C=CCOC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000033060 [0,2,0,0,0,0|2,0,0]=4 7009 B13R0.119 C=CCOC(=O)COCCNC(=O)C 34a_100000158858_100000033060 [0,2,0,0,0,0|1,0,1]=4 7010 B13R0.119 C=CCOC(=O)COCCNC(C)C 34a_100000224655_100000033060 [0,2,0,0,0,0|1,0,0]=3 7011 B13R0.119 C=CCOC(=O)COCCOC(C)C 34a_100000211219_100000033060 [0,2,0,0,0,0|1,0,0]=3 7012 B13R0.119 C=CCOC(=O)COCCOC(C)C 7a_100000211219_100000033060 [0,2,0,0,0,0|1,0,0]=3 7013 B13R0.119 C=CCOC(=O)COCCSC(C)C 34a_200011212901_100000033060 [0,2,0,0,0,0|1,0,0]=3 7014 B13R0.119 C=CCOC(=O)COCCSC(C)C 7a_200011212901_100000033060 [0,2,0,0,0,0|1,0,0]=3 7015 B13R0.119 C=CCOC(=O)CSCCC=C(C)C 62a_100000033060_100011217483 [0,2,0,0,0,0|0,0,2]=4 7016 B13R0.119 C=CCOC(=O)CSCCC=C(C)C 62a_100011217483_100000033060 [0,2,0,0,0,0|0,0,2]=4 7017 B13R0.119 C=CCOC(=O)CSCCCC(=O)C 62a_100000033060_100011215641 [0,2,0,0,0,0|0,0,1]=3 7018 B13R0.119 C=CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000033060 [0,2,0,0,0,0|0,0,1]=3 7019 B13R0.119 C=CCOC(=O)CSCCCC(=O)N 62a_100000033060_100102525003 [0,2,0,0,0,0|1,0,1]=4 7020 B13R0.119 C=CCOC(=O)CSCCCC(=O)N 62a_100102525003_100000033060 [0,2,0,0,0,0|1,0,1]=4 7021 B13R0.119 C=CCOC(=O)CSCCCC(C)C 62a_100000033060_100011214892 [0,2,0,0,0,0|0,0,0]=2 7022 B13R0.119 C=CCOC(=O)CSCCCC(C)C 62a_100011214892_100000033060 [0,2,0,0,0,0|0,0,0]=2 7023 B13R0.119 C=CCOC(=O)CSCCCC(C)O 62a_100000033060_200000718107 [0,2,0,0,0,0|0,0,0]=2 7024 B13R0.119 C=CCOC(=O)CSCCCC(C)O 62a_200000718107_100000033060 [0,2,0,0,0,0|0,0,0]=2 7025 B13R0.119 C=CCOC(=O)CSCCCN(C)C 62a_100000033060_100000757444 [0,2,0,0,0,0|1,0,0]=3 7026 B13R0.119 C=CCOC(=O)CSCCNC(=O)C 62a_100000033060_100000189650 [0,2,0,0,0,0|1,0,1]=4 7027 B13R0.119 C=CCOC(=O)CSCCNC(=O)C 62a_100000189650_100000033060 [0,2,0,0,0,0|1,0,1]=4 7028 B13R0.119 C=CCOC(=O)CSCCOC(=O)C 62a_100000033060_100009814007 [0,2,0,0,0,0|1,0,1]=4 7029 B13R0.119 C=CCOC(=O)CSCCOC(=O)C 62a_100009814007_100000033060 [0,2,0,0,0,0|1,0,1]=4 7030 B13R0.119 C=CCOC(=O)CSCCOC(C)C 62a_100000033060_100000211751 [0,2,0,0,0,0|1,0,0]=3 7031 B13R0.119 C=CCOC(=O)CSCCOC(C)C 62a_100000211751_100000033060 [0,2,0,0,0,0|1,0,0]=3 7032 B13R0.119 C=CCOC(=O)CSCCSC(C)C 62a_100000033060_100000730970 [0,2,0,0,0,0|1,0,0]=3 7033 B13R0.119 C=CCOC(=O)CSCCSC(C)C 62a_100000730970_100000033060 [0,2,0,0,0,0|1,0,0]=3 7034 B13R0.119 CCCOC(=O)CNCCCC(C)C 2230a_200000737386_200011215008 [0,2,0,0,0,0|0,0,2]=4 7035 B13R0.119 CCCOC(=O)CNCCCC(C)C 34a_200000737386_200011215008 [0,2,0,0,0,0|0,0,2]=4 7036 B13R0.119 CCCOC(=O)COCCCC(C)C 34a_100000210774_200011215008 [0,2,0,0,0,0|0,0,2]=4 7037 B13R0.119 CCCOC(=O)COCCCC(C)C 7a_100000210774_200011215008 [0,2,0,0,0,0|0,0,2]=4 7038 B13R0.119 CCCOC(=O)CSCCCC(C)C 62a_100011214892_200011215008 [0,2,0,0,0,0|0,0,2]=4 7039 B13R0.119 CCCOC(=O)CSCCCC(C)C 62a_200011215008_100011214892 [0,2,0,0,0,0|0,0,2]=4 7040 B13R0.119 CCCOC(=O)CSCCCC(C)O 62a_200000718107_200011215008 [0,2,0,0,0,0|0,0,2]=4 7041 B13R0.119 CCCOC(=O)CSCCCC(C)O 62a_200011215008_200000718107 [0,2,0,0,0,0|0,0,2]=4 7042 B13R0.154 C#CCCCCCC(=O)CCC(=C)C 1458a_100000694772_100000730704 [0,2,0,0,0,0|1,0,1]=4 7043 B13R0.154 C#CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100012094781 [0,2,0,0,0,0|1,0,1]=4 7044 B13R0.154 C#CCCCCCC(=O)NCC(=C)C 11a_100000765925_100000694772 [0,2,0,0,0,0|1,0,1]=4 7045 B13R0.154 C#CCCCCCC(=O)NCC(=C)C 1626a_100000765925_100000694772 [0,2,0,0,0,0|1,0,1]=4 7046 B13R0.154 C#CCCCCCC(=O)NCC(=C)C 240690a_100000765925_100000694772 [0,2,0,0,0,0|1,0,1]=4 7047 B13R0.154 C#CCCCCCC(=O)NCC(=C)C 527a_100000765925_100000694772 [0,2,0,0,0,0|1,0,1]=4 7048 B13R0.154 C=C(C)CCC(=O)C#CCCCCC 1458a_100011215388_100000730704 [0,2,0,0,0,0|1,0,1]=4 7049 B13R0.154 C=C(C)CCC(=O)C/C=C/CCCC 1458a_200016282684_100000730704 [0,2,0,0,0,0|1,0,1]=4 7050 B13R0.154 C=C(C)CCC(=O)C=CCCCCC 1458a_100016263427_100000730704 [0,2,0,0,0,0|1,0,1]=4 7051 B13R0.154 C=C(C)CCC(=O)CCCCCC#N 1458a_200000688413_100009813376 [0,2,0,0,0,0|1,0,1]=4 7052 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|1,0,0]=3 7053 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|1,0,0]=3 7054 B13R0.154 C=C(C)CCC(=O)CCCCCCF 1458a_200000688413_100015922095 [0,2,0,0,0,0|1,0,0]=3 7055 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_100011996774_100000730704 [0,2,0,0,0,0|1,0,0]=3 7056 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_200000688413_100000766143 [0,2,0,0,0,0|1,0,0]=3 7057 B13R0.154 C=C(C)CCC(=O)CCCCCOC 1458a_100011935119_100000730704 [0,2,0,0,0,0|1,0,0]=3 7058 B13R0.154 C=C(C)CCC(=O)CCOCCCC 1458a_200000688413_100000743108 [0,2,0,0,0,0|1,0,0]=3 7059 B13R0.154 C=C(C)CCC(=O)CCOCCOC 1458a_100000745395_100000730704 [0,2,0,0,0,0|2,0,0]=4 7060 B13R0.154 C=C(C)CCC(=O)CCOCCOC 1458a_200000688413_100000695917 [0,2,0,0,0,0|2,0,0]=4 7061 B13R0.154 C=C(C)CCC(=O)NCCCCCC 11a_100000210581_200000688413 [0,2,0,0,0,0|1,0,0]=3 7062 B13R0.154 C=C(C)CCC(=O)NCCCCCC 1626a_100000210581_200000688413 [0,2,0,0,0,0|1,0,0]=3 7063 B13R0.154 C=C(C)CCC(=O)NCCCCCC 240690a_100000210581_200000688413 [0,2,0,0,0,0|1,0,0]=3 7064 B13R0.154 C=C(C)CCC(=O)NCCCCCC 527a_100000210581_200000688413 [0,2,0,0,0,0|1,0,0]=3 7065 B13R0.154 C=C(C)CCC(=O)NCCCCCO 240690a_100000762737_200000688413 [0,2,0,0,0,0|2,0,0]=4 7066 B13R0.154 C=C(C)CCC(=O)NCCCOCC 11a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7067 B13R0.154 C=C(C)CCC(=O)NCCCOCC 1626a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7068 B13R0.154 C=C(C)CCC(=O)NCCCOCC 240690a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7069 B13R0.154 C=C(C)CCC(=O)NCCCOCC 527a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7070 B13R0.154 C=C(C)CCC(=O)NCCOCCC 1626a_100161115042_200000688413 [0,2,0,0,0,0|2,0,0]=4 7071 B13R0.154 C=C(C)CCC(=O)NCCOCCC 240690a_100161115042_200000688413 [0,2,0,0,0,0|2,0,0]=4 7072 B13R0.154 C=C(C)CCC(=O)NCCOCCC 527a_100161115042_200000688413 [0,2,0,0,0,0|2,0,0]=4 7073 B13R0.154 C=C(C)CCC(=O)NCCSCCC 11a_100020603323_200000688413 [0,2,0,0,0,0|2,0,0]=4 7074 B13R0.154 C=C(C)CCC(=O)NCCSCCC 240690a_100020603323_200000688413 [0,2,0,0,0,0|2,0,0]=4 7075 B13R0.154 C=C(C)CCC(=O)NCCSCCC 527a_100020603323_200000688413 [0,2,0,0,0,0|2,0,0]=4 7076 B13R0.154 C=C(C)CCC(=O)NNCCCCC 22a_100000694160_200000688413 [0,2,0,0,0,0|2,0,0]=4 7077 B13R0.154 C=C(C)CNC(=O)C#CCCCCC 240690a_100000765925_100011215388 [0,2,0,0,0,0|1,0,1]=4 7078 B13R0.154 C=C(C)CNC(=O)C/C=C/CCCC 11a_100000765925_200016282684 [0,2,0,0,0,0|1,0,1]=4 7079 B13R0.154 C=C(C)CNC(=O)C/C=C/CCCC 1626a_100000765925_200016282684 [0,2,0,0,0,0|1,0,1]=4 7080 B13R0.154 C=C(C)CNC(=O)C/C=C/CCCC 240690a_100000765925_200016282684 [0,2,0,0,0,0|1,0,1]=4 7081 B13R0.154 C=C(C)CNC(=O)C/C=C/CCCC 527a_100000765925_200016282684 [0,2,0,0,0,0|1,0,1]=4 7082 B13R0.154 C=C(C)CNC(=O)C=CCCCCC 11a_100000765925_100016263427 [0,2,0,0,0,0|1,0,1]=4 7083 B13R0.154 C=C(C)CNC(=O)C=CCCCCC 1626a_100000765925_100016263427 [0,2,0,0,0,0|1,0,1]=4 7084 B13R0.154 C=C(C)CNC(=O)C=CCCCCC 240690a_100000765925_100016263427 [0,2,0,0,0,0|1,0,1]=4 7085 B13R0.154 C=C(C)CNC(=O)CCCCCCC 11a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 7086 B13R0.154 C=C(C)CNC(=O)CCCCCCC 1626a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 7087 B13R0.154 C=C(C)CNC(=O)CCCCCCC 240690a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 7088 B13R0.154 C=C(C)CNC(=O)CCCCCCC 527a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 7089 B13R0.154 C=C(C)CNC(=O)CCCCCCO 240690a_100000765925_100011996774 [0,2,0,0,0,0|1,0,0]=3 7090 B13R0.154 C=C(C)CNC(=O)CCCCCOC 11a_100000765925_100011935119 [0,2,0,0,0,0|1,0,0]=3 7091 B13R0.154 C=C(C)CNC(=O)CCCCCOC 1626a_100000765925_100011935119 [0,2,0,0,0,0|1,0,0]=3 7092 B13R0.154 C=C(C)CNC(=O)CCCCCOC 240690a_100000765925_100011935119 [0,2,0,0,0,0|1,0,0]=3 7093 B13R0.154 C=C(C)CNC(=O)CCCCCOC 527a_100000765925_100011935119 [0,2,0,0,0,0|1,0,0]=3 7094 B13R0.154 C=C(C)CNC(=O)CCOCCOC 11a_100000765925_100000745395 [0,2,0,0,0,0|2,0,0]=4 7095 B13R0.154 C=C(C)CNC(=O)CCOCCOC 1626a_100000765925_100000745395 [0,2,0,0,0,0|2,0,0]=4 7096 B13R0.154 C=C(C)CNC(=O)CCOCCOC 240690a_100000765925_100000745395 [0,2,0,0,0,0|2,0,0]=4 7097 B13R0.154 C=C(C)CNC(=O)CCOCCOC 527a_100000765925_100000745395 [0,2,0,0,0,0|2,0,0]=4 7098 B13R0.154 C=C(C)CNC(=O)NCCCCCC 2708a_100000210581_100000765925 [0,2,0,0,0,0|1,0,0]=3 7099 B13R0.154 C=C(C)CNC(=O)NCCCCCC 2708a_100000765925_100000210581 [0,2,0,0,0,0|1,0,0]=3 7100 B13R0.154 C=C(C)CNC(=O)NCCCCCC 273464a_100000210581_100000765925 [0,2,0,0,0,0|1,0,0]=3 7101 B13R0.154 C=C(C)CNC(=O)NCCCCCC 273464a_100000765925_100000210581 [0,2,0,0,0,0|1,0,0]=3 7102 B13R0.154 C=C(C)CNC(=O)NCCCCCC 512a_100000210581_100000765925 [0,2,0,0,0,0|1,0,0]=3 7103 B13R0.154 C=C(C)CNC(=O)NCCCCCC 512a_100000765925_100000210581 [0,2,0,0,0,0|1,0,0]=3 7104 B13R0.154 C=C(C)CNC(=O)NCCCCCO 2708a_100000765925_100000762737 [0,2,0,0,0,0|2,0,0]=4 7105 B13R0.154 C=C(C)CNC(=O)NCCCCCO 273464a_100000762737_100000765925 [0,2,0,0,0,0|2,0,0]=4 7106 B13R0.154 C=C(C)CNC(=O)NCCCCCO 273464a_100000765925_100000762737 [0,2,0,0,0,0|2,0,0]=4 7107 B13R0.154 C=C(C)CNC(=O)NCCCCCO 512a_100000762737_100000765925 [0,2,0,0,0,0|2,0,0]=4 7108 B13R0.154 C=C(C)CNC(=O)NCCCCCO 512a_100000765925_100000762737 [0,2,0,0,0,0|2,0,0]=4 7109 B13R0.154 C=C(C)CNC(=O)NCCCOCC 2708a_100000210961_100000765925 [0,2,0,0,0,0|2,0,0]=4 7110 B13R0.154 C=C(C)CNC(=O)NCCCOCC 2708a_100000765925_100000210961 [0,2,0,0,0,0|2,0,0]=4 7111 B13R0.154 C=C(C)CNC(=O)NCCCOCC 273464a_100000210961_100000765925 [0,2,0,0,0,0|2,0,0]=4 7112 B13R0.154 C=C(C)CNC(=O)NCCCOCC 273464a_100000765925_100000210961 [0,2,0,0,0,0|2,0,0]=4 7113 B13R0.154 C=C(C)CNC(=O)NCCCOCC 512a_100000210961_100000765925 [0,2,0,0,0,0|2,0,0]=4 7114 B13R0.154 C=C(C)CNC(=O)NCCCOCC 512a_100000765925_100000210961 [0,2,0,0,0,0|2,0,0]=4 7115 B13R0.154 C=C(C)CNC(=O)NCCOCCC 2708a_100000765925_100161115042 [0,2,0,0,0,0|2,0,0]=4 7116 B13R0.154 C=C(C)CNC(=O)NCCOCCC 2708a_100161115042_100000765925 [0,2,0,0,0,0|2,0,0]=4 7117 B13R0.154 C=C(C)CNC(=O)NCCOCCC 273464a_100000765925_100161115042 [0,2,0,0,0,0|2,0,0]=4 7118 B13R0.154 C=C(C)CNC(=O)NCCOCCC 273464a_100161115042_100000765925 [0,2,0,0,0,0|2,0,0]=4 7119 B13R0.154 C=C(C)CNC(=O)NCCOCCC 512a_100000765925_100161115042 [0,2,0,0,0,0|2,0,0]=4 7120 B13R0.154 C=C(C)CNC(=O)NCCOCCC 512a_100161115042_100000765925 [0,2,0,0,0,0|2,0,0]=4 7121 B13R0.154 C=C(C)CNC(=O)NCCSCCC 2708a_100000765925_100020603323 [0,2,0,0,0,0|2,0,0]=4 7122 B13R0.154 C=C(C)CNC(=O)NCCSCCC 2708a_100020603323_100000765925 [0,2,0,0,0,0|2,0,0]=4 7123 B13R0.154 C=C(C)CNC(=O)NCCSCCC 273464a_100000765925_100020603323 [0,2,0,0,0,0|2,0,0]=4 7124 B13R0.154 C=C(C)CNC(=O)NCCSCCC 273464a_100020603323_100000765925 [0,2,0,0,0,0|2,0,0]=4 7125 B13R0.154 C=C(C)CNC(=O)NCCSCCC 512a_100000765925_100020603323 [0,2,0,0,0,0|2,0,0]=4 7126 B13R0.154 C=C(C)CNC(=O)NCCSCCC 512a_100020603323_100000765925 [0,2,0,0,0,0|2,0,0]=4 7127 B13R0.154 C=C(C)CNC(=O)NNCCCCC 273464a_100000765925_100000694160 [0,2,0,0,0,0|2,0,0]=4 7128 B13R0.154 C=C(C)CNC(=O)NNCCCCC 512a_100000694160_100000765925 [0,2,0,0,0,0|2,0,0]=4 7129 B13R0.154 C=C(C)CNC(=O)NNCCCCC 512a_100000765925_100000694160 [0,2,0,0,0,0|2,0,0]=4 7130 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,2,0,0,0,0|1,0,1]=4 7131 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,2,0,0,0,0|1,0,1]=4 7132 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,2,0,0,0,0|1,0,1]=4 7133 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,2,0,0,0,0|1,0,1]=4 7134 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,2,0,0,0,0|1,0,1]=4 7135 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,2,0,0,0,0|1,0,1]=4 7136 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_100011934241_100000730704 [0,2,0,0,0,0|1,0,1]=4 7137 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100000700193 [0,2,0,0,0,0|1,0,1]=4 7138 B13R0.154 C=CCCCCCC(=O)NCC(=C)C 11a_100000765925_100011934241 [0,2,0,0,0,0|1,0,1]=4 7139 B13R0.154 C=CCCCCCC(=O)NCC(=C)C 1626a_100000765925_100011934241 [0,2,0,0,0,0|1,0,1]=4 7140 B13R0.154 C=CCCCCCC(=O)NCC(=C)C 240690a_100000765925_100011934241 [0,2,0,0,0,0|1,0,1]=4 7141 B13R0.154 C=CCCCCCC(=O)NCC(=C)C 527a_100000765925_100011934241 [0,2,0,0,0,0|1,0,1]=4 7142 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|2,0,0]=4 7143 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|1,0,1]=4 7144 B13R0.154 CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000211969 [0,2,0,0,0,0|2,0,0]=4 7145 B13R0.154 CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000211969 [0,2,0,0,0,0|2,0,0]=4 7146 B13R0.154 CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000211969 [0,2,0,0,0,0|2,0,0]=4 7147 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|1,0,1]=4 7148 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|0,0,1]=3 7149 B13R0.154 CCCCCCCC(=O)OCN(C)C 2230a_100102631434_100009852258 [0,2,0,0,0,0|1,0,1]=4 7150 B13R0.154 CCCCCCCC(=O)OCN(C)C 269982a_100102631434_100009852258 [0,2,0,0,0,0|1,0,1]=4 7151 B13R0.154 CCCCCCNC(=O)CCC(=O)N 240690a_100000210581_100011215257 [0,2,0,0,0,0|2,0,0]=4 7152 B13R0.154 CCCCCCNC(=O)CCC(=O)N 527a_100000210581_100011215257 [0,2,0,0,0,0|2,0,0]=4 7153 B13R0.154 CCCCCCNC(=O)NCC(=O)N 2708a_100000210581_100000711301 [0,2,0,0,0,0|2,0,0]=4 7154 B13R0.154 CCCCCCNC(=O)NCC(=O)N 273464a_100000210581_100000711301 [0,2,0,0,0,0|2,0,0]=4 7155 B13R0.154 CCCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000210581 [0,2,0,0,0,0|2,0,0]=4 7156 B13R0.154 CCCCCCNC(=O)NCC(=O)N 512a_100000210581_100000711301 [0,2,0,0,0,0|2,0,0]=4 7157 B13R0.154 CCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210326 [0,2,0,0,0,0|2,0,0]=4 7158 B13R0.154 CCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210211 [0,2,0,0,0,0|2,0,0]=4 7159 B13R0.154 CCCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000743108 [0,2,0,0,0,0|2,0,0]=4 7160 B13R0.154 COCCCCCC(=O)NCC(=O)N 11a_100000711301_100011935119 [0,2,0,0,0,0|2,0,0]=4 7161 B13R0.154 COCCCCCC(=O)NCC(=O)N 240690a_100000711301_100011935119 [0,2,0,0,0,0|2,0,0]=4 7162 B13R0.154 COCCCCCC(=O)NCC(=O)N 527a_100000711301_100011935119 [0,2,0,0,0,0|2,0,0]=4 7163 B13R0.154 NC(=O)CCC(=O)CCCCCCF 1458a_100011215257_100015922095 [0,2,0,0,0,0|2,0,0]=4 7164 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,2,0,0,0,0|2,0,0]=4 7165 B13R0.154 NC(=O)CNC(=O)CCCCCCO 240690a_100000711301_100011996774 [0,2,0,0,0,0|2,0,0]=4 7166 B13R0.689 C=CCOC(C)(C)CCCCCCC 34a_200000210373_200000046972 [0,2,0,0,0,0|1,0,1]=4 7167 B13R0.139 C=C(C)CCC(=O)C(C)CCCCC 1458a_100011215998_100000730704 [0,2,0,0,0,0|1,0,0]=3 7168 B13R0.139 C=C(C)CCC(=O)C(C)CCCCC 1458a_200000688413_200011218191 [0,2,0,0,0,0|1,0,0]=3 7169 B13R0.139 C=C(C)CCC(=O)C(C)SCCCC 1458a_100000191163_100000730704 [0,2,0,0,0,0|2,0,0]=4 7170 B13R0.139 C=C(C)CCC(=O)N(C)CCCCC 11a_100000223495_200000688413 [0,2,0,0,0,0|2,0,0]=4 7171 B13R0.139 C=C(C)CCC(=O)N(C)CCCCC 1626a_100000223495_200000688413 [0,2,0,0,0,0|2,0,0]=4 7172 B13R0.139 C=C(C)CCC(=O)N(C)CCCCC 240690a_100000223495_200000688413 [0,2,0,0,0,0|2,0,0]=4 7173 B13R0.139 C=C(C)CCC(=O)N(C)CCCCC 527a_100000223495_200000688413 [0,2,0,0,0,0|2,0,0]=4 7174 B13R0.139 C=C(C)CNC(=O)C(C)CCCCC 11a_100000765925_100011215998 [0,2,0,0,0,0|1,0,0]=3 7175 B13R0.139 C=C(C)CNC(=O)C(C)CCCCC 1626a_100000765925_100011215998 [0,2,0,0,0,0|1,0,0]=3 7176 B13R0.139 C=C(C)CNC(=O)C(C)CCCCC 240690a_100000765925_100011215998 [0,2,0,0,0,0|1,0,0]=3 7177 B13R0.139 C=C(C)CNC(=O)C(C)CCCCC 527a_100000765925_100011215998 [0,2,0,0,0,0|1,0,0]=3 7178 B13R0.139 C=C(C)CNC(=O)C(C)SCCCC 11a_100000765925_100000191163 [0,2,0,0,0,0|2,0,0]=4 7179 B13R0.139 C=C(C)CNC(=O)C(C)SCCCC 1626a_100000765925_100000191163 [0,2,0,0,0,0|2,0,0]=4 7180 B13R0.139 C=C(C)CNC(=O)C(C)SCCCC 240690a_100000765925_100000191163 [0,2,0,0,0,0|2,0,0]=4 7181 B13R0.139 C=C(C)CNC(=O)C(C)SCCCC 527a_100000765925_100000191163 [0,2,0,0,0,0|2,0,0]=4 7182 B13R0.139 C=C(C)CNC(=O)N(C)CCCCC 2708a_100000765925_100000223495 [0,2,0,0,0,0|2,0,0]=4 7183 B13R0.139 C=C(C)CNC(=O)N(C)CCCCC 273464a_100000765925_100000223495 [0,2,0,0,0,0|2,0,0]=4 7184 B13R0.139 CCCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011218191 [0,2,0,0,0,0|2,0,0]=4 7185 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N 11a_100000711301_100011215998 [0,2,0,0,0,0|2,0,0]=4 7186 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N 240690a_100000711301_100011215998 [0,2,0,0,0,0|2,0,0]=4 7187 B13R0.139 CCCCCC(C)C(=O)NCC(=O)N 527a_100000711301_100011215998 [0,2,0,0,0,0|2,0,0]=4 7188 B13R0.1167 C=C(C)CNS(=O)(=O)CCCCCC 270084a_100000765925_100011361803 [0,2,0,0,0,0|2,0,0]=4 7189 B13R0.1167 C=C(C)CNS(=O)(=O)CCCCCC 274078a_100000765925_100011361803 [0,2,0,0,0,0|2,0,0]=4 7190 B13R0.1167 C=C(C)COC(C)(C)CCCCCC 7a_200011995690_100000748629 [0,2,0,0,0,0|1,0,1]=4 7191 B13R0.1167 C=C(F)COC(C)(C)CCCCCC 7a_200011995690_100000042424 [0,2,0,0,0,0|1,0,1]=4 7192 B13R0.801 C=CCOC(=O)C(F)(F)NCCCC 7a_106832991798_200000069019 [0,2,0,0,0,0|1,0,0]=3 7193 B13R0.801 C=CCOC(=O)C(F)(F)NCCCF 34a_100015189416_200000069019 [0,2,0,0,0,0|2,0,0]=4 7194 B13R0.801 C=CCOC(=O)C(F)(F)OCCCBr 34a_100011217188_200000069019 [0,2,0,0,0,0|2,0,0]=4 7195 B13R0.801 C=CCOC(=O)C(F)(F)OCCCC 34a_100000210227_200000069019 [0,2,0,0,0,0|1,0,0]=3 7196 B13R0.801 C=CCOC(=O)C(F)(F)OCCCC 7a_100000210227_200000069019 [0,2,0,0,0,0|1,0,0]=3 7197 B13R0.801 C=CCOC(=O)C(F)(F)OCCCCl 34a_100000230001_200000069019 [0,2,0,0,0,0|2,0,0]=4 7198 B13R0.801 C=CCOC(=O)C(F)(F)OCCCF 34a_100000759539_200000069019 [0,2,0,0,0,0|2,0,0]=4 7199 B13R0.801 C=CCOC(=O)C(F)(F)OCCCN 34a_100000182051_200000069019 [0,2,0,0,0,0|2,0,0]=4 7200 B13R0.801 C=CCOC(=O)C(F)(F)OCCOC 34a_100000210237_200000069019 [0,2,0,0,0,0|2,0,0]=4 7201 B13R0.801 C=CCOC(=O)C(F)(F)OCCSC 34a_100000230434_200000069019 [0,2,0,0,0,0|2,0,0]=4 7202 B13R0.801 C=CCOC(=O)C(F)(F)OCCSC 7a_100000230434_200000069019 [0,2,0,0,0,0|2,0,0]=4 7203 B13R0.801 C=CCOC(=O)C(F)(F)SCCCC 62a_100000210211_200000069019 [0,2,0,0,0,0|1,0,0]=3 7204 B13R0.801 C=CCOC(=O)C(F)(F)SCCCC 62a_200000069019_100000210210 [0,2,0,0,0,0|1,0,0]=3 7205 B13R0.801 C=CCOC(=O)C(F)(F)SCCCF 62a_100011934791_200000069019 [0,2,0,0,0,0|2,0,0]=4 7206 B13R0.801 C=CCOC(=O)C(F)(F)SCCCF 62a_200000069019_100011934791 [0,2,0,0,0,0|2,0,0]=4 7207 B13R0.801 C=CCOC(=O)C(F)(F)SCCCO 62a_100011215043_200000069019 [0,2,0,0,0,0|2,0,0]=4 7208 B13R0.801 C=CCOC(=O)C(F)(F)SCCCO 62a_200000069019_100011215043 [0,2,0,0,0,0|2,0,0]=4 7209 B13R0.801 C=CCOC(=O)C(F)(F)SCCOC 62a_100000233755_200000069019 [0,2,0,0,0,0|2,0,0]=4 7210 B13R0.801 C=CCOC(=O)C(F)(F)SCCOC 62a_200000069019_100000233755 [0,2,0,0,0,0|2,0,0]=4 7211 B13R0.801 C=CCOC(=O)C(F)(F)SCCSC 62a_100000212216_200000069019 [0,2,0,0,0,0|2,0,0]=4 7212 B13R0.801 C=CCOC(=O)C(F)(F)SCCSC 62a_200000069019_100000751147 [0,2,0,0,0,0|2,0,0]=4 7213 B13R0.801 C=CCOC(=O)C(F)(F)SCOCC 62a_100000739092_200000069019 [0,2,0,0,0,0|2,0,0]=4 7214 B13R0.801 C=CCOC(=O)C(F)(F)SCOCC 62a_200000069019_100000739092 [0,2,0,0,0,0|2,0,0]=4 7215 B13R0.1053 C=CCCC(=O)C(CC)CCCCC 1458a_100000697129_100000754431 [0,2,0,0,0,0|1,0,0]=3 7216 B13R0.1053 C=CCNC(=O)C(CC)CCCCC 1626a_100020586998_100000697129 [0,2,0,0,0,0|1,0,0]=3 7217 B13R0.1053 C=CCNC(=O)C(CC)CCCCC 240690a_100020586998_100000697129 [0,2,0,0,0,0|1,0,0]=3 7218 B13R0.1053 C=CCNC(=O)C(CC)CCCCC 527a_100020586998_100000697129 [0,2,0,0,0,0|1,0,0]=3 7219 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [1,0,0,1,0,0|2,0,0]=4 7220 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,0,0,1,0,0|2,0,0]=4 7221 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,0,0,1,0,0|2,0,0]=4 7222 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [1,0,0,1,0,0|2,0,0]=4 7223 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [1,0,0,1,0,0|2,0,0]=4 7224 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,0,0,1,0,0|2,0,0]=4 7225 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,0,0,1,0,0|2,0,0]=4 7226 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,0,0,1,0,0|2,0,0]=4 7227 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,0,0,1,0,0|2,0,0]=4 7228 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [1,0,0,1,0,0|2,0,0]=4 7229 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [1,0,0,1,0,0|2,0,0]=4 7230 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [1,0,0,1,0,0|2,0,0]=4 7231 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [1,0,0,1,0,0|2,0,0]=4 7232 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,0,0,1,0,0|2,0,0]=4 7233 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [1,0,0,1,0,0|2,0,0]=4 7234 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [1,0,0,1,0,0|2,0,0]=4 7235 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [1,0,0,1,0,0|2,0,0]=4 7236 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [1,0,0,1,0,0|2,0,0]=4 7237 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [1,0,0,1,0,0|2,0,0]=4 7238 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,0,0,1,0,0|2,0,0]=4 7239 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,0,0,1,0,0|2,0,0]=4 7240 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100000210647_100000184674 [1,0,0,1,0,0|0,0,2]=4 7241 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100011220946_100000210327 [1,0,0,1,0,0|0,0,2]=4 7242 B11R1.16 C=CCC(=O)C1=CCCCC1 1458a_100000765259_100000210623 [1,0,0,1,0,0|0,0,2]=4 7243 B11R1.16 C=CCC(=O)C1C=CCCC1 1458a_100000210193_100000751183 [1,0,0,1,0,0|0,0,2]=4 7244 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [1,0,0,1,0,0|0,0,0]=2 7245 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [1,0,0,1,0,0|0,0,0]=2 7246 B11R1.16 C=CCC(=O)C1CCCCO1 1458a_100000748299_100000210623 [1,0,0,1,0,0|1,0,0]=3 7247 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000210193_100000693364 [1,0,0,1,0,0|1,0,0]=3 7248 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000741522_100000210623 [1,0,0,1,0,0|1,0,0]=3 7249 B11R1.16 C=CCC(=O)C1CCOCC1 1458a_100000195482_100000210623 [1,0,0,1,0,0|1,0,0]=3 7250 B11R1.16 C=CCC(=O)C1CCOCC1 1458a_100000210193_100011324220 [1,0,0,1,0,0|1,0,0]=3 7251 B11R1.16 C=CCC(=O)C1CCSCC1 1458a_100000755232_100000210623 [1,0,0,1,0,0|1,0,0]=3 7252 B11R1.16 C=CCC(=O)C1COCCO1 1458a_100000045528_100000210623 [1,0,0,1,0,0|2,0,0]=4 7253 B11R1.16 C=CCC(=O)C1SCCCS1 1458a_100000028545_100000210623 [1,0,0,1,0,0|2,0,0]=4 7254 B11R1.16 C=CCC(=O)N1CCCOC1 11a_100000131196_100000210193 [1,0,0,1,0,0|2,0,0]=4 7255 B11R1.16 C=CCC(=O)N1CCCOC1 240690a_100000131196_100000210193 [1,0,0,1,0,0|2,0,0]=4 7256 B11R1.16 C=CCC(=O)N1CCOCC1 11a_100015191051_100000210193 [1,0,0,1,0,0|2,0,0]=4 7257 B11R1.16 C=CCC(=O)N1CCOCC1 1626a_100015191051_100000210193 [1,0,0,1,0,0|2,0,0]=4 7258 B11R1.16 C=CCC(=O)N1CCOCC1 240690a_100015191051_100000210193 [1,0,0,1,0,0|2,0,0]=4 7259 B11R1.16 C=CCC(=O)N1CCOCC1 527a_100015191051_100000210193 [1,0,0,1,0,0|2,0,0]=4 7260 B11R1.16 C=CCC(=O)N1CCSCC1 11a_100000737611_100000210193 [1,0,0,1,0,0|2,0,0]=4 7261 B11R1.16 C=CCC(=O)N1CCSCC1 240690a_100000737611_100000210193 [1,0,0,1,0,0|2,0,0]=4 7262 B11R1.16 C=CCC(=O)N1CCSCC1 527a_100000737611_100000210193 [1,0,0,1,0,0|2,0,0]=4 7263 B11R1.16 C=CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210623 [1,0,0,1,0,0|0,0,2]=4 7264 B11R1.16 C=CCN(C)C1CCCCC1 2230a_100000207522_100000210623 [1,0,0,1,0,0|2,0,0]=4 7265 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000207522_100000210623 [1,0,0,1,0,0|2,0,0]=4 7266 B11R1.16 C=CCN(C)C1CCCCC1 269982a_100000225617_100000210327 [1,0,0,1,0,0|2,0,0]=4 7267 B11R1.16 C=CCN(C)C1CCCCC1 270004a_100000225617_100000210434 [1,0,0,1,0,0|2,0,0]=4 7268 B11R1.16 C=CCN(C)C1CCCCC1 34a_100000207522_100015514636 [1,0,0,1,0,0|2,0,0]=4 7269 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [1,0,0,1,0,0|0,0,2]=4 7270 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [1,0,0,1,0,0|0,0,2]=4 7271 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [1,0,0,1,0,0|0,0,2]=4 7272 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [1,0,0,1,0,0|1,0,1]=4 7273 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [1,0,0,1,0,0|1,0,1]=4 7274 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [1,0,0,1,0,0|1,0,1]=4 7275 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [1,0,0,1,0,0|1,0,1]=4 7276 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [1,0,0,1,0,0|1,0,1]=4 7277 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [1,0,0,1,0,0|1,0,1]=4 7278 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [1,0,0,1,0,0|1,0,1]=4 7279 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [1,0,0,1,0,0|1,0,1]=4 7280 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [1,0,0,1,0,0|1,0,1]=4 7281 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [1,0,0,1,0,0|1,0,1]=4 7282 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [1,0,0,1,0,0|1,0,1]=4 7283 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100000210647_100011214920 [1,0,0,1,0,0|1,0,1]=4 7284 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100051588842_100000210327 [1,0,0,1,0,0|1,0,1]=4 7285 B11R1.16 O=C(C=CBr)C1CCCCC1 1458a_100016273825_100000210327 [1,0,0,1,0,0|1,0,1]=4 7286 B11R1.16 O=C(C=CCl)C1CCCCC1 1458a_200016279998_100000210327 [1,0,0,1,0,0|1,0,1]=4 7287 B11R1.16 O=C(C=CI)C1CCCCC1 1458a_100016256311_100000210327 [1,0,0,1,0,0|1,0,1]=4 7288 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [1,0,0,1,0,0|1,0,1]=4 7289 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [1,0,0,1,0,0|1,0,1]=4 7290 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [1,0,0,1,0,0|1,0,1]=4 7291 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [1,0,0,1,0,0|1,0,1]=4 7292 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [1,0,0,1,0,0|1,0,1]=4 7293 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [1,0,0,1,0,0|1,0,1]=4 7294 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100000210891_100000184674 [1,0,0,1,0,0|0,0,2]=4 7295 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100011220946_100000740388 [1,0,0,1,0,0|0,0,2]=4 7296 B11R1.30 C=CCC(=O)C=C1CCCC1 1458a_100000743260_100000210623 [1,0,0,1,0,0|0,0,2]=4 7297 B11R1.30 C=CCC(=O)CC1=CCCC1 1458a_100000050221_100000210623 [1,0,0,1,0,0|0,0,2]=4 7298 B11R1.30 C=CCC(=O)CC1C=CCC1 1458a_100000212241_100000210623 [1,0,0,1,0,0|0,0,2]=4 7299 B11R1.30 C=CCC(=O)CC1CC=CC1 1458a_200000137526_100000210623 [1,0,0,1,0,0|0,0,2]=4 7300 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210193_100000740388 [1,0,0,1,0,0|0,0,0]=2 7301 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210891_100000210623 [1,0,0,1,0,0|0,0,0]=2 7302 B11R1.30 C=CCC(=O)CC1CCCO1 1458a_100000210193_100000203698 [1,0,0,1,0,0|1,0,0]=3 7303 B11R1.30 C=CCC(=O)CC1CCOC1 1458a_100000210193_100000702531 [1,0,0,1,0,0|1,0,0]=3 7304 B11R1.30 C=CCC(=O)CC1CCOC1 1458a_100011218419_100000210623 [1,0,0,1,0,0|1,0,0]=3 7305 B11R1.30 C=CCC(=O)CC1OCCO1 1458a_100000210193_100000755774 [1,0,0,1,0,0|2,0,0]=4 7306 B11R1.30 C=CCC(=O)CN1CCCC1 1458a_100000740243_100000210623 [1,0,0,1,0,0|1,0,0]=3 7307 B11R1.30 C=CCC(=O)NC1CCCC1 11a_100000211070_100000210193 [1,0,0,1,0,0|1,0,0]=3 7308 B11R1.30 C=CCC(=O)NC1CCCC1 1626a_100000211070_100000210193 [1,0,0,1,0,0|1,0,0]=3 7309 B11R1.30 C=CCC(=O)NC1CCCC1 240690a_100000211070_100000210193 [1,0,0,1,0,0|1,0,0]=3 7310 B11R1.30 C=CCC(=O)NC1CCCC1 527a_100000211070_100000210193 [1,0,0,1,0,0|1,0,0]=3 7311 B11R1.30 C=CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210193 [1,0,0,1,0,0|2,0,0]=4 7312 B11R1.30 C=CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210193 [1,0,0,1,0,0|2,0,0]=4 7313 B11R1.30 C=CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210193 [1,0,0,1,0,0|2,0,0]=4 7314 B11R1.30 C=CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210193 [1,0,0,1,0,0|2,0,0]=4 7315 B11R1.30 C=CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210193 [1,0,0,1,0,0|2,0,0]=4 7316 B11R1.30 C=CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210193 [1,0,0,1,0,0|2,0,0]=4 7317 B11R1.30 C=CCN(C)CC1CCCC1 2230a_100000225617_100000740388 [1,0,0,1,0,0|2,0,0]=4 7318 B11R1.30 C=CCN(C)CC1CCCC1 269982a_100000225617_100000740388 [1,0,0,1,0,0|2,0,0]=4 7319 B11R1.30 C=COC(=O)CN1CCCC1 2230a_100000188435_100000036128 [1,0,0,1,0,0|1,0,0]=3 7320 B11R1.30 C=COC(=O)CN1CCCC1 269982a_100000188435_100000036128 [1,0,0,1,0,0|1,0,0]=3 7321 B11R1.30 C=COC(=O)CN1CCSC1 2230a_100011215254_100000036128 [1,0,0,1,0,0|2,0,0]=4 7322 B11R1.30 C=COC(=O)CN1CCSC1 269982a_100011215254_100000036128 [1,0,0,1,0,0|2,0,0]=4 7323 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [1,0,0,1,0,0|0,0,2]=4 7324 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [1,0,0,1,0,0|0,0,2]=4 7325 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [1,0,0,1,0,0|0,0,2]=4 7326 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [1,0,0,1,0,0|1,0,1]=4 7327 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [1,0,0,1,0,0|1,0,1]=4 7328 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [1,0,0,1,0,0|1,0,1]=4 7329 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [1,0,0,1,0,0|1,0,1]=4 7330 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [1,0,0,1,0,0|1,0,1]=4 7331 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [1,0,0,1,0,0|1,0,1]=4 7332 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [1,0,0,1,0,0|1,0,1]=4 7333 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100000210891_100011214920 [1,0,0,1,0,0|1,0,1]=4 7334 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100051588842_100000740388 [1,0,0,1,0,0|1,0,1]=4 7335 B11R1.30 O=C(C=CBr)CC1CCCC1 1458a_100016273825_100000740388 [1,0,0,1,0,0|1,0,1]=4 7336 B11R1.30 O=C(C=CCl)CC1CCCC1 1458a_200016279998_100000740388 [1,0,0,1,0,0|1,0,1]=4 7337 B11R1.30 O=C(C=CI)CC1CCCC1 1458a_100016256311_100000740388 [1,0,0,1,0,0|1,0,1]=4 7338 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [1,0,0,1,0,0|1,0,1]=4 7339 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [1,0,0,1,0,0|1,0,1]=4 7340 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [1,0,0,1,0,0|1,0,1]=4 7341 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [1,0,0,1,0,0|2,0,0]=4 7342 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [1,0,0,1,0,0|2,0,0]=4 7343 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [1,0,0,1,0,0|2,0,0]=4 7344 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,1,0,0|1,0,1]=4 7345 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,1,0,0|1,0,1]=4 7346 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,1,0,0|1,0,1]=4 7347 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,1,0,0|1,0,1]=4 7348 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,1,0,0|1,0,1]=4 7349 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,1,0,0|1,0,1]=4 7350 B11R1.199 C#CCC(=O)C1CCCC1C 1458a_100000690547_100000184674 [1,0,0,1,0,0|0,0,2]=4 7351 B11R1.199 C=CCC(=O)C1CCCC1=O 1458a_100000210193_100000211823 [1,0,0,1,0,0|1,0,1]=4 7352 B11R1.199 C=CCC(=O)C1CCCC1C 1458a_100000690547_100000210623 [1,0,0,1,0,0|0,0,0]=2 7353 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210193 [1,0,0,1,0,0|1,0,0]=3 7354 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210193 [1,0,0,1,0,0|1,0,0]=3 7355 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210193 [1,0,0,1,0,0|1,0,0]=3 7356 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210193 [1,0,0,1,0,0|1,0,0]=3 7357 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210193 [1,0,0,1,0,0|1,0,0]=3 7358 B11R1.199 C=CCC(=O)N1CCSC1C 11a_200011216479_100000210193 [1,0,0,1,0,0|2,0,0]=4 7359 B11R1.199 C=CCC(=O)N1CCSC1C 1626a_200011216479_100000210193 [1,0,0,1,0,0|2,0,0]=4 7360 B11R1.199 C=CCC(=O)N1CCSC1C 240690a_200011216479_100000210193 [1,0,0,1,0,0|2,0,0]=4 7361 B11R1.199 C=CCC(=O)N1CCSC1C 527a_200011216479_100000210193 [1,0,0,1,0,0|2,0,0]=4 7362 B11R1.199 C=CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210623 [1,0,0,1,0,0|1,0,0]=3 7363 B11R1.199 CC1CCCC1C(=O)CC#N 1458a_100000690547_100011214920 [1,0,0,1,0,0|1,0,1]=4 7364 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [1,0,0,1,0,0|1,0,1]=4 7365 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [1,0,0,1,0,0|1,0,1]=4 7366 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [1,0,0,1,0,0|0,0,2]=4 7367 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [1,0,0,1,0,0|1,0,1]=4 7368 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [1,0,0,1,0,0|1,0,1]=4 7369 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [1,0,0,1,0,0|1,0,1]=4 7370 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [1,0,0,1,0,0|1,0,1]=4 7371 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [1,0,0,1,0,0|1,0,1]=4 7372 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [1,0,0,1,0,0|1,0,1]=4 7373 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [1,0,0,1,0,0|1,0,1]=4 7374 B11R1.288 C=COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000036128 [1,0,0,1,0,0|2,0,0]=4 7375 B11R1.288 C=COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000036128 [1,0,0,1,0,0|2,0,0]=4 7376 B11R1.288 C=COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000036128 [1,0,0,1,0,0|2,0,0]=4 7377 B11R1.289 C=CCC(=O)NCC1CCC1 11a_100000738700_100000210193 [1,0,0,1,0,0|1,0,0]=3 7378 B11R1.289 C=CCC(=O)NCC1CCC1 1626a_100000738700_100000210193 [1,0,0,1,0,0|1,0,0]=3 7379 B11R1.289 C=CCC(=O)NCC1CCC1 240690a_100000738700_100000210193 [1,0,0,1,0,0|1,0,0]=3 7380 B11R1.289 C=CCC(=O)NCC1CCC1 527a_100000738700_100000210193 [1,0,0,1,0,0|1,0,0]=3 7381 B11R1.289 C=CCC(=O)NCC1COC1 11a_100015281925_100000210193 [1,0,0,1,0,0|2,0,0]=4 7382 B11R1.289 C=CCC(=O)NCC1COC1 1626a_100015281925_100000210193 [1,0,0,1,0,0|2,0,0]=4 7383 B11R1.289 C=CCC(=O)NCC1COC1 240690a_100015281925_100000210193 [1,0,0,1,0,0|2,0,0]=4 7384 B11R1.289 C=CCC(=O)NCC1COC1 527a_100015281925_100000210193 [1,0,0,1,0,0|2,0,0]=4 7385 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210193 [1,0,0,1,0,0|2,0,0]=4 7386 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210193 [1,0,0,1,0,0|2,0,0]=4 7387 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210193 [1,0,0,1,0,0|2,0,0]=4 7388 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210193 [1,0,0,1,0,0|2,0,0]=4 7389 B11R1.289 C=CCC(=O)NNC1CCC1 22a_100000736358_100000210193 [1,0,0,1,0,0|2,0,0]=4 7390 B11R1.289 C=COC(=O)CNC1CCC1 2230a_100000749019_100000036128 [1,0,0,1,0,0|1,0,0]=3 7391 B11R1.289 C=COC(=O)CNC1CCC1 34a_100000749019_100000036128 [1,0,0,1,0,0|1,0,0]=3 7392 B11R1.289 C=COC(=O)CNC1COC1 2230a_100016991112_100000036128 [1,0,0,1,0,0|2,0,0]=4 7393 B11R1.289 C=COC(=O)COC1CCC1 34a_100000748187_100000036128 [1,0,0,1,0,0|1,0,0]=3 7394 B11R1.289 C=COC(=O)CSC1CCC1 62a_100000036128_100000749161 [1,0,0,1,0,0|1,0,0]=3 7395 B11R1.289 C=COC(=O)CSC1COC1 62a_100000036128_100009818527 [1,0,0,1,0,0|2,0,0]=4 7396 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [1,0,0,1,0,0|1,0,1]=4 7397 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [1,0,0,1,0,0|1,0,1]=4 7398 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [1,0,0,1,0,0|1,0,1]=4 7399 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [1,0,0,1,0,0|1,0,1]=4 7400 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [1,0,0,1,0,0|1,0,1]=4 7401 B11R1.290 C=CCC(=O)CC#CC1CC1 1458a_100000210193_100009895102 [1,0,0,1,0,0|0,0,2]=4 7402 B11R1.290 C=CCC(=O)CCCC1CO1 1458a_100000210193_100000733510 [1,0,0,1,0,0|1,0,0]=3 7403 B11R1.290 C=CCC(=O)CSCC1CC1 1458a_200011316215_100000210623 [1,0,0,1,0,0|1,0,0]=3 7404 B11R1.290 C=CCC(=O)NCCC1CC1 1626a_100000764129_100000210193 [1,0,0,1,0,0|1,0,0]=3 7405 B11R1.290 C=CCC(=O)NCCC1CC1 240690a_100000764129_100000210193 [1,0,0,1,0,0|1,0,0]=3 7406 B11R1.290 C=CCC(=O)NCCC1CC1 527a_100000764129_100000210193 [1,0,0,1,0,0|1,0,0]=3 7407 B11R1.290 C=CCC(=O)NNCC1CC1 22a_100000736359_100000210193 [1,0,0,1,0,0|2,0,0]=4 7408 B11R1.290 C=COC(=O)CNCC1CC1 2230a_100000735609_100000036128 [1,0,0,1,0,0|1,0,0]=3 7409 B11R1.290 C=COC(=O)CNCC1CC1 34a_100000735609_100000036128 [1,0,0,1,0,0|1,0,0]=3 7410 B11R1.290 C=COC(=O)COCC1CC1 34a_100000211283_100000036128 [1,0,0,1,0,0|1,0,0]=3 7411 B11R1.290 C=COC(=O)COC[C@@H]1CO1 34a_100000757423_100000036128 [1,0,0,1,0,0|2,0,0]=4 7412 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000036128_100000742324 [1,0,0,1,0,0|1,0,0]=3 7413 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000756562_100000036128 [1,0,0,1,0,0|1,0,0]=3 7414 B11R1.290 C=COC(=O)CSCC1CO1 62a_100000036128_102125554688 [1,0,0,1,0,0|2,0,0]=4 7415 B11R1.290 C=COC(=O)CSCC1CO1 62a_102125554688_100000036128 [1,0,0,1,0,0|2,0,0]=4 7416 B11R1.290 C=COC(=O)CSCC1CS1 62a_100000031435_100000036128 [1,0,0,1,0,0|2,0,0]=4 7417 B11R1.290 C=COC(=O)CSCC1CS1 62a_100000036128_100000031435 [1,0,0,1,0,0|2,0,0]=4 7418 B11R1.290 C=COC(=O)CSC[C@@H]1CO1 62a_100000036128_100000745022 [1,0,0,1,0,0|2,0,0]=4 7419 B11R1.290 C=COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000036128 [1,0,0,1,0,0|2,0,0]=4 7420 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [1,0,0,1,0,0|1,0,1]=4 7421 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [1,0,0,1,0,0|1,0,1]=4 7422 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [1,0,0,1,0,0|1,0,1]=4 7423 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [1,0,0,1,0,0|1,0,1]=4 7424 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [1,0,0,1,0,0|1,0,1]=4 7425 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [1,0,0,1,0,0|1,0,1]=4 7426 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [1,0,0,1,0,0|1,0,1]=4 7427 B11R1.291 C=COC(=O)CN1CCC1C 269982a_100000755817_100000036128 [1,0,0,1,0,0|1,0,0]=3 7428 B11R1.291 C=COC(=O)CN1CCC1C 34a_100000755817_100000036128 [1,0,0,1,0,0|1,0,0]=3 7429 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [1,0,0,1,0,0|1,0,1]=4 7430 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [1,0,0,1,0,0|1,0,1]=4 7431 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [1,0,0,1,0,0|0,0,2]=4 7432 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [1,0,0,1,0,0|1,0,1]=4 7433 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 7434 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 7435 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 7436 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,0,1,0,0|1,0,1]=4 7437 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,0,1,0,0|1,0,1]=4 7438 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,0,1,0,0|1,0,1]=4 7439 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,0,1,0,0|0,0,1]=3 7440 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,0,1,0,0|0,0,1]=3 7441 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [1,0,0,1,0,0|1,0,1]=4 7442 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [1,0,0,1,0,0|1,0,1]=4 7443 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [1,0,0,1,0,0|1,0,1]=4 7444 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [1,0,0,1,0,0|1,0,1]=4 7445 B11R1.17 C=CCOC1CCNCC1C 34a_100011998114_100015514636 [1,0,0,1,0,0|1,0,1]=4 7446 B11R1.17 C=CCOC1CNCCC1C 34a_100000696640_100015514636 [1,0,0,1,0,0|1,0,1]=4 7447 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [1,0,0,1,0,0|1,0,1]=4 7448 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [1,0,0,1,0,0|1,0,1]=4 7449 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [1,0,0,1,0,0|1,0,1]=4 7450 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|1,0,1]=4 7451 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|1,0,1]=4 7452 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [1,0,0,1,0,0|2,0,0]=4 7453 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [1,0,0,1,0,0|2,0,0]=4 7454 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [1,0,0,1,0,0|2,0,0]=4 7455 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [1,0,0,1,0,0|1,0,1]=4 7456 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [1,0,0,1,0,0|2,0,0]=4 7457 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [1,0,0,1,0,0|2,0,0]=4 7458 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [1,0,0,1,0,0|2,0,0]=4 7459 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [1,0,0,1,0,0|2,0,0]=4 7460 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [1,0,0,1,0,0|2,0,0]=4 7461 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [1,0,0,1,0,0|2,0,0]=4 7462 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [1,0,0,1,0,0|2,0,0]=4 7463 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [1,0,0,1,0,0|2,0,0]=4 7464 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [1,0,0,1,0,0|1,0,1]=4 7465 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [1,0,0,1,0,0|1,0,1]=4 7466 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [1,0,0,1,0,0|1,0,1]=4 7467 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [1,0,0,1,0,0|0,0,1]=3 7468 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [1,0,0,1,0,0|0,0,1]=3 7469 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [1,0,0,1,0,0|0,0,1]=3 7470 B11R1.28 C=CCOCC1CCCCN1 34a_100000210821_100015514636 [1,0,0,1,0,0|1,0,1]=4 7471 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [1,0,0,1,0,0|1,0,1]=4 7472 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [1,0,0,1,0,0|1,0,1]=4 7473 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [1,0,0,1,0,0|1,0,1]=4 7474 B11R1.28 C=CCOCC1CCCNC1 34a_100000211344_100015514636 [1,0,0,1,0,0|1,0,1]=4 7475 B11R1.28 C=CCOCC1CCCOC1 34a_100000741520_100015514636 [1,0,0,1,0,0|1,0,1]=4 7476 B11R1.28 C=CCOCC1CCCOC1 34a_200000210373_100000741521 [1,0,0,1,0,0|1,0,1]=4 7477 B11R1.28 C=CCOCC1CCNCC1 34a_100000738675_100015514636 [1,0,0,1,0,0|1,0,1]=4 7478 B11R1.28 C=CCOCC1CCOCC1 34a_100000749013_100015514636 [1,0,0,1,0,0|1,0,1]=4 7479 B11R1.28 C=CCOCC1CCOCC1 34a_200000210373_100000754603 [1,0,0,1,0,0|1,0,1]=4 7480 B11R1.28 C=CCOCC1CCSCC1 34a_100000070558_100015514636 [1,0,0,1,0,0|1,0,1]=4 7481 B11R1.28 C=CCOCC1CCSCC1 7a_100000070558_100015514636 [1,0,0,1,0,0|1,0,1]=4 7482 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [1,0,0,1,0,0|0,1,1]=4 7483 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [1,0,0,1,0,0|0,1,1]=4 7484 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|1,0,1]=4 7485 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|1,0,1]=4 7486 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 7487 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 7488 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [1,0,0,1,0,0|1,0,1]=4 7489 B11R1.47 C=CCOCCOC1CCC1 34a_100000037705_100000749161 [1,0,0,1,0,0|1,0,1]=4 7490 B11R1.99 C=CCOCCOCC1CC1 34a_100000037705_100000742324 [1,0,0,1,0,0|1,0,1]=4 7491 B11R1.99 C=CCOCCOCC1CC1 7a_100000037705_100000742324 [1,0,0,1,0,0|1,0,1]=4 7492 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 7493 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 7494 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 7495 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,1,0,0|1,0,1]=4 7496 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,1,0,0|1,0,1]=4 7497 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,1,0,0|1,0,1]=4 7498 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,1,0,0|0,0,1]=3 7499 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,1,0,0|0,0,1]=3 7500 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,1,0,0|0,0,1]=3 7501 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,1,0,0|0,1,1]=4 7502 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,1,0,0|0,1,1]=4 7503 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|1,0,1]=4 7504 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|1,0,1]=4 7505 B11R1.29 C=CC=CC(=O)C1CCCC1 1458a_100016291481_100000179811 [1,0,0,1,0,0|1,0,1]=4 7506 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [1,0,0,1,0,0|1,0,0]=3 7507 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [1,0,0,1,0,0|1,0,0]=3 7508 B11R1.29 C=CCCC(=O)C1CCCS1 1458a_100012002731_100000754431 [1,0,0,1,0,0|2,0,0]=4 7509 B11R1.29 C=CCCC(=O)C1CCOC1 1458a_100000749702_100000690089 [1,0,0,1,0,0|2,0,0]=4 7510 B11R1.29 C=CCCC(=O)C1CCOC1 1458a_100011219752_100000754431 [1,0,0,1,0,0|2,0,0]=4 7511 B11R1.29 C=CCCC(=O)N1CCCC1 240690a_100000188435_100000749702 [1,0,0,1,0,0|2,0,0]=4 7512 B11R1.29 C=CCCC(=O)N1CCCC1 527a_100000188435_100000749702 [1,0,0,1,0,0|2,0,0]=4 7513 B11R1.29 C=CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000754431 [1,0,0,1,0,0|2,0,0]=4 7514 B11R1.29 C=CCNC(=O)C1CCCC1 1626a_100020586998_100000210718 [1,0,0,1,0,0|1,0,0]=3 7515 B11R1.29 C=CCNC(=O)C1CCCC1 240690a_100020586998_100000210718 [1,0,0,1,0,0|1,0,0]=3 7516 B11R1.29 C=CCNC(=O)C1CCCC1 527a_100020586998_100000210718 [1,0,0,1,0,0|1,0,0]=3 7517 B11R1.29 C=CCNC(=O)C1CCCS1 1626a_100020586998_100012002731 [1,0,0,1,0,0|2,0,0]=4 7518 B11R1.29 C=CCNC(=O)C1CCCS1 240690a_100020586998_100012002731 [1,0,0,1,0,0|2,0,0]=4 7519 B11R1.29 C=CCNC(=O)C1CCCS1 527a_100020586998_100012002731 [1,0,0,1,0,0|2,0,0]=4 7520 B11R1.29 C=CCNC(=O)C1CCOC1 1626a_100020586998_100011219752 [1,0,0,1,0,0|2,0,0]=4 7521 B11R1.29 C=CCNC(=O)C1CCOC1 240690a_100020586998_100011219752 [1,0,0,1,0,0|2,0,0]=4 7522 B11R1.29 C=CCNC(=O)C1CCOC1 527a_100020586998_100011219752 [1,0,0,1,0,0|2,0,0]=4 7523 B11R1.29 C=CCNC(=O)N1CCCC1 273464a_100020586998_100000188435 [1,0,0,1,0,0|2,0,0]=4 7524 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 1626a_100020586998_100000686382 [1,0,0,1,0,0|2,0,0]=4 7525 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 240690a_100020586998_100000686382 [1,0,0,1,0,0|2,0,0]=4 7526 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 527a_100020586998_100000686382 [1,0,0,1,0,0|2,0,0]=4 7527 B11R1.29 C=CCOC(C)C1CCCC1 34a_100011216366_100015514636 [1,0,0,1,0,0|1,0,1]=4 7528 B11R1.29 C=CCOC(C)C1CCCC1 7a_100011216366_100015514636 [1,0,0,1,0,0|1,0,1]=4 7529 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [1,0,0,1,0,0|1,0,0]=3 7530 B11R1.282 C=CCNC(=O)C1CC1CC 1626a_100020586998_200011661523 [1,0,0,1,0,0|1,0,0]=3 7531 B11R1.282 C=CCNC(=O)C1CC1CC 240690a_100020586998_200011661523 [1,0,0,1,0,0|1,0,0]=3 7532 B11R1.282 C=CCNC(=O)C1CC1CC 527a_100020586998_200011661523 [1,0,0,1,0,0|1,0,0]=3 7533 B11R1.284 C=CC=CC(=O)CC1CCC1 1458a_100016291481_100000763275 [1,0,0,1,0,0|1,0,1]=4 7534 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [1,0,0,1,0,0|1,0,0]=3 7535 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [1,0,0,1,0,0|1,0,0]=3 7536 B11R1.284 C=CCCC(=O)CC1CCO1 1458a_100000749702_100000103362 [1,0,0,1,0,0|2,0,0]=4 7537 B11R1.284 C=CCCC(=O)CC1COC1 1458a_100000687760_100000754431 [1,0,0,1,0,0|2,0,0]=4 7538 B11R1.284 C=CCCC(=O)CC1COC1 1458a_100000749702_100010264016 [1,0,0,1,0,0|2,0,0]=4 7539 B11R1.284 C=CCCC(=O)NC1CCC1 11a_100000749019_100000749702 [1,0,0,1,0,0|2,0,0]=4 7540 B11R1.284 C=CCCC(=O)NC1CCC1 1626a_100000749019_100000749702 [1,0,0,1,0,0|2,0,0]=4 7541 B11R1.284 C=CCCC(=O)NC1CCC1 240690a_100000749019_100000749702 [1,0,0,1,0,0|2,0,0]=4 7542 B11R1.284 C=CCCC(=O)NC1CCC1 527a_100000749019_100000749702 [1,0,0,1,0,0|2,0,0]=4 7543 B11R1.284 C=CCNC(=O)CC1CCC1 1626a_100020586998_100000763092 [1,0,0,1,0,0|1,0,0]=3 7544 B11R1.284 C=CCNC(=O)CC1CCC1 240690a_100020586998_100000763092 [1,0,0,1,0,0|1,0,0]=3 7545 B11R1.284 C=CCNC(=O)CC1CCC1 527a_100020586998_100000763092 [1,0,0,1,0,0|1,0,0]=3 7546 B11R1.284 C=CCNC(=O)CC1COC1 1626a_100020586998_100000687760 [1,0,0,1,0,0|2,0,0]=4 7547 B11R1.284 C=CCNC(=O)CN1CCC1 269982a_100000754969_100000183597 [1,0,0,1,0,0|2,0,0]=4 7548 B11R1.284 C=CCNC(=O)NC1CCC1 273464a_100000749019_100020586998 [1,0,0,1,0,0|2,0,0]=4 7549 B11R1.284 C=CCNC(=O)NC1CCC1 273464a_100020586998_100000749019 [1,0,0,1,0,0|2,0,0]=4 7550 B11R1.284 C=CCNC(=O)NC1CCC1 512a_100000749019_100020586998 [1,0,0,1,0,0|2,0,0]=4 7551 B11R1.284 C=CCNC(=O)NC1CCC1 512a_100020586998_100000749019 [1,0,0,1,0,0|2,0,0]=4 7552 B11R1.284 C=CCOC(=O)CN1CCC1 269982a_100000754969_100000033060 [1,0,0,1,0,0|1,0,0]=3 7553 B11R1.285 C=CC=CC(=O)CCC1CC1 1458a_100016291481_100000694398 [1,0,0,1,0,0|1,0,1]=4 7554 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000749702_100000694398 [1,0,0,1,0,0|1,0,0]=3 7555 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000756386_100000754431 [1,0,0,1,0,0|1,0,0]=3 7556 B11R1.285 C=CCCC(=O)CCC1CO1 1458a_100000749702_100000732470 [1,0,0,1,0,0|2,0,0]=4 7557 B11R1.285 C=CCCC(=O)NCC1CC1 11a_100000735609_100000749702 [1,0,0,1,0,0|2,0,0]=4 7558 B11R1.285 C=CCCC(=O)NCC1CC1 1626a_100000735609_100000749702 [1,0,0,1,0,0|2,0,0]=4 7559 B11R1.285 C=CCCC(=O)NCC1CC1 240690a_100000735609_100000749702 [1,0,0,1,0,0|2,0,0]=4 7560 B11R1.285 C=CCCC(=O)NCC1CC1 527a_100000735609_100000749702 [1,0,0,1,0,0|2,0,0]=4 7561 B11R1.285 C=CCNC(=O)CCC1CC1 1626a_100020586998_100000756386 [1,0,0,1,0,0|1,0,0]=3 7562 B11R1.285 C=CCNC(=O)CCC1CC1 240690a_100020586998_100000756386 [1,0,0,1,0,0|1,0,0]=3 7563 B11R1.285 C=CCNC(=O)CCC1CC1 527a_100020586998_100000756386 [1,0,0,1,0,0|1,0,0]=3 7564 B11R1.285 C=CCNC(=O)CSC1CC1 62a_100000183597_100000211595 [1,0,0,1,0,0|2,0,0]=4 7565 B11R1.285 C=CCNC(=O)NCC1CC1 2708a_100000735609_100020586998 [1,0,0,1,0,0|2,0,0]=4 7566 B11R1.285 C=CCNC(=O)NCC1CC1 273464a_100000735609_100020586998 [1,0,0,1,0,0|2,0,0]=4 7567 B11R1.285 C=CCNC(=O)NCC1CC1 273464a_100020586998_100000735609 [1,0,0,1,0,0|2,0,0]=4 7568 B11R1.285 C=CCNC(=O)NCC1CC1 512a_100000735609_100020586998 [1,0,0,1,0,0|2,0,0]=4 7569 B11R1.285 C=CCNC(=O)NCC1CC1 512a_100020586998_100000735609 [1,0,0,1,0,0|2,0,0]=4 7570 B11R1.285 C=CCOC(=O)CNC1CC1 34a_100000212008_100000033060 [1,0,0,1,0,0|1,0,0]=3 7571 B11R1.285 C=CCOC(=O)CSC1CC1 62a_100000033060_100000211595 [1,0,0,1,0,0|1,0,0]=3 7572 B11R1.286 C=CCCC(=O)N1CCC1C 11a_100000755817_100000749702 [1,0,0,1,0,0|2,0,0]=4 7573 B11R1.286 C=CCCC(=O)N1CCC1C 240690a_100000755817_100000749702 [1,0,0,1,0,0|2,0,0]=4 7574 B11R1.286 C=CCCC(=O)N1CCC1C 527a_100000755817_100000749702 [1,0,0,1,0,0|2,0,0]=4 7575 B11R1.286 C=CCNC(=O)N1CCC1C 273464a_100020586998_100000755817 [1,0,0,1,0,0|2,0,0]=4 7576 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [1,0,0,1,0,0|2,0,0]=4 7577 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [1,0,0,1,0,0|2,0,0]=4 7578 B11R1.900 C=CCOC1(CCCCC1)C 34a_100011215885_100015514636 [1,0,0,1,0,0|1,0,1]=4 7579 B11R1.900 C=CCOC1(CCCCC1)C 7a_100011215885_100015514636 [1,0,0,1,0,0|1,0,1]=4 7580 B13R1.24 C#CCOCC(=O)C1CCCCC1 1458a_100011251226_100000210327 [0,1,0,1,0,0|0,0,2]=4 7581 B13R1.24 C#CCOCC(=O)C1CCCCC1 34a_100000210247_100000241979 [0,1,0,1,0,0|0,0,2]=4 7582 B13R1.24 C/C=C/C=CC(=O)C1CCCCC1 1458a_100000185730_100000210327 [0,1,0,1,0,0|1,0,1]=4 7583 B13R1.24 C/C=C/COC(C)C1CCCCC1 34a_100011216961_100102629194 [0,1,0,1,0,0|1,0,1]=4 7584 B13R1.24 C/C=C/COC(C)C1CCCCC1 7a_100011216961_100102629194 [0,1,0,1,0,0|1,0,1]=4 7585 B13R1.24 C=CCCCC(=O)C1CCCCC1 1458a_100000210647_100000757094 [0,1,0,1,0,0|1,0,0]=3 7586 B13R1.24 C=CCCCC(=O)C1CCCCC1 1458a_100000766728_100000210327 [0,1,0,1,0,0|1,0,0]=3 7587 B13R1.24 C=CCCCC(=O)C1CCCCO1 1458a_100000748299_100000757094 [0,1,0,1,0,0|2,0,0]=4 7588 B13R1.24 C=CCCCC(=O)C1CCCOC1 1458a_100000741522_100000757094 [0,1,0,1,0,0|2,0,0]=4 7589 B13R1.24 C=CCCCC(=O)C1CCCOC1 1458a_100000766728_100000693364 [0,1,0,1,0,0|2,0,0]=4 7590 B13R1.24 C=CCCCC(=O)C1CCOCC1 1458a_100000195482_100000757094 [0,1,0,1,0,0|2,0,0]=4 7591 B13R1.24 C=CCCCC(=O)C1CCOCC1 1458a_100000766728_100011324220 [0,1,0,1,0,0|2,0,0]=4 7592 B13R1.24 C=CCCCC(=O)C1CCSCC1 1458a_100000755232_100000757094 [0,1,0,1,0,0|2,0,0]=4 7593 B13R1.24 C=CCCNC(=O)C1CCCCC1 11a_100015191253_100000210647 [0,1,0,1,0,0|1,0,0]=3 7594 B13R1.24 C=CCCNC(=O)C1CCCCC1 1626a_100015191253_100000210647 [0,1,0,1,0,0|1,0,0]=3 7595 B13R1.24 C=CCCNC(=O)C1CCCCC1 240690a_100015191253_100000210647 [0,1,0,1,0,0|1,0,0]=3 7596 B13R1.24 C=CCCNC(=O)C1CCCCC1 527a_100015191253_100000210647 [0,1,0,1,0,0|1,0,0]=3 7597 B13R1.24 C=CCCNC(=O)C1CCCCO1 11a_100015191253_100000748299 [0,1,0,1,0,0|2,0,0]=4 7598 B13R1.24 C=CCCNC(=O)C1CCCCO1 1626a_100015191253_100000748299 [0,1,0,1,0,0|2,0,0]=4 7599 B13R1.24 C=CCCNC(=O)C1CCCCO1 240690a_100015191253_100000748299 [0,1,0,1,0,0|2,0,0]=4 7600 B13R1.24 C=CCCNC(=O)C1CCCCO1 527a_100015191253_100000748299 [0,1,0,1,0,0|2,0,0]=4 7601 B13R1.24 C=CCCNC(=O)C1CCCOC1 11a_100015191253_100000741522 [0,1,0,1,0,0|2,0,0]=4 7602 B13R1.24 C=CCCNC(=O)C1CCCOC1 1626a_100015191253_100000741522 [0,1,0,1,0,0|2,0,0]=4 7603 B13R1.24 C=CCCNC(=O)C1CCCOC1 240690a_100015191253_100000741522 [0,1,0,1,0,0|2,0,0]=4 7604 B13R1.24 C=CCCNC(=O)C1CCCOC1 527a_100015191253_100000741522 [0,1,0,1,0,0|2,0,0]=4 7605 B13R1.24 C=CCCNC(=O)C1CCOCC1 11a_100015191253_100000195482 [0,1,0,1,0,0|2,0,0]=4 7606 B13R1.24 C=CCCNC(=O)C1CCOCC1 1626a_100015191253_100000195482 [0,1,0,1,0,0|2,0,0]=4 7607 B13R1.24 C=CCCNC(=O)C1CCOCC1 240690a_100015191253_100000195482 [0,1,0,1,0,0|2,0,0]=4 7608 B13R1.24 C=CCCNC(=O)C1CCOCC1 527a_100015191253_100000195482 [0,1,0,1,0,0|2,0,0]=4 7609 B13R1.24 C=CCCNC(=O)C1CCSCC1 11a_100015191253_100000755232 [0,1,0,1,0,0|2,0,0]=4 7610 B13R1.24 C=CCCNC(=O)C1CCSCC1 1626a_100015191253_100000755232 [0,1,0,1,0,0|2,0,0]=4 7611 B13R1.24 C=CCCNC(=O)C1CCSCC1 240690a_100015191253_100000755232 [0,1,0,1,0,0|2,0,0]=4 7612 B13R1.24 C=CCCNC(=O)C1CCSCC1 527a_100015191253_100000755232 [0,1,0,1,0,0|2,0,0]=4 7613 B13R1.24 C=CCCOC(C)C1CCCCC1 34a_100011216961_100000754431 [0,1,0,1,0,0|1,0,1]=4 7614 B13R1.24 C=CCCOC(C)C1CCCCC1 7a_100011216961_100000754431 [0,1,0,1,0,0|1,0,1]=4 7615 B13R1.24 C=CCNCC(=O)C1CCCCC1 2230a_100020586998_100000241979 [0,1,0,1,0,0|1,0,0]=3 7616 B13R1.24 C=CCNCC(=O)C1CCOCC1 2230a_100020586998_100000689883 [0,1,0,1,0,0|2,0,0]=4 7617 B13R1.24 C=CCNCC(=O)N1CCCCC1 2230a_100000751303_100000210623 [0,1,0,1,0,0|2,0,0]=4 7618 B13R1.24 C=CCNCC(=O)N1CCCCC1 2230a_100020586998_100000183409 [0,1,0,1,0,0|2,0,0]=4 7619 B13R1.24 C=CCNNC(=O)C1CCCCC1 22a_100020588587_100000210647 [0,1,0,1,0,0|1,0,0]=3 7620 B13R1.24 C=CCNNC(=O)C1CCCCO1 22a_100020588587_100000748299 [0,1,0,1,0,0|2,0,0]=4 7621 B13R1.24 C=CCNNC(=O)C1CCCOC1 22a_100020588587_100000741522 [0,1,0,1,0,0|2,0,0]=4 7622 B13R1.24 C=CCNNC(=O)C1CCOCC1 22a_100020588587_100000195482 [0,1,0,1,0,0|2,0,0]=4 7623 B13R1.24 C=CCNNC(=O)C1CCSCC1 22a_100020588587_100000755232 [0,1,0,1,0,0|2,0,0]=4 7624 B13R1.24 C=CCOCC(=O)C1CCCCC1 34a_200000210373_100000241979 [0,1,0,1,0,0|0,0,0]=2 7625 B13R1.24 C=CCOCC(=O)C1CCOCC1 34a_200000210373_100000689883 [0,1,0,1,0,0|1,0,0]=3 7626 B13R1.24 C=CCOCC(=O)N1CCCCC1 34a_200000210373_100000183409 [0,1,0,1,0,0|1,0,0]=3 7627 B13R1.24 C=CCOCC(=O)N1CCCCC1 7a_100011315646_100015514636 [0,1,0,1,0,0|1,0,0]=3 7628 B13R1.24 C=CCOCC(=O)N1CCOCC1 34a_200000210373_100000183410 [0,1,0,1,0,0|2,0,0]=4 7629 B13R1.24 C=CCOCC(=O)N1CCOCC1 7a_100000752472_100015514636 [0,1,0,1,0,0|2,0,0]=4 7630 B13R1.24 C=CCOC[C@H](N)C1CCCCC1 34a_100009817630_100015514636 [0,1,0,1,0,0|1,0,1]=4 7631 B13R1.24 C=CCSCC(=O)C1CCCCC1 1458a_100000230395_100000210327 [0,1,0,1,0,0|0,1,0]=3 7632 B13R1.24 C=CCSCC(=O)C1CCCCC1 62a_100000210623_100000241979 [0,1,0,1,0,0|0,1,0]=3 7633 B13R1.24 C=CCSCC(=O)C1CCCCC1 62a_100000241979_100000210623 [0,1,0,1,0,0|0,1,0]=3 7634 B13R1.24 C=CCSCC(=O)C1CCCOC1 1458a_100000230395_100000693364 [0,1,0,1,0,0|1,1,0]=4 7635 B13R1.24 C=CCSCC(=O)C1CCOCC1 1458a_100000230395_100011324220 [0,1,0,1,0,0|1,1,0]=4 7636 B13R1.24 C=CCSCC(=O)C1CCOCC1 62a_100000210623_100000689883 [0,1,0,1,0,0|1,1,0]=4 7637 B13R1.24 C=CCSCC(=O)C1CCOCC1 62a_100000689883_100000210623 [0,1,0,1,0,0|1,1,0]=4 7638 B13R1.24 C=CCSCC(=O)N1CCCCC1 62a_100000183409_100000210623 [0,1,0,1,0,0|1,1,0]=4 7639 B13R1.24 C=CCSCC(=O)N1CCCCC1 62a_100000210623_100000183409 [0,1,0,1,0,0|1,1,0]=4 7640 B13R1.24 C=COCCC(=O)C1CCCCC1 1458a_100000210647_100000039644 [0,1,0,1,0,0|1,0,0]=3 7641 B13R1.24 C=COCCC(=O)C1CCCCO1 1458a_100000748299_100000039644 [0,1,0,1,0,0|2,0,0]=4 7642 B13R1.24 C=COCCC(=O)C1CCCOC1 1458a_100000741522_100000039644 [0,1,0,1,0,0|2,0,0]=4 7643 B13R1.24 C=COCCC(=O)C1CCOCC1 1458a_100000195482_100000039644 [0,1,0,1,0,0|2,0,0]=4 7644 B13R1.24 C=COCCC(=O)C1CCSCC1 1458a_100000755232_100000039644 [0,1,0,1,0,0|2,0,0]=4 7645 B13R1.24 CC=CCOC(C)C1CCCCC1 34a_100011216961_100000070051 [0,1,0,1,0,0|1,0,1]=4 7646 B13R1.24 CC=CCOC(C)C1CCCCC1 7a_100011216961_100000070051 [0,1,0,1,0,0|1,0,1]=4 7647 B13R1.24 CCCOCC(=O)C1CCCCC1 1458a_100000745993_100000210327 [0,1,0,1,0,0|0,0,2]=4 7648 B13R1.24 CCCOCC(=O)C1CCCCC1 34a_100000210258_100000241979 [0,1,0,1,0,0|0,0,2]=4 7649 B13R1.24 CCNCOC(=O)C1CCCCC1 2230a_100015525214_100009893799 [0,1,0,1,0,0|0,0,2]=4 7650 B13R1.24 CCOCOC(=O)C1CCCCC1 34a_100121572206_100009893799 [0,1,0,1,0,0|0,0,2]=4 7651 B13R1.24 CCSCOC(=O)C1CCCCC1 62a_100000210202_100009893799 [0,1,0,1,0,0|0,0,2]=4 7652 B13R1.24 CCSCOC(=O)C1CCCCC1 62a_100009893799_100000210202 [0,1,0,1,0,0|0,0,2]=4 7653 B13R1.24 NCCOCC(=O)C1CCCCC1 34a_100000210304_100000241979 [0,1,0,1,0,0|1,0,1]=4 7654 B13R1.24 O=C(COCCBr)C1CCCCC1 34a_100000211926_100000241979 [0,1,0,1,0,0|1,0,1]=4 7655 B13R1.24 O=C(COCCO)C1CCCCC1 1458a_100000708028_100000210327 [0,1,0,1,0,0|1,0,1]=4 7656 B13R1.24 O=C(OCSCF)C1CCCCC1 62a_100009893799_100015361967 [0,1,0,1,0,0|1,0,1]=4 7657 B13R1.24 O=C(OCSCF)C1CCCCC1 62a_100015361967_100009893799 [0,1,0,1,0,0|1,0,1]=4 7658 B13R1.24 O=CCOCC(=O)N1CCCCC1 7a_100011315646_200015260668 [0,1,0,1,0,0|2,0,0]=4 7659 B13R1.24 O=CCSCC(=O)C1CCCCC1 62a_100000241979_200015260668 [0,1,0,1,0,0|1,1,0]=4 7660 B13R1.24 O=CCSCC(=O)C1CCCCC1 62a_200015260668_100000241979 [0,1,0,1,0,0|1,1,0]=4 7661 B13R1.48 CCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210757 [0,1,0,1,0,0|1,0,1]=4 7662 B13R1.48 CCCCCCC(=O)C1=CCOC1 1458a_100000139269_100000210757 [0,1,0,1,0,0|1,0,1]=4 7663 B13R1.48 CCCCCCC(=O)C1=COCC1 1458a_100000750620_100000210757 [0,1,0,1,0,0|1,0,1]=4 7664 B13R1.48 CCCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210757 [0,1,0,1,0,0|1,0,0]=3 7665 B13R1.48 CCCCCCC(=O)N1CC=CC1 1626a_100015195280_100102632555 [0,1,0,1,0,0|1,0,0]=3 7666 B13R1.48 CCCCCCC(=O)N1CC=CC1 240690a_100015195280_100102632555 [0,1,0,1,0,0|1,0,0]=3 7667 B13R1.48 CCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210757 [0,1,0,1,0,0|0,0,2]=4 7668 B13R1.48 CCCCCNC(=O)C1CC=CC1 11a_100000209983_100000759439 [0,1,0,1,0,0|2,0,0]=4 7669 B13R1.48 CCCCCNC(=O)C1CC=CC1 1626a_100000209983_100000759439 [0,1,0,1,0,0|2,0,0]=4 7670 B13R1.48 CCCCCNC(=O)C1CC=CC1 240690a_100000209983_100000759439 [0,1,0,1,0,0|2,0,0]=4 7671 B13R1.48 CCCCCNC(=O)C1CC=CC1 527a_100000209983_100000759439 [0,1,0,1,0,0|2,0,0]=4 7672 B13R1.48 CCCCCNC(=O)N1CC=CC1 2708a_100000209983_100015195280 [0,1,0,1,0,0|2,0,0]=4 7673 B13R1.48 CCCCCNC(=O)N1CC=CC1 273464a_100000209983_100015195280 [0,1,0,1,0,0|2,0,0]=4 7674 B13R1.48 CCCCNCC(=O)c1ccco1 7a_106832991798_100000211439 [0,1,0,1,0,0|1,0,1]=4 7675 B13R1.48 CCCCOCC(=O)C1CC=CC1 1458a_100000759439_100011995733 [0,1,0,1,0,0|2,0,0]=4 7676 B13R1.48 CCCCOCC(=O)N1CC=CC1 1626a_100015195280_100000757543 [0,1,0,1,0,0|2,0,0]=4 7677 B13R1.48 CCCCOCC(=O)N1CC=CC1 240690a_100015195280_100000757543 [0,1,0,1,0,0|2,0,0]=4 7678 B13R1.48 CCCCOCC(=O)c1ccco1 7a_100000210227_100000211439 [0,1,0,1,0,0|1,0,1]=4 7679 B13R1.48 CCCCSCC(=O)N1CC=CC1 1626a_100015195280_100000191162 [0,1,0,1,0,0|2,0,0]=4 7680 B13R1.48 CCCCSCC(=O)N1CC=CC1 240690a_100015195280_100000191162 [0,1,0,1,0,0|2,0,0]=4 7681 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000210211_100000211439 [0,1,0,1,0,0|1,0,1]=4 7682 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000211439_100000210210 [0,1,0,1,0,0|1,0,1]=4 7683 B13R1.48 CCCOCCC(=O)C1CC=CC1 1458a_100000759439_100011215938 [0,1,0,1,0,0|2,0,0]=4 7684 B13R1.48 CCOCCCC(=O)C1CC=CC1 1458a_100000759439_100012232248 [0,1,0,1,0,0|2,0,0]=4 7685 B13R1.48 COCCCCC(=O)C1CC=CC1 1458a_100000759439_100000755781 [0,1,0,1,0,0|2,0,0]=4 7686 B13R1.48 O=C(CCCCCF)C1CC=CC1 1458a_100000759439_100000729378 [0,1,0,1,0,0|2,0,0]=4 7687 B13R1.48 O=C(CCCCCO)C1CC=CC1 1458a_100000759439_100000746330 [0,1,0,1,0,0|2,0,0]=4 7688 B13R1.48 O=C(CCCCCO)N1CC=CC1 240690a_100015195280_100102619762 [0,1,0,1,0,0|2,0,0]=4 7689 B13R1.156 C#CCOCC(=O)CC1CCCC1 1458a_100011251226_100000740388 [0,1,0,1,0,0|0,0,2]=4 7690 B13R1.156 C/C=C/C=CC(=O)CC1CCCC1 1458a_100000185730_100000740388 [0,1,0,1,0,0|1,0,1]=4 7691 B13R1.156 C=CCCCC(=O)CC1CCCC1 1458a_100000210891_100000757094 [0,1,0,1,0,0|1,0,0]=3 7692 B13R1.156 C=CCCCC(=O)CC1CCCC1 1458a_100000766728_100000740388 [0,1,0,1,0,0|1,0,0]=3 7693 B13R1.156 C=CCCCC(=O)CC1CCCO1 1458a_100000766728_100000203698 [0,1,0,1,0,0|2,0,0]=4 7694 B13R1.156 C=CCCCC(=O)CC1CCOC1 1458a_100000766728_100000702531 [0,1,0,1,0,0|2,0,0]=4 7695 B13R1.156 C=CCCCC(=O)CC1CCOC1 1458a_100011218419_100000757094 [0,1,0,1,0,0|2,0,0]=4 7696 B13R1.156 C=CCCCC(=O)CN1CCCC1 1458a_100000740243_100000757094 [0,1,0,1,0,0|2,0,0]=4 7697 B13R1.156 C=CCCCC(=O)NC1CCCC1 11a_100000211070_100000766728 [0,1,0,1,0,0|2,0,0]=4 7698 B13R1.156 C=CCCCC(=O)NC1CCCC1 1626a_100000211070_100000766728 [0,1,0,1,0,0|2,0,0]=4 7699 B13R1.156 C=CCCCC(=O)NC1CCCC1 240690a_100000211070_100000766728 [0,1,0,1,0,0|2,0,0]=4 7700 B13R1.156 C=CCCCC(=O)NC1CCCC1 527a_100000211070_100000766728 [0,1,0,1,0,0|2,0,0]=4 7701 B13R1.156 C=CCCNC(=O)CC1CCCC1 11a_100015191253_100000210891 [0,1,0,1,0,0|1,0,0]=3 7702 B13R1.156 C=CCCNC(=O)CC1CCCC1 1626a_100015191253_100000210891 [0,1,0,1,0,0|1,0,0]=3 7703 B13R1.156 C=CCCNC(=O)CC1CCCC1 240690a_100015191253_100000210891 [0,1,0,1,0,0|1,0,0]=3 7704 B13R1.156 C=CCCNC(=O)CC1CCCC1 527a_100015191253_100000210891 [0,1,0,1,0,0|1,0,0]=3 7705 B13R1.156 C=CCCNC(=O)CC1CCOC1 11a_100015191253_100011218419 [0,1,0,1,0,0|2,0,0]=4 7706 B13R1.156 C=CCCNC(=O)CC1CCOC1 1626a_100015191253_100011218419 [0,1,0,1,0,0|2,0,0]=4 7707 B13R1.156 C=CCCNC(=O)CC1CCOC1 240690a_100015191253_100011218419 [0,1,0,1,0,0|2,0,0]=4 7708 B13R1.156 C=CCCNC(=O)CC1CCOC1 527a_100015191253_100011218419 [0,1,0,1,0,0|2,0,0]=4 7709 B13R1.156 C=CCCNC(=O)CN1CCCC1 240690a_100015191253_100000740243 [0,1,0,1,0,0|2,0,0]=4 7710 B13R1.156 C=CCCNC(=O)CN1CCCC1 527a_100015191253_100000740243 [0,1,0,1,0,0|2,0,0]=4 7711 B13R1.156 C=CCCNC(=O)NC1CCCC1 2708a_100000211070_100015191253 [0,1,0,1,0,0|2,0,0]=4 7712 B13R1.156 C=CCCNC(=O)NC1CCCC1 2708a_100015191253_100000211070 [0,1,0,1,0,0|2,0,0]=4 7713 B13R1.156 C=CCCNC(=O)NC1CCCC1 273464a_100000211070_100015191253 [0,1,0,1,0,0|2,0,0]=4 7714 B13R1.156 C=CCCNC(=O)NC1CCCC1 273464a_100015191253_100000211070 [0,1,0,1,0,0|2,0,0]=4 7715 B13R1.156 C=CCCNC(=O)NC1CCCC1 512a_100000211070_100015191253 [0,1,0,1,0,0|2,0,0]=4 7716 B13R1.156 C=CCCNC(=O)NC1CCCC1 512a_100015191253_100000211070 [0,1,0,1,0,0|2,0,0]=4 7717 B13R1.156 C=CCNCC(=O)NC1CCCC1 2230a_100000747513_100000210623 [0,1,0,1,0,0|2,0,0]=4 7718 B13R1.156 C=CCNCC(=O)NC1CCCC1 2230a_100020586998_100000183512 [0,1,0,1,0,0|2,0,0]=4 7719 B13R1.156 C=CCNNC(=O)CC1CCCC1 22a_100020588587_100000210891 [0,1,0,1,0,0|1,0,0]=3 7720 B13R1.156 C=CCNNC(=O)CC1CCOC1 22a_100020588587_100011218419 [0,1,0,1,0,0|2,0,0]=4 7721 B13R1.156 C=CCNNC(=O)CN1CCCC1 22a_100020588587_100000740243 [0,1,0,1,0,0|2,0,0]=4 7722 B13R1.156 C=CCNNC(=O)NC1CCCC1 273464a_100000211070_100020588587 [0,1,0,1,0,0|2,0,0]=4 7723 B13R1.156 C=CCNNC(=O)NC1CCCC1 512a_100000211070_100020588587 [0,1,0,1,0,0|2,0,0]=4 7724 B13R1.156 C=CCNNC(=O)NC1CCCC1 512a_100020588587_100000211070 [0,1,0,1,0,0|2,0,0]=4 7725 B13R1.156 C=CCOCC(=O)NC1CCCC1 34a_200000210373_100000183512 [0,1,0,1,0,0|1,0,0]=3 7726 B13R1.156 C=CCSCC(=O)CC1CCCC1 1458a_100000230395_100000740388 [0,1,0,1,0,0|0,1,0]=3 7727 B13R1.156 C=CCSCC(=O)CC1CCCO1 1458a_100000230395_100000203698 [0,1,0,1,0,0|1,1,0]=4 7728 B13R1.156 C=CCSCC(=O)CC1CCOC1 1458a_100000230395_100000702531 [0,1,0,1,0,0|1,1,0]=4 7729 B13R1.156 C=CCSCC(=O)NC1CCCC1 11a_100000211070_100000230395 [0,1,0,1,0,0|1,1,0]=4 7730 B13R1.156 C=CCSCC(=O)NC1CCCC1 1626a_100000211070_100000230395 [0,1,0,1,0,0|1,1,0]=4 7731 B13R1.156 C=CCSCC(=O)NC1CCCC1 240690a_100000211070_100000230395 [0,1,0,1,0,0|1,1,0]=4 7732 B13R1.156 C=CCSCC(=O)NC1CCCC1 527a_100000211070_100000230395 [0,1,0,1,0,0|1,1,0]=4 7733 B13R1.156 C=CCSCC(=O)NC1CCCC1 62a_100000183512_100000210623 [0,1,0,1,0,0|1,1,0]=4 7734 B13R1.156 C=CCSCC(=O)NC1CCCC1 62a_100000210623_100000183512 [0,1,0,1,0,0|1,1,0]=4 7735 B13R1.156 C=COCCC(=O)CC1CCCC1 1458a_100000210891_100000039644 [0,1,0,1,0,0|1,0,0]=3 7736 B13R1.156 C=COCCC(=O)CC1CCOC1 1458a_100011218419_100000039644 [0,1,0,1,0,0|2,0,0]=4 7737 B13R1.156 C=COCCC(=O)CN1CCCC1 1458a_100000740243_100000039644 [0,1,0,1,0,0|2,0,0]=4 7738 B13R1.156 CCCOCC(=O)CC1CCCC1 1458a_100000745993_100000740388 [0,1,0,1,0,0|0,0,2]=4 7739 B13R1.156 O=C(COCCO)CC1CCCC1 1458a_100000708028_100000740388 [0,1,0,1,0,0|1,0,1]=4 7740 B13R1.666 C/C=C/COC1CCCC(C1)CC 7a_100011985506_100102629194 [0,1,0,1,0,0|1,0,1]=4 7741 B13R1.666 C=CCCOC1CCCC(C1)CC 7a_100011985506_100000754431 [0,1,0,1,0,0|1,0,1]=4 7742 B13R1.666 CC=CCOC1CCCC(C1)CC 7a_100011985506_100000070051 [0,1,0,1,0,0|1,0,1]=4 7743 B13R1.725 C=CCCCC(=O)C1CCCC1C 1458a_100000690547_100000757094 [0,1,0,1,0,0|1,0,0]=3 7744 B13R1.725 C=CCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000766728 [0,1,0,1,0,0|2,0,0]=4 7745 B13R1.725 C=CCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000766728 [0,1,0,1,0,0|2,0,0]=4 7746 B13R1.725 C=CCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000766728 [0,1,0,1,0,0|2,0,0]=4 7747 B13R1.725 C=CCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000766728 [0,1,0,1,0,0|2,0,0]=4 7748 B13R1.725 C=CCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000766728 [0,1,0,1,0,0|2,0,0]=4 7749 B13R1.725 C=CCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000757094 [0,1,0,1,0,0|2,0,0]=4 7750 B13R1.725 C=CCCNC(=O)C1CCCC1C 11a_100015191253_100000690547 [0,1,0,1,0,0|1,0,0]=3 7751 B13R1.725 C=CCCNC(=O)C1CCCC1C 1626a_100015191253_100000690547 [0,1,0,1,0,0|1,0,0]=3 7752 B13R1.725 C=CCCNC(=O)C1CCCC1C 240690a_100015191253_100000690547 [0,1,0,1,0,0|1,0,0]=3 7753 B13R1.725 C=CCCNC(=O)C1CCCC1C 527a_100015191253_100000690547 [0,1,0,1,0,0|1,0,0]=3 7754 B13R1.725 C=CCCNC(=O)N1CCC[C@@H]1C 2708a_100015191253_100020605311 [0,1,0,1,0,0|2,0,0]=4 7755 B13R1.725 C=CCCNC(=O)N1CCC[C@@H]1C 273464a_100015191253_100020605311 [0,1,0,1,0,0|2,0,0]=4 7756 B13R1.725 C=CCCNC(=O)N1CCC[C@H]1C 2708a_100015191253_100015189458 [0,1,0,1,0,0|2,0,0]=4 7757 B13R1.725 C=CCCNC(=O)N1CCC[C@H]1C 273464a_100015191253_100015189458 [0,1,0,1,0,0|2,0,0]=4 7758 B13R1.725 C=CCCNC(=O)[C@@H]1CCCN1C 11a_100015191253_100009816429 [0,1,0,1,0,0|2,0,0]=4 7759 B13R1.725 C=CCCNC(=O)[C@@H]1CCCN1C 240690a_100015191253_100009816429 [0,1,0,1,0,0|2,0,0]=4 7760 B13R1.725 C=CCCNC(=O)[C@@H]1CCCN1C 527a_100015191253_100009816429 [0,1,0,1,0,0|2,0,0]=4 7761 B13R1.725 C=CCNNC(=O)C1CCCC1C 22a_100020588587_100000690547 [0,1,0,1,0,0|1,0,0]=3 7762 B13R1.725 C=CCNNC(=O)[C@@H]1CCCN1C 22a_100020588587_100009816429 [0,1,0,1,0,0|2,0,0]=4 7763 B13R1.725 C=CCSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000230395 [0,1,0,1,0,0|1,1,0]=4 7764 B13R1.725 C=CCSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000230395 [0,1,0,1,0,0|1,1,0]=4 7765 B13R1.725 C=CCSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000230395 [0,1,0,1,0,0|1,1,0]=4 7766 B13R1.725 C=CCSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000230395 [0,1,0,1,0,0|1,1,0]=4 7767 B13R1.725 C=CCSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000230395 [0,1,0,1,0,0|1,1,0]=4 7768 B13R1.725 C=COCCC(=O)C1CCCC1C 1458a_100000690547_100000039644 [0,1,0,1,0,0|1,0,0]=3 7769 B13R1.725 C=COCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000039644 [0,1,0,1,0,0|2,0,0]=4 7770 B13R1.728 C=CCCCC(=O)NCC1CCC1 11a_100000738700_100000766728 [0,1,0,1,0,0|2,0,0]=4 7771 B13R1.728 C=CCCCC(=O)NCC1CCC1 1626a_100000738700_100000766728 [0,1,0,1,0,0|2,0,0]=4 7772 B13R1.728 C=CCCCC(=O)NCC1CCC1 240690a_100000738700_100000766728 [0,1,0,1,0,0|2,0,0]=4 7773 B13R1.728 C=CCCCC(=O)NCC1CCC1 527a_100000738700_100000766728 [0,1,0,1,0,0|2,0,0]=4 7774 B13R1.728 C=CCCNC(=O)NCC1CCC1 2708a_100000738700_100015191253 [0,1,0,1,0,0|2,0,0]=4 7775 B13R1.728 C=CCCNC(=O)NCC1CCC1 2708a_100015191253_100000738700 [0,1,0,1,0,0|2,0,0]=4 7776 B13R1.728 C=CCCNC(=O)NCC1CCC1 273464a_100000738700_100015191253 [0,1,0,1,0,0|2,0,0]=4 7777 B13R1.728 C=CCCNC(=O)NCC1CCC1 273464a_100015191253_100000738700 [0,1,0,1,0,0|2,0,0]=4 7778 B13R1.728 C=CCCNC(=O)NCC1CCC1 512a_100000738700_100015191253 [0,1,0,1,0,0|2,0,0]=4 7779 B13R1.728 C=CCCNC(=O)NCC1CCC1 512a_100015191253_100000738700 [0,1,0,1,0,0|2,0,0]=4 7780 B13R1.728 C=CCNNC(=O)NCC1CCC1 273464a_100000738700_100020588587 [0,1,0,1,0,0|2,0,0]=4 7781 B13R1.728 C=CCNNC(=O)NCC1CCC1 512a_100000738700_100020588587 [0,1,0,1,0,0|2,0,0]=4 7782 B13R1.728 C=CCNNC(=O)NCC1CCC1 512a_100020588587_100000738700 [0,1,0,1,0,0|2,0,0]=4 7783 B13R1.728 C=CCSCC(=O)NCC1CCC1 11a_100000738700_100000230395 [0,1,0,1,0,0|1,1,0]=4 7784 B13R1.728 C=CCSCC(=O)NCC1CCC1 1626a_100000738700_100000230395 [0,1,0,1,0,0|1,1,0]=4 7785 B13R1.728 C=CCSCC(=O)NCC1CCC1 240690a_100000738700_100000230395 [0,1,0,1,0,0|1,1,0]=4 7786 B13R1.728 C=CCSCC(=O)NCC1CCC1 527a_100000738700_100000230395 [0,1,0,1,0,0|1,1,0]=4 7787 B13R1.729 C=CCCCC(=O)CCCC1CO1 1458a_100000766728_100000733510 [0,1,0,1,0,0|2,0,0]=4 7788 B13R1.729 C=CCCCC(=O)CSCC1CC1 1458a_200011316215_100000757094 [0,1,0,1,0,0|2,0,0]=4 7789 B13R1.729 C=CCCCC(=O)NCCC1CC1 1626a_100000764129_100000766728 [0,1,0,1,0,0|2,0,0]=4 7790 B13R1.729 C=CCCCC(=O)NCCC1CC1 240690a_100000764129_100000766728 [0,1,0,1,0,0|2,0,0]=4 7791 B13R1.729 C=CCCCC(=O)NCCC1CC1 527a_100000764129_100000766728 [0,1,0,1,0,0|2,0,0]=4 7792 B13R1.729 C=CCCNC(=O)CSCC1CC1 11a_100015191253_200011316215 [0,1,0,1,0,0|2,0,0]=4 7793 B13R1.729 C=CCCNC(=O)CSCC1CC1 1626a_100015191253_200011316215 [0,1,0,1,0,0|2,0,0]=4 7794 B13R1.729 C=CCCNC(=O)CSCC1CC1 240690a_100015191253_200011316215 [0,1,0,1,0,0|2,0,0]=4 7795 B13R1.729 C=CCCNC(=O)CSCC1CC1 527a_100015191253_200011316215 [0,1,0,1,0,0|2,0,0]=4 7796 B13R1.729 C=CCCNC(=O)NCCC1CC1 2708a_100000764129_100015191253 [0,1,0,1,0,0|2,0,0]=4 7797 B13R1.729 C=CCCNC(=O)NCCC1CC1 2708a_100015191253_100000764129 [0,1,0,1,0,0|2,0,0]=4 7798 B13R1.729 C=CCCNC(=O)NCCC1CC1 273464a_100000764129_100015191253 [0,1,0,1,0,0|2,0,0]=4 7799 B13R1.729 C=CCCNC(=O)NCCC1CC1 273464a_100015191253_100000764129 [0,1,0,1,0,0|2,0,0]=4 7800 B13R1.729 C=CCCNC(=O)NCCC1CC1 512a_100000764129_100015191253 [0,1,0,1,0,0|2,0,0]=4 7801 B13R1.729 C=CCCNC(=O)NCCC1CC1 512a_100015191253_100000764129 [0,1,0,1,0,0|2,0,0]=4 7802 B13R1.729 C=CCNNC(=O)CSCC1CC1 22a_100020588587_200011316215 [0,1,0,1,0,0|2,0,0]=4 7803 B13R1.729 C=CCNNC(=O)NCCC1CC1 273464a_100000764129_100020588587 [0,1,0,1,0,0|2,0,0]=4 7804 B13R1.729 C=CCNNC(=O)NCCC1CC1 512a_100000764129_100020588587 [0,1,0,1,0,0|2,0,0]=4 7805 B13R1.729 C=CCNNC(=O)NCCC1CC1 512a_100020588587_100000764129 [0,1,0,1,0,0|2,0,0]=4 7806 B13R1.729 C=CCSCC(=O)CCCC1CO1 1458a_100000230395_100000733510 [0,1,0,1,0,0|1,1,0]=4 7807 B13R1.729 C=CCSCC(=O)NCCC1CC1 1626a_100000764129_100000230395 [0,1,0,1,0,0|1,1,0]=4 7808 B13R1.729 C=CCSCC(=O)NCCC1CC1 240690a_100000764129_100000230395 [0,1,0,1,0,0|1,1,0]=4 7809 B13R1.729 C=CCSCC(=O)NCCC1CC1 527a_100000764129_100000230395 [0,1,0,1,0,0|1,1,0]=4 7810 B13R1.729 C=COCCC(=O)CSCC1CC1 1458a_200011316215_100000039644 [0,1,0,1,0,0|2,0,0]=4 7811 B13R1.1150 C/C=C/COC1CCCCCCC1 34a_100000210054_100102629194 [0,1,0,1,0,0|1,0,1]=4 7812 B13R1.1150 C/C=C/COC1CCCCCCC1 7a_100000210054_100102629194 [0,1,0,1,0,0|1,0,1]=4 7813 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [0,1,0,1,0,0|1,0,1]=4 7814 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [0,1,0,1,0,0|1,0,1]=4 7815 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [0,1,0,1,0,0|1,0,1]=4 7816 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [0,1,0,1,0,0|1,0,1]=4 7817 B13R1.1150 CC=CCOC1CCCCCCC1 34a_100000210054_100000070051 [0,1,0,1,0,0|1,0,1]=4 7818 B13R1.1150 CC=CCOC1CCCCCCC1 7a_100000210054_100000070051 [0,1,0,1,0,0|1,0,1]=4 7819 B13R1.2465 C/C=C/COC1(CCCCCC1)C 34a_100000708895_100102629194 [0,1,0,1,0,0|1,0,1]=4 7820 B13R1.2465 C/C=C/COC1(CCCCCC1)C 7a_100000708895_100102629194 [0,1,0,1,0,0|1,0,1]=4 7821 B13R1.2465 C=CCCOC1(CCCCCC1)C 34a_100000708895_100000754431 [0,1,0,1,0,0|1,0,1]=4 7822 B13R1.2465 C=CCCOC1(CCCCCC1)C 7a_100000708895_100000754431 [0,1,0,1,0,0|1,0,1]=4 7823 B13R1.2465 CC=CCOC1(CCCCCC1)C 34a_100000708895_100000070051 [0,1,0,1,0,0|1,0,1]=4 7824 B13R1.2465 CC=CCOC1(CCCCCC1)C 7a_100000708895_100000070051 [0,1,0,1,0,0|1,0,1]=4 7825 B13R1.2918 CCCCCCC(=O)C1CCC1=O 1458a_100102632555_100009892977 [0,1,0,1,0,0|1,0,1]=4 7826 B13R1.18 C=CCCC(=O)C1CCCC(C1)C 1458a_100011215569_100000754431 [0,1,0,1,0,0|1,0,0]=3 7827 B13R1.18 C=CCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000754431 [0,1,0,1,0,0|1,0,0]=3 7828 B13R1.18 C=CCCC(=O)C1CCCN(C1)C 1458a_100015257587_100000754431 [0,1,0,1,0,0|2,0,0]=4 7829 B13R1.18 C=CCCC(=O)N1CCCC(C1)F 11a_100000697950_100000749702 [0,1,0,1,0,0|2,0,0]=4 7830 B13R1.18 C=CCCC(=O)N1CCCC(C1)F 1626a_100000697950_100000749702 [0,1,0,1,0,0|2,0,0]=4 7831 B13R1.18 C=CCCC(=O)N1CCCC(C1)F 240690a_100000697950_100000749702 [0,1,0,1,0,0|2,0,0]=4 7832 B13R1.18 C=CCCC(=O)N1CCCC(C1)F 527a_100000697950_100000749702 [0,1,0,1,0,0|2,0,0]=4 7833 B13R1.18 C=CCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000749702 [0,1,0,1,0,0|2,0,0]=4 7834 B13R1.18 C=CCCC(=O)N1CCCC(C1)O 527a_100000211013_100000749702 [0,1,0,1,0,0|2,0,0]=4 7835 B13R1.18 C=CCCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000749702 [0,1,0,1,0,0|2,0,0]=4 7836 B13R1.18 C=CCCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000749702 [0,1,0,1,0,0|2,0,0]=4 7837 B13R1.18 C=CCCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000749702 [0,1,0,1,0,0|2,0,0]=4 7838 B13R1.18 C=CCNC(=O)C1CCCC(C1)C 1626a_100020586998_100011215569 [0,1,0,1,0,0|1,0,0]=3 7839 B13R1.18 C=CCNC(=O)C1CCCC(C1)C 240690a_100020586998_100011215569 [0,1,0,1,0,0|1,0,0]=3 7840 B13R1.18 C=CCNC(=O)C1CCCC(C1)C 527a_100020586998_100011215569 [0,1,0,1,0,0|1,0,0]=3 7841 B13R1.18 C=CCNC(=O)C1CCCC(C1)O 1626a_100020586998_100000707227 [0,1,0,1,0,0|1,0,0]=3 7842 B13R1.18 C=CCNC(=O)C1CCCC(C1)O 240690a_100020586998_100000707227 [0,1,0,1,0,0|1,0,0]=3 7843 B13R1.18 C=CCNC(=O)C1CCCN(C1)C 240690a_100020586998_100015257587 [0,1,0,1,0,0|2,0,0]=4 7844 B13R1.18 C=CCNC(=O)N1CCCC(C1)F 273464a_100020586998_100000697950 [0,1,0,1,0,0|2,0,0]=4 7845 B13R1.18 C=CCNC(=O)N1CCCC(C1)O 273464a_100020586998_100000211013 [0,1,0,1,0,0|2,0,0]=4 7846 B13R1.18 C=CCNC(=O)N1CCC[C@@H](C1)C 273464a_100020586998_100000717927 [0,1,0,1,0,0|2,0,0]=4 7847 B13R1.43 C=CCCC(=O)CC1CCN(C1)C 1458a_100000749702_200000690779 [0,1,0,1,0,0|2,0,0]=4 7848 B13R1.43 C=CCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000749702 [0,1,0,1,0,0|2,0,0]=4 7849 B13R1.43 C=CCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000749702 [0,1,0,1,0,0|2,0,0]=4 7850 B13R1.43 C=CCNC(=O)CN1CCC(C1)O 2230a_100011215560_100000183597 [0,1,0,1,0,0|2,0,0]=4 7851 B13R1.43 C=CCNC(=O)CN1CCC(C1)O 269982a_100011215560_100000183597 [0,1,0,1,0,0|2,0,0]=4 7852 B13R1.43 C=CCNC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000183597 [0,1,0,1,0,0|2,0,0]=4 7853 B13R1.43 C=CCNC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000183597 [0,1,0,1,0,0|2,0,0]=4 7854 B13R1.43 C=CCNC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000183597 [0,1,0,1,0,0|2,0,0]=4 7855 B13R1.43 C=CCNC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000183597 [0,1,0,1,0,0|2,0,0]=4 7856 B13R1.43 C=CCNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100015195300_100020586998 [0,1,0,1,0,0|2,0,0]=4 7857 B13R1.43 C=CCNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100015195300_100020586998 [0,1,0,1,0,0|2,0,0]=4 7858 B13R1.43 C=CCNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100020586998_100015195300 [0,1,0,1,0,0|2,0,0]=4 7859 B13R1.43 C=CCNC(=O)N[C@H]1CC[C@H](C1)O 512a_100015195300_100020586998 [0,1,0,1,0,0|2,0,0]=4 7860 B13R1.43 C=CCOC(=O)CN1CCC(C1)O 2230a_100011215560_100000033060 [0,1,0,1,0,0|1,0,0]=3 7861 B13R1.43 C=CCOC(=O)CN1CCC(C1)O 269982a_100011215560_100000033060 [0,1,0,1,0,0|1,0,0]=3 7862 B13R1.43 C=CCOC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000033060 [0,1,0,1,0,0|1,0,0]=3 7863 B13R1.43 C=CCOC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000033060 [0,1,0,1,0,0|1,0,0]=3 7864 B13R1.43 C=CCOC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000033060 [0,1,0,1,0,0|1,0,0]=3 7865 B13R1.43 C=CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000033060 [0,1,0,1,0,0|1,0,0]=3 7866 B13R1.43 C=CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000033060 [0,1,0,1,0,0|1,0,0]=3 7867 B13R1.43 C=CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000033060 [0,1,0,1,0,0|1,0,0]=3 7868 B13R1.676 C=CCNC(=O)CCNCC1CC1 2230a_100000735609_100011222895 [0,1,0,1,0,0|1,0,0]=3 7869 B13R1.676 C=CCNC(=O)CCSCC1CC1 62a_100000756562_100011222895 [0,1,0,1,0,0|1,0,0]=3 7870 B13R1.676 C=CCNC(=O)CCSCC1CC1 62a_100011222895_100000742324 [0,1,0,1,0,0|1,0,0]=3 7871 B13R1.676 C=CCNC(=O)CCSCC1CO1 62a_100011222895_102125554688 [0,1,0,1,0,0|2,0,0]=4 7872 B13R1.676 C=CCNC(=O)CCSCC1CO1 62a_102125554688_100011222895 [0,1,0,1,0,0|2,0,0]=4 7873 B13R1.676 C=CCNC(=O)CCSCC1CS1 62a_100000031435_100011222895 [0,1,0,1,0,0|2,0,0]=4 7874 B13R1.676 C=CCNC(=O)CCSCC1CS1 62a_100011222895_100000031435 [0,1,0,1,0,0|2,0,0]=4 7875 B13R1.676 C=CCNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100011222895 [0,1,0,1,0,0|2,0,0]=4 7876 B13R1.676 C=CCNC(=O)CCSC[C@@H]1CO1 62a_100011222895_100000745022 [0,1,0,1,0,0|2,0,0]=4 7877 B13R1.676 C=CCNC(=O)COCCC1CC1 7a_100000754188_100000183597 [0,1,0,1,0,0|1,0,0]=3 7878 B13R1.676 C=CCNC(=O)CSCCC1CC1 62a_100000183597_100000764125 [0,1,0,1,0,0|1,0,0]=3 7879 B13R1.676 C=CCNC(=O)CSCCC1CC1 62a_100000764125_100000183597 [0,1,0,1,0,0|1,0,0]=3 7880 B13R1.676 C=CCNC(=O)CSCCC1CO1 62a_100000183597_100000732470 [0,1,0,1,0,0|2,0,0]=4 7881 B13R1.676 C=CCNC(=O)CSCCC1CO1 62a_100000732470_100000183597 [0,1,0,1,0,0|2,0,0]=4 7882 B13R1.676 C=CCOC(=O)CNCCC1CC1 34a_100000764129_100000033060 [0,1,0,1,0,0|0,0,0]=2 7883 B13R1.676 C=CCOC(=O)COCCC1CC1 34a_100000754188_100000033060 [0,1,0,1,0,0|0,0,0]=2 7884 B13R1.676 C=CCOC(=O)COCCC1CC1 7a_100000754188_100000033060 [0,1,0,1,0,0|0,0,0]=2 7885 B13R1.676 C=CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000033060 [0,1,0,1,0,0|1,0,0]=3 7886 B13R1.676 C=CCOC(=O)CSCCC1CC1 62a_100000033060_100000764125 [0,1,0,1,0,0|0,0,0]=2 7887 B13R1.676 C=CCOC(=O)CSCCC1CC1 62a_100000764125_100000033060 [0,1,0,1,0,0|0,0,0]=2 7888 B13R1.676 C=CCOC(=O)CSCCC1CO1 62a_100000033060_100000732470 [0,1,0,1,0,0|1,0,0]=3 7889 B13R1.676 C=CCOC(=O)CSCCC1CO1 62a_100000732470_100000033060 [0,1,0,1,0,0|1,0,0]=3 7890 B13R1.676 CCCOC(=O)CNCCC1CC1 34a_100000764129_200011215008 [0,1,0,1,0,0|0,0,2]=4 7891 B13R1.676 CCCOC(=O)COCCC1CC1 34a_100000754188_200011215008 [0,1,0,1,0,0|0,0,2]=4 7892 B13R1.676 CCCOC(=O)COCCC1CC1 7a_100000754188_200011215008 [0,1,0,1,0,0|0,0,2]=4 7893 B13R1.676 CCCOC(=O)CSCCC1CC1 62a_100000764125_200011215008 [0,1,0,1,0,0|0,0,2]=4 7894 B13R1.676 CCCOC(=O)CSCCC1CC1 62a_200011215008_100000764125 [0,1,0,1,0,0|0,0,2]=4 7895 B13R1.678 C=CCCC(=O)NCC1CC(C1)O 11a_100016992100_100000749702 [0,1,0,1,0,0|2,0,0]=4 7896 B13R1.678 C=CCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000749702 [0,1,0,1,0,0|2,0,0]=4 7897 B13R1.678 C=CCNC(=O)CCN1CC(C1)C 2230a_100000702820_100011222895 [0,1,0,1,0,0|2,0,0]=4 7898 B13R1.678 C=CCNC(=O)CCN1CC(C1)C 269982a_100000702820_100011222895 [0,1,0,1,0,0|2,0,0]=4 7899 B13R1.678 C=CCNC(=O)CCN1CC(C1)F 2230a_100000690557_100011222895 [0,1,0,1,0,0|2,0,0]=4 7900 B13R1.678 C=CCNC(=O)CCN1CC(C1)F 269982a_100000690557_100011222895 [0,1,0,1,0,0|2,0,0]=4 7901 B13R1.678 C=CCNC(=O)CCN1CC(C1)O 269982a_100000749847_100011222895 [0,1,0,1,0,0|2,0,0]=4 7902 B13R1.678 C=CCNC(=O)CNC1CC(C1)F 2230a_100016993743_100000183597 [0,1,0,1,0,0|2,0,0]=4 7903 B13R1.678 C=CCNC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000183597 [0,1,0,1,0,0|2,0,0]=4 7904 B13R1.678 C=CCNC(=O)NCC1CC(C1)O 2708a_100016992100_100020586998 [0,1,0,1,0,0|2,0,0]=4 7905 B13R1.678 C=CCNC(=O)NCC1CC(C1)O 273464a_100016992100_100020586998 [0,1,0,1,0,0|2,0,0]=4 7906 B13R1.678 C=CCNC(=O)NCC1CC(C1)O 273464a_100020586998_100016992100 [0,1,0,1,0,0|2,0,0]=4 7907 B13R1.678 C=CCNC(=O)NCC1CC(C1)O 512a_100016992100_100020586998 [0,1,0,1,0,0|2,0,0]=4 7908 B13R1.678 C=CCNC(=O)NCC1CC(C1)O 512a_100020586998_100016992100 [0,1,0,1,0,0|2,0,0]=4 7909 B13R1.678 C=CCOC(=O)CNC1CC(=C)C1 2230a_100132301982_100000033060 [0,1,0,1,0,0|1,0,1]=4 7910 B13R1.678 C=CCOC(=O)CNC1CC(C1)F 2230a_100016993743_100000033060 [0,1,0,1,0,0|1,0,0]=3 7911 B13R1.678 C=CCOC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000033060 [0,1,0,1,0,0|1,0,0]=3 7912 B13R1.678 C=CCOC(=O)CSC1CC(=O)C1 62a_100009894365_100000033060 [0,1,0,1,0,0|1,0,1]=4 7913 B13R1.685 C=CCCC(=O)N1CCCC1(C)C 11a_100000761399_100000749702 [0,1,0,1,0,0|2,0,0]=4 7914 B13R1.685 C=CCCC(=O)N1CCCC1(C)C 1626a_100000761399_100000749702 [0,1,0,1,0,0|2,0,0]=4 7915 B13R1.685 C=CCCC(=O)N1CCCC1(C)C 240690a_100000761399_100000749702 [0,1,0,1,0,0|2,0,0]=4 7916 B13R1.685 C=CCCC(=O)N1CCCC1(C)C 527a_100000761399_100000749702 [0,1,0,1,0,0|2,0,0]=4 7917 B13R1.685 C=CCCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000754431 [0,1,0,1,0,0|2,0,0]=4 7918 B13R1.685 C=CCNC(=O)N1CCCC1(C)C 273464a_100020586998_100000761399 [0,1,0,1,0,0|2,0,0]=4 7919 B13R1.685 C=CCNC(=O)[C@@H]1CCC[N+]1(C)C 240690a_100020586998_100016991750 [0,1,0,1,0,0|2,0,0]=4 7920 B13R1.685 C=CCNC(=O)[C@@H]1CCC[N+]1(C)C 527a_100020586998_100016991750 [0,1,0,1,0,0|2,0,0]=4 7921 B13R1.2498 C=CCOC(=O)CNC1CC1(F)F 2230a_100020610826_100000033060 [0,1,0,1,0,0|2,0,0]=4 7922 B13R1.2498 C=CCOC(=O)CNC1CC1(F)F 34a_100020610826_100000033060 [0,1,0,1,0,0|2,0,0]=4 7923 B13R1.3529 CC(Br)CCOC1C(=O)COC1=O 34a_100009893172_100000032967 [0,1,0,1,0,0|2,0,0]=4 7924 B13R1.3529 CC(C)CCOC1C(=O)COC1=O 34a_100000210254_100000032967 [0,1,0,1,0,0|2,0,0]=4 7925 B13R1.3529 CC(C)CCSC1C(=O)COC1=O 62a_100000210312_100000032967 [0,1,0,1,0,0|2,0,0]=4 7926 B13R1.3529 CC(O)CCSC1C(=O)COC1=O 62a_100012276601_100000032967 [0,1,0,1,0,0|2,0,0]=4 7927 B13R1.3529 C[C@@H](N)CCOC1C(=O)COC1=O 34a_100000706166_100000032967 [0,1,0,1,0,0|2,0,0]=4 7928 B13R1.3580 C=CCNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011222895 [0,1,0,1,0,0|2,0,0]=4 7929 B13R1.3580 C=CCNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100011222895 [0,1,0,1,0,0|2,0,0]=4 7930 B13R1.3580 C=CCNC(=O)COCC1CC1C 7a_100000744939_100000183597 [0,1,0,1,0,0|1,0,0]=3 7931 B13R1.3580 C=CCOC(=O)COCC1CC1C 34a_100000744939_100000033060 [0,1,0,1,0,0|0,0,0]=2 7932 B13R1.3580 C=CCOC(=O)COCC1CC1C 7a_100000744939_100000033060 [0,1,0,1,0,0|0,0,0]=2 7933 B13R1.3580 CCCOC(=O)COCC1CC1C 34a_100000744939_200011215008 [0,1,0,1,0,0|0,0,2]=4 7934 B13R1.3580 CCCOC(=O)COCC1CC1C 7a_100000744939_200011215008 [0,1,0,1,0,0|0,0,2]=4 7935 B13R1.77 C=CCOC1CCC(CC1)CCC 34a_100011218949_100015514636 [0,1,0,1,0,0|1,0,1]=4 7936 B13R1.77 C=CCOC1CCC(CC1)CCC 7a_100011218949_100015514636 [0,1,0,1,0,0|1,0,1]=4 7937 B13R1.153 C=CC=CC(=O)CCC1CCCC1 1458a_100016291481_100000760354 [0,1,0,1,0,0|1,0,1]=4 7938 B13R1.153 C=CC=CC(=O)CCN1CCCC1 1458a_100016291481_100000004467 [0,1,0,1,0,0|1,0,1]=4 7939 B13R1.153 C=CC=CC(=O)NCC1CCCC1 1626a_100000737975_100016291481 [0,1,0,1,0,0|1,0,1]=4 7940 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000211120_100000754431 [0,1,0,1,0,0|1,0,0]=3 7941 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000749702_100000760354 [0,1,0,1,0,0|1,0,0]=3 7942 B13R1.153 C=CCCC(=O)CCC1CCCO1 1458a_100011247709_100000754431 [0,1,0,1,0,0|1,0,0]=3 7943 B13R1.153 C=CCCC(=O)CCC1OCCO1 1458a_100000082924_100000754431 [0,1,0,1,0,0|2,0,0]=4 7944 B13R1.153 C=CCCC(=O)CCC1OCCO1 1458a_100000749702_100000740749 [0,1,0,1,0,0|2,0,0]=4 7945 B13R1.153 C=CCCC(=O)CCN1CCCC1 1458a_100000738983_100000754431 [0,1,0,1,0,0|1,0,0]=3 7946 B13R1.153 C=CCCC(=O)CCN1CCCC1 1458a_100000749702_100000004467 [0,1,0,1,0,0|1,0,0]=3 7947 B13R1.153 C=CCCC(=O)CCN1CCCO1 1458a_200015187630_100000754431 [0,1,0,1,0,0|2,0,0]=4 7948 B13R1.153 C=CCCC(=O)COC1CCCC1 1458a_100000741352_100000754431 [0,1,0,1,0,0|1,0,0]=3 7949 B13R1.153 C=CCCC(=O)NCC1CCCC1 11a_100000737975_100000749702 [0,1,0,1,0,0|1,0,0]=3 7950 B13R1.153 C=CCCC(=O)NCC1CCCC1 1626a_100000737975_100000749702 [0,1,0,1,0,0|1,0,0]=3 7951 B13R1.153 C=CCCC(=O)NCC1CCCC1 240690a_100000737975_100000749702 [0,1,0,1,0,0|1,0,0]=3 7952 B13R1.153 C=CCCC(=O)NCC1CCCC1 527a_100000737975_100000749702 [0,1,0,1,0,0|1,0,0]=3 7953 B13R1.153 C=CCCC(=O)NCC1CCOC1 11a_100000737293_100000749702 [0,1,0,1,0,0|2,0,0]=4 7954 B13R1.153 C=CCCC(=O)NCC1CCOC1 1626a_100000737293_100000749702 [0,1,0,1,0,0|2,0,0]=4 7955 B13R1.153 C=CCCC(=O)NCC1CCOC1 240690a_100000737293_100000749702 [0,1,0,1,0,0|2,0,0]=4 7956 B13R1.153 C=CCCC(=O)NCC1CCOC1 527a_100000737293_100000749702 [0,1,0,1,0,0|2,0,0]=4 7957 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000749702 [0,1,0,1,0,0|2,0,0]=4 7958 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000749702 [0,1,0,1,0,0|2,0,0]=4 7959 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000749702 [0,1,0,1,0,0|2,0,0]=4 7960 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000749702 [0,1,0,1,0,0|2,0,0]=4 7961 B13R1.153 C=CCCC(=O)NNC1CCCC1 22a_100000737850_100000749702 [0,1,0,1,0,0|2,0,0]=4 7962 B13R1.153 C=CCNC(=O)CCC1CCCC1 1626a_100020586998_100000211120 [0,1,0,1,0,0|1,0,0]=3 7963 B13R1.153 C=CCNC(=O)CCC1CCCC1 240690a_100020586998_100000211120 [0,1,0,1,0,0|1,0,0]=3 7964 B13R1.153 C=CCNC(=O)CCC1CCCC1 527a_100020586998_100000211120 [0,1,0,1,0,0|1,0,0]=3 7965 B13R1.153 C=CCNC(=O)CCC1CCCO1 1626a_100020586998_100011247709 [0,1,0,1,0,0|1,0,0]=3 7966 B13R1.153 C=CCNC(=O)CCC1CCCO1 240690a_100020586998_100011247709 [0,1,0,1,0,0|1,0,0]=3 7967 B13R1.153 C=CCNC(=O)CCC1CCCO1 527a_100020586998_100011247709 [0,1,0,1,0,0|1,0,0]=3 7968 B13R1.153 C=CCNC(=O)CCN1CCCC1 2230a_100000188435_100011222895 [0,1,0,1,0,0|1,0,0]=3 7969 B13R1.153 C=CCNC(=O)CCN1CCCC1 240690a_100020586998_100000738983 [0,1,0,1,0,0|1,0,0]=3 7970 B13R1.153 C=CCNC(=O)CCN1CCCC1 269982a_100000188435_100011222895 [0,1,0,1,0,0|1,0,0]=3 7971 B13R1.153 C=CCNC(=O)CCN1CCCO1 240690a_100020586998_200015187630 [0,1,0,1,0,0|2,0,0]=4 7972 B13R1.153 C=CCNC(=O)CCN1CCSC1 2230a_100011215254_100011222895 [0,1,0,1,0,0|2,0,0]=4 7973 B13R1.153 C=CCNC(=O)CCN1CCSC1 269982a_100011215254_100011222895 [0,1,0,1,0,0|2,0,0]=4 7974 B13R1.153 C=CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183597 [0,1,0,1,0,0|1,0,0]=3 7975 B13R1.153 C=CCNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183597 [0,1,0,1,0,0|2,0,0]=4 7976 B13R1.153 C=CCNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183597 [0,1,0,1,0,0|2,0,0]=4 7977 B13R1.153 C=CCNC(=O)COC1CCCC1 1626a_100020586998_100000741352 [0,1,0,1,0,0|1,0,0]=3 7978 B13R1.153 C=CCNC(=O)COC1CCCC1 240690a_100020586998_100000741352 [0,1,0,1,0,0|1,0,0]=3 7979 B13R1.153 C=CCNC(=O)COC1CCCC1 527a_100020586998_100000741352 [0,1,0,1,0,0|1,0,0]=3 7980 B13R1.153 C=CCNC(=O)COC1CCCC1 7a_100000210269_100000183597 [0,1,0,1,0,0|1,0,0]=3 7981 B13R1.153 C=CCNC(=O)COC1CCSC1 7a_100011232664_100000183597 [0,1,0,1,0,0|2,0,0]=4 7982 B13R1.153 C=CCNC(=O)CSC1CCCC1 62a_100000183597_100000179811 [0,1,0,1,0,0|1,0,0]=3 7983 B13R1.153 C=CCNC(=O)CSC1CCCC1 62a_100011217020_100000183597 [0,1,0,1,0,0|1,0,0]=3 7984 B13R1.153 C=CCNC(=O)CSC1CCOC1 62a_100000183597_100000690089 [0,1,0,1,0,0|2,0,0]=4 7985 B13R1.153 C=CCNC(=O)NCC1CCCC1 2708a_100000737975_100020586998 [0,1,0,1,0,0|1,0,0]=3 7986 B13R1.153 C=CCNC(=O)NCC1CCCC1 273464a_100000737975_100020586998 [0,1,0,1,0,0|1,0,0]=3 7987 B13R1.153 C=CCNC(=O)NCC1CCCC1 273464a_100020586998_100000737975 [0,1,0,1,0,0|1,0,0]=3 7988 B13R1.153 C=CCNC(=O)NCC1CCCC1 512a_100000737975_100020586998 [0,1,0,1,0,0|1,0,0]=3 7989 B13R1.153 C=CCNC(=O)NCC1CCCC1 512a_100020586998_100000737975 [0,1,0,1,0,0|1,0,0]=3 7990 B13R1.153 C=CCNC(=O)NCC1CCOC1 2708a_100000737293_100020586998 [0,1,0,1,0,0|2,0,0]=4 7991 B13R1.153 C=CCNC(=O)NCC1CCOC1 273464a_100000737293_100020586998 [0,1,0,1,0,0|2,0,0]=4 7992 B13R1.153 C=CCNC(=O)NCC1CCOC1 273464a_100020586998_100000737293 [0,1,0,1,0,0|2,0,0]=4 7993 B13R1.153 C=CCNC(=O)NCC1CCOC1 512a_100000737293_100020586998 [0,1,0,1,0,0|2,0,0]=4 7994 B13R1.153 C=CCNC(=O)NCC1CCOC1 512a_100020586998_100000737293 [0,1,0,1,0,0|2,0,0]=4 7995 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100020586998 [0,1,0,1,0,0|2,0,0]=4 7996 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 273464a_100020586998_100020590478 [0,1,0,1,0,0|2,0,0]=4 7997 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100020586998 [0,1,0,1,0,0|2,0,0]=4 7998 B13R1.153 C=CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100020586998 [0,1,0,1,0,0|2,0,0]=4 7999 B13R1.153 C=CCNC(=O)NNC1CCCC1 273464a_100020586998_100000737850 [0,1,0,1,0,0|2,0,0]=4 8000 B13R1.153 C=CCNC(=O)NNC1CCCC1 512a_100020586998_100000737850 [0,1,0,1,0,0|2,0,0]=4 8001 B13R1.153 C=CCOC(=O)CNC1CC=CC1 2230a_100015188752_100000033060 [0,1,0,1,0,0|0,0,2]=4 8002 B13R1.153 C=CCOC(=O)CNC1CCCC1 2230a_100000211070_100000033060 [0,1,0,1,0,0|0,0,0]=2 8003 B13R1.153 C=CCOC(=O)CNC1CCCC1 34a_100000211070_100000033060 [0,1,0,1,0,0|0,0,0]=2 8004 B13R1.153 C=CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000033060 [0,1,0,1,0,0|1,0,0]=3 8005 B13R1.153 C=CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000033060 [0,1,0,1,0,0|1,0,0]=3 8006 B13R1.153 C=CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000033060 [0,1,0,1,0,0|1,0,0]=3 8007 B13R1.153 C=CCOC(=O)COC1CCCC1 34a_100000210269_100000033060 [0,1,0,1,0,0|0,0,0]=2 8008 B13R1.153 C=CCOC(=O)COC1CCCC1 7a_100000210269_100000033060 [0,1,0,1,0,0|0,0,0]=2 8009 B13R1.153 C=CCOC(=O)COC1CCCO1 34a_100000085407_100000033060 [0,1,0,1,0,0|1,0,0]=3 8010 B13R1.153 C=CCOC(=O)COC1CCSC1 7a_100011232664_100000033060 [0,1,0,1,0,0|1,0,0]=3 8011 B13R1.153 C=CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000033060 [0,1,0,1,0,0|1,0,0]=3 8012 B13R1.153 C=CCOC(=O)CSC1CCCC1 62a_100000033060_100000179811 [0,1,0,1,0,0|0,0,0]=2 8013 B13R1.153 C=CCOC(=O)CSC1CCCC1 62a_100011217020_100000033060 [0,1,0,1,0,0|0,0,0]=2 8014 B13R1.153 C=CCOC(=O)CSC1CCOC1 62a_100000033060_100000690089 [0,1,0,1,0,0|1,0,0]=3 8015 B13R1.153 CCCOC(=O)CNC1CCCC1 2230a_100000211070_200011215008 [0,1,0,1,0,0|0,0,2]=4 8016 B13R1.153 CCCOC(=O)CNC1CCCC1 34a_100000211070_200011215008 [0,1,0,1,0,0|0,0,2]=4 8017 B13R1.153 CCCOC(=O)COC1CCCC1 34a_100000210269_200011215008 [0,1,0,1,0,0|0,0,2]=4 8018 B13R1.153 CCCOC(=O)COC1CCCC1 7a_100000210269_200011215008 [0,1,0,1,0,0|0,0,2]=4 8019 B13R1.153 CCCOC(=O)CSC1CCCC1 62a_100011217020_200011215008 [0,1,0,1,0,0|0,0,2]=4 8020 B13R1.153 CCCOC(=O)CSC1CCCC1 62a_200011215008_100000179811 [0,1,0,1,0,0|0,0,2]=4 8021 B13R1.680 C=CCCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000754431 [0,1,0,1,0,0|2,0,0]=4 8022 B13R1.680 C=CCNC(=O)[C@@H]1C[C@H](CN1C)O 240690a_100020586998_100015191551 [0,1,0,1,0,0|2,0,0]=4 8023 B13R1.686 C=CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000749702 [0,1,0,1,0,0|2,0,0]=4 8024 B13R1.686 C=CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000749702 [0,1,0,1,0,0|2,0,0]=4 8025 B13R1.686 C=CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183597 [0,1,0,1,0,0|1,0,0]=3 8026 B13R1.686 C=CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183597 [0,1,0,1,0,0|1,0,0]=3 8027 B13R1.686 C=CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183597 [0,1,0,1,0,0|1,0,0]=3 8028 B13R1.686 C=CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183597 [0,1,0,1,0,0|1,0,0]=3 8029 B13R1.686 C=CCNC(=O)CN1CCSC1C 2230a_200011216479_100000183597 [0,1,0,1,0,0|2,0,0]=4 8030 B13R1.686 C=CCNC(=O)CN1CCSC1C 269982a_200011216479_100000183597 [0,1,0,1,0,0|2,0,0]=4 8031 B13R1.686 C=CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100020586998 [0,1,0,1,0,0|2,0,0]=4 8032 B13R1.686 C=CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100020586998_100000748460 [0,1,0,1,0,0|2,0,0]=4 8033 B13R1.686 C=CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000033060 [0,1,0,1,0,0|0,0,0]=2 8034 B13R1.686 C=CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000033060 [0,1,0,1,0,0|0,0,0]=2 8035 B13R1.686 C=CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000033060 [0,1,0,1,0,0|0,0,0]=2 8036 B13R1.686 C=CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000033060 [0,1,0,1,0,0|0,0,0]=2 8037 B13R1.686 C=CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000033060 [0,1,0,1,0,0|0,0,0]=2 8038 B13R1.686 C=CCOC(=O)CN1CCSC1C 2230a_200011216479_100000033060 [0,1,0,1,0,0|1,0,0]=3 8039 B13R1.686 C=CCOC(=O)CN1CCSC1C 269982a_200011216479_100000033060 [0,1,0,1,0,0|1,0,0]=3 8040 B13R1.686 C=CCOC(=O)CN1CCSC1C 34a_200011216479_100000033060 [0,1,0,1,0,0|1,0,0]=3 8041 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_200011215008 [0,1,0,1,0,0|0,0,2]=4 8042 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_200011215008 [0,1,0,1,0,0|0,0,2]=4 8043 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_200011215008 [0,1,0,1,0,0|0,0,2]=4 8044 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_200011215008 [0,1,0,1,0,0|0,0,2]=4 8045 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 34a_100015189458_200011215008 [0,1,0,1,0,0|0,0,2]=4 8046 B13R1.1309 C=CCCC(=O)COC(C)C1CC1 1458a_200000137917_100000754431 [0,1,0,1,0,0|2,0,0]=4 8047 B13R1.1309 C=CCCC(=O)NCC(O)C1CC1 11a_100000751198_100000749702 [0,1,0,1,0,0|2,0,0]=4 8048 B13R1.1309 C=CCCC(=O)NCC(O)C1CC1 240690a_100000751198_100000749702 [0,1,0,1,0,0|2,0,0]=4 8049 B13R1.1309 C=CCCC(=O)NCC(O)C1CC1 527a_100000751198_100000749702 [0,1,0,1,0,0|2,0,0]=4 8050 B13R1.1309 C=CCNC(=O)CCN(C)C1CC1 2230a_100000226674_100011222895 [0,1,0,1,0,0|2,0,0]=4 8051 B13R1.1309 C=CCNC(=O)CCN(C)C1CC1 269982a_100000226674_100011222895 [0,1,0,1,0,0|2,0,0]=4 8052 B13R1.1309 C=CCNC(=O)CNC(C)C1CC1 2230a_100000700016_100000183597 [0,1,0,1,0,0|2,0,0]=4 8053 B13R1.1309 C=CCNC(=O)COC(C)C1CC1 1626a_100020586998_200000137917 [0,1,0,1,0,0|2,0,0]=4 8054 B13R1.1309 C=CCNC(=O)COC(C)C1CC1 240690a_100020586998_200000137917 [0,1,0,1,0,0|2,0,0]=4 8055 B13R1.1309 C=CCNC(=O)COC(C)C1CC1 527a_100020586998_200000137917 [0,1,0,1,0,0|2,0,0]=4 8056 B13R1.1309 C=CCNC(=O)COC(C)C1CC1 7a_100000744524_100000183597 [0,1,0,1,0,0|2,0,0]=4 8057 B13R1.1309 C=CCNC(=O)NCC(O)C1CC1 273464a_100000751198_100020586998 [0,1,0,1,0,0|2,0,0]=4 8058 B13R1.1309 C=CCNC(=O)NCC(O)C1CC1 273464a_100020586998_100000751198 [0,1,0,1,0,0|2,0,0]=4 8059 B13R1.1309 C=CCNC(=O)NCC(O)C1CC1 512a_100020586998_100000751198 [0,1,0,1,0,0|2,0,0]=4 8060 B13R1.1309 C=CCOC(=O)CNC(C)C1CC1 2230a_100000700016_100000033060 [0,1,0,1,0,0|1,0,0]=3 8061 B13R1.1309 C=CCOC(=O)CNC(C)C1CC1 34a_100000700016_100000033060 [0,1,0,1,0,0|1,0,0]=3 8062 B13R1.1309 C=CCOC(=O)COC(C)C1CC1 34a_100000744524_100000033060 [0,1,0,1,0,0|1,0,0]=3 8063 B13R1.1309 C=CCOC(=O)COC(C)C1CC1 7a_100000744524_100000033060 [0,1,0,1,0,0|1,0,0]=3 8064 B13R1.2493 C=CCCC(=O)C1CC(C1)COC 1458a_100000138301_100000754431 [0,1,0,1,0,0|2,0,0]=4 8065 B13R1.2493 C=CCNC(=O)C1CC(C1)COC 1626a_100020586998_100000138301 [0,1,0,1,0,0|2,0,0]=4 8066 B13R1.2493 C=CCNC(=O)C1CC(C1)COC 240690a_100020586998_100000138301 [0,1,0,1,0,0|2,0,0]=4 8067 B13R1.2493 C=CCNC(=O)C1CC(C1)COC 527a_100020586998_100000138301 [0,1,0,1,0,0|2,0,0]=4 8068 B13R1.2499 C=CCCC(=O)NCC1(CCC1)C 11a_100000706607_100000749702 [0,1,0,1,0,0|2,0,0]=4 8069 B13R1.2499 C=CCCC(=O)NCC1(CCC1)C 1626a_100000706607_100000749702 [0,1,0,1,0,0|2,0,0]=4 8070 B13R1.2499 C=CCCC(=O)NCC1(CCC1)C 240690a_100000706607_100000749702 [0,1,0,1,0,0|2,0,0]=4 8071 B13R1.2499 C=CCCC(=O)NCC1(CCC1)C 527a_100000706607_100000749702 [0,1,0,1,0,0|2,0,0]=4 8072 B13R1.2499 C=CCCC(=O)NCC1(CCC1)O 11a_100000752638_100000749702 [0,1,0,1,0,0|2,0,0]=4 8073 B13R1.2499 C=CCCC(=O)NCC1(CCC1)O 1626a_100000752638_100000749702 [0,1,0,1,0,0|2,0,0]=4 8074 B13R1.2499 C=CCCC(=O)NCC1(CCC1)O 240690a_100000752638_100000749702 [0,1,0,1,0,0|2,0,0]=4 8075 B13R1.2499 C=CCCC(=O)NCC1(CCC1)O 527a_100000752638_100000749702 [0,1,0,1,0,0|2,0,0]=4 8076 B13R1.2499 C=CCNC(=O)CNC1(CCC1)C 2230a_100000692455_100000183597 [0,1,0,1,0,0|2,0,0]=4 8077 B13R1.2499 C=CCNC(=O)COC1(CCC1)C 7a_100000759064_100000183597 [0,1,0,1,0,0|2,0,0]=4 8078 B13R1.2499 C=CCNC(=O)NCC1(CCC1)C 2708a_100000706607_100020586998 [0,1,0,1,0,0|2,0,0]=4 8079 B13R1.2499 C=CCNC(=O)NCC1(CCC1)C 273464a_100000706607_100020586998 [0,1,0,1,0,0|2,0,0]=4 8080 B13R1.2499 C=CCNC(=O)NCC1(CCC1)C 273464a_100020586998_100000706607 [0,1,0,1,0,0|2,0,0]=4 8081 B13R1.2499 C=CCNC(=O)NCC1(CCC1)C 512a_100000706607_100020586998 [0,1,0,1,0,0|2,0,0]=4 8082 B13R1.2499 C=CCNC(=O)NCC1(CCC1)C 512a_100020586998_100000706607 [0,1,0,1,0,0|2,0,0]=4 8083 B13R1.2499 C=CCNC(=O)NCC1(CCC1)O 2708a_100000752638_100020586998 [0,1,0,1,0,0|2,0,0]=4 8084 B13R1.2499 C=CCNC(=O)NCC1(CCC1)O 273464a_100020586998_100000752638 [0,1,0,1,0,0|2,0,0]=4 8085 B13R1.2499 C=CCNC(=O)NCC1(CCC1)O 512a_100000752638_100020586998 [0,1,0,1,0,0|2,0,0]=4 8086 B13R1.2499 C=CCNC(=O)NCC1(CCC1)O 512a_100020586998_100000752638 [0,1,0,1,0,0|2,0,0]=4 8087 B13R1.2499 C=CCOC(=O)CNC1(CCC1)C 2230a_100000692455_100000033060 [0,1,0,1,0,0|1,0,0]=3 8088 B13R1.2499 C=CCOC(=O)CNC1(CCC1)C 34a_100000692455_100000033060 [0,1,0,1,0,0|1,0,0]=3 8089 B13R1.2499 C=CCOC(=O)CNC1(COC1)C 2230a_100000732644_100000033060 [0,1,0,1,0,0|2,0,0]=4 8090 B13R1.2499 C=CCOC(=O)COC1(CCC1)C 34a_100000759064_100000033060 [0,1,0,1,0,0|1,0,0]=3 8091 B13R1.2499 C=CCOC(=O)COC1(CCC1)C 7a_100000759064_100000033060 [0,1,0,1,0,0|1,0,0]=3 8092 B13R1.2499 C=CCOC(=O)COC1(CSC1)C 7a_100016018533_100000033060 [0,1,0,1,0,0|2,0,0]=4 8093 B13R1.2565 CCCC(C)OC1C(=O)COC1=O 34a_100000764384_100000032967 [0,1,0,1,0,0|2,0,0]=4 8094 B13R1.2565 CCCC(C)SC1C(=O)COC1=O 62a_100000766640_100000032967 [0,1,0,1,0,0|2,0,0]=4 8095 B13R1.17 C=CC=CC(=O)C1CCC(CC1)C 1458a_100016291481_200011216234 [0,1,0,1,0,0|1,0,1]=4 8096 B13R1.17 C=CCCC(=O)C1CCC(=C)CC1 1458a_200000138047_100000754431 [0,1,0,1,0,0|1,0,1]=4 8097 B13R1.17 C=CCCC(=O)C1CCC(CC1)C 1458a_100000749702_200011216234 [0,1,0,1,0,0|1,0,0]=3 8098 B13R1.17 C=CCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000754431 [0,1,0,1,0,0|1,0,0]=3 8099 B13R1.17 C=CCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000754431 [0,1,0,1,0,0|2,0,0]=4 8100 B13R1.17 C=CCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000749702 [0,1,0,1,0,0|2,0,0]=4 8101 B13R1.17 C=CCCC(=O)N1CCC(CC1)C 527a_100000188429_100000749702 [0,1,0,1,0,0|2,0,0]=4 8102 B13R1.17 C=CCCC(=O)N1CCC(CC1)F 11a_100015193889_100000749702 [0,1,0,1,0,0|2,0,0]=4 8103 B13R1.17 C=CCCC(=O)N1CCC(CC1)F 1626a_100015193889_100000749702 [0,1,0,1,0,0|2,0,0]=4 8104 B13R1.17 C=CCCC(=O)N1CCC(CC1)F 240690a_100015193889_100000749702 [0,1,0,1,0,0|2,0,0]=4 8105 B13R1.17 C=CCCC(=O)N1CCC(CC1)F 527a_100015193889_100000749702 [0,1,0,1,0,0|2,0,0]=4 8106 B13R1.17 C=CCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000749702 [0,1,0,1,0,0|2,0,0]=4 8107 B13R1.17 C=CCCC(=O)N1CCC(CC1)O 527a_100025773856_100000749702 [0,1,0,1,0,0|2,0,0]=4 8108 B13R1.17 C=CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000754431 [0,1,0,1,0,0|1,0,0]=3 8109 B13R1.17 C=CCNC(=O)C1CCC(=C)CC1 1626a_100020586998_200000138047 [0,1,0,1,0,0|1,0,1]=4 8110 B13R1.17 C=CCNC(=O)C1CCC(=C)CC1 240690a_100020586998_200000138047 [0,1,0,1,0,0|1,0,1]=4 8111 B13R1.17 C=CCNC(=O)C1CCC(=C)CC1 527a_100020586998_200000138047 [0,1,0,1,0,0|1,0,1]=4 8112 B13R1.17 C=CCNC(=O)C1CCC(CC1)O 1626a_100020586998_100000743365 [0,1,0,1,0,0|1,0,0]=3 8113 B13R1.17 C=CCNC(=O)C1CCC(CC1)O 240690a_100020586998_100000743365 [0,1,0,1,0,0|1,0,0]=3 8114 B13R1.17 C=CCNC(=O)C1CCC(CC1)O 527a_100020586998_100000743365 [0,1,0,1,0,0|1,0,0]=3 8115 B13R1.17 C=CCNC(=O)C1CCN(CC1)C 240690a_100020586998_100000743488 [0,1,0,1,0,0|2,0,0]=4 8116 B13R1.17 C=CCNC(=O)C1CCN(CC1)C 527a_100020586998_100000743488 [0,1,0,1,0,0|2,0,0]=4 8117 B13R1.17 C=CCNC(=O)N1CCC(CC1)C 273464a_100020586998_100000188429 [0,1,0,1,0,0|2,0,0]=4 8118 B13R1.17 C=CCNC(=O)N1CCC(CC1)F 273464a_100020586998_100015193889 [0,1,0,1,0,0|2,0,0]=4 8119 B13R1.17 C=CCNC(=O)N1CCC(CC1)O 273464a_100020586998_100025773856 [0,1,0,1,0,0|2,0,0]=4 8120 B13R1.17 C=CCNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100020586998_100009815934 [0,1,0,1,0,0|1,0,0]=3 8121 B13R1.17 C=CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100020586998_100009815934 [0,1,0,1,0,0|1,0,0]=3 8122 B13R1.17 C=CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100020586998_100009815934 [0,1,0,1,0,0|1,0,0]=3 8123 B13R1.17 C=CCOC(=O)N1CCN(CC1)C 2230a_100025712760_200000210301 [0,1,0,1,0,0|2,0,0]=4 8124 B13R1.17 C=CCOC(=O)N1CCN(CC1)C 269982a_100025712760_200000210301 [0,1,0,1,0,0|2,0,0]=4 8125 B13R1.17 C=CCOC(=O)N1CCN(CC1)[13CH3] 2230a_100025712760_200025704644 [0,1,0,1,0,0|2,0,0]=4 8126 B13R1.17 C=CCOC(=O)N1CCN(CC1)[13CH3] 269982a_100025712760_200025704644 [0,1,0,1,0,0|2,0,0]=4 8127 B13R1.677 C=CCCC(=O)CCC1CCC1=O 1458a_100000749702_200016118888 [0,1,0,1,0,0|1,0,1]=4 8128 B13R1.677 C=CCNC(=O)CCN1CCC1C 269982a_100000755817_100011222895 [0,1,0,1,0,0|1,0,0]=3 8129 B13R1.677 C=CCOC(=O)CSC1CCC1=O 62a_100000033060_100009892977 [0,1,0,1,0,0|1,0,1]=4 8130 B13R1.677 C=CCOC(=O)CSC1CCC1=O 62a_100009892977_100000033060 [0,1,0,1,0,0|1,0,1]=4 8131 B13R1.679 C=CCCC(=O)C1CCN(C1)CC 1458a_100103286618_100000754431 [0,1,0,1,0,0|2,0,0]=4 8132 B13R1.679 C=CCNC(=O)C1CCN(C1)CC 240690a_100020586998_100103286618 [0,1,0,1,0,0|2,0,0]=4 8133 B13R1.683 C=CCCC(=O)NCCN1CCC1 240690a_100000691440_100000749702 [0,1,0,1,0,0|2,0,0]=4 8134 B13R1.683 C=CCCC(=O)NNCC1CCC1 22a_200020586977_100000749702 [0,1,0,1,0,0|2,0,0]=4 8135 B13R1.683 C=CCNC(=O)CCNC1CCC1 2230a_100000749019_100011222895 [0,1,0,1,0,0|1,0,0]=3 8136 B13R1.683 C=CCNC(=O)CCNC1COC1 2230a_100016991112_100011222895 [0,1,0,1,0,0|2,0,0]=4 8137 B13R1.683 C=CCNC(=O)CCOC1CSC1 7a_100000072292_100011222895 [0,1,0,1,0,0|2,0,0]=4 8138 B13R1.683 C=CCNC(=O)CCSC1CCC1 62a_100011222895_100000749161 [0,1,0,1,0,0|1,0,0]=3 8139 B13R1.683 C=CCNC(=O)CCSC1COC1 62a_100011222895_100009818527 [0,1,0,1,0,0|2,0,0]=4 8140 B13R1.683 C=CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183597 [0,1,0,1,0,0|1,0,0]=3 8141 B13R1.683 C=CCNC(=O)CNCC1COC1 2230a_100015281925_100000183597 [0,1,0,1,0,0|2,0,0]=4 8142 B13R1.683 C=CCNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183597 [0,1,0,1,0,0|2,0,0]=4 8143 B13R1.683 C=CCNC(=O)CSCC1CCC1 62a_100000183597_100000763275 [0,1,0,1,0,0|1,0,0]=3 8144 B13R1.683 C=CCNC(=O)CSCC1CCC1 62a_100000763275_100000183597 [0,1,0,1,0,0|1,0,0]=3 8145 B13R1.683 C=CCNC(=O)CSCC1CCO1 62a_100000103362_100000183597 [0,1,0,1,0,0|2,0,0]=4 8146 B13R1.683 C=CCNC(=O)CSCC1CCO1 62a_100000183597_100000103362 [0,1,0,1,0,0|2,0,0]=4 8147 B13R1.683 C=CCNC(=O)CSCC1COC1 62a_100000183597_100010264016 [0,1,0,1,0,0|2,0,0]=4 8148 B13R1.683 C=CCNC(=O)CSCC1COC1 62a_100010264016_100000183597 [0,1,0,1,0,0|2,0,0]=4 8149 B13R1.683 C=CCNC(=O)NCCN1CCC1 2708a_100000691440_100020586998 [0,1,0,1,0,0|2,0,0]=4 8150 B13R1.683 C=CCNC(=O)NCCN1CCC1 273464a_100000691440_100020586998 [0,1,0,1,0,0|2,0,0]=4 8151 B13R1.683 C=CCNC(=O)NCCN1CCC1 273464a_100020586998_100000691440 [0,1,0,1,0,0|2,0,0]=4 8152 B13R1.683 C=CCNC(=O)NCCN1CCC1 512a_100020586998_100000691440 [0,1,0,1,0,0|2,0,0]=4 8153 B13R1.683 C=CCNC(=O)NNCC1CCC1 273464a_100020586998_200020586977 [0,1,0,1,0,0|2,0,0]=4 8154 B13R1.683 C=CCNC(=O)NNCC1CCC1 512a_100020586998_200020586977 [0,1,0,1,0,0|2,0,0]=4 8155 B13R1.683 C=CCNC(=O)NNCC1CCC1 512a_200020586977_100020586998 [0,1,0,1,0,0|2,0,0]=4 8156 B13R1.683 C=CCOC(=O)CNCC1CCC1 2230a_100000738700_100000033060 [0,1,0,1,0,0|0,0,0]=2 8157 B13R1.683 C=CCOC(=O)CNCC1CCC1 34a_100000738700_100000033060 [0,1,0,1,0,0|0,0,0]=2 8158 B13R1.683 C=CCOC(=O)CNCC1COC1 2230a_100015281925_100000033060 [0,1,0,1,0,0|1,0,0]=3 8159 B13R1.683 C=CCOC(=O)CNCC1COC1 34a_100015281925_100000033060 [0,1,0,1,0,0|1,0,0]=3 8160 B13R1.683 C=CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000033060 [0,1,0,1,0,0|1,0,0]=3 8161 B13R1.683 C=CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000033060 [0,1,0,1,0,0|1,0,0]=3 8162 B13R1.683 C=CCOC(=O)COCC1CCC1 34a_100000760304_100000033060 [0,1,0,1,0,0|0,0,0]=2 8163 B13R1.683 C=CCOC(=O)COCC1CCO1 34a_100000039022_100000033060 [0,1,0,1,0,0|1,0,0]=3 8164 B13R1.683 C=CCOC(=O)COCC1CNC1 34a_100016987283_100000033060 [0,1,0,1,0,0|1,0,0]=3 8165 B13R1.683 C=CCOC(=O)COCC1COC1 34a_100000060846_100000033060 [0,1,0,1,0,0|1,0,0]=3 8166 B13R1.683 C=CCOC(=O)CSCC1CCC1 62a_100000033060_100000763275 [0,1,0,1,0,0|0,0,0]=2 8167 B13R1.683 C=CCOC(=O)CSCC1CCC1 62a_100000763275_100000033060 [0,1,0,1,0,0|0,0,0]=2 8168 B13R1.683 C=CCOC(=O)CSCC1CCO1 62a_100000033060_100000103362 [0,1,0,1,0,0|1,0,0]=3 8169 B13R1.683 C=CCOC(=O)CSCC1CCO1 62a_100000103362_100000033060 [0,1,0,1,0,0|1,0,0]=3 8170 B13R1.683 C=CCOC(=O)CSCC1COC1 62a_100000033060_100010264016 [0,1,0,1,0,0|1,0,0]=3 8171 B13R1.683 C=CCOC(=O)CSCC1COC1 62a_100010264016_100000033060 [0,1,0,1,0,0|1,0,0]=3 8172 B13R1.683 CCCOC(=O)CNCC1CCC1 2230a_100000738700_200011215008 [0,1,0,1,0,0|0,0,2]=4 8173 B13R1.683 CCCOC(=O)CNCC1CCC1 34a_100000738700_200011215008 [0,1,0,1,0,0|0,0,2]=4 8174 B13R1.683 CCCOC(=O)COCC1CCC1 34a_100000760304_200011215008 [0,1,0,1,0,0|0,0,2]=4 8175 B13R1.683 CCCOC(=O)CSCC1CCC1 62a_100000763275_200011215008 [0,1,0,1,0,0|0,0,2]=4 8176 B13R1.683 CCCOC(=O)CSCC1CCC1 62a_200011215008_100000763275 [0,1,0,1,0,0|0,0,2]=4 8177 B13R1.2042 CCC(C)CSC1C(=O)COC1=O 62a_100000748023_100000032967 [0,1,0,1,0,0|2,0,0]=4 8178 B13R1.2042 CCC(O)CSC1C(=O)COC1=O 62a_100011218378_100000032967 [0,1,0,1,0,0|2,0,0]=4 8179 B13R1.2042 CC[C@H](C)CSC1C(=O)COC1=O 62a_100009816398_100000032967 [0,1,0,1,0,0|2,0,0]=4 8180 B13R1.2548 C=CCNC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000183597 [0,1,0,1,0,0|2,0,0]=4 8181 B13R1.2548 C=CCNC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000183597 [0,1,0,1,0,0|2,0,0]=4 8182 B13R1.2548 C=CCOC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000033060 [0,1,0,1,0,0|1,0,0]=3 8183 B13R1.2548 C=CCOC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000033060 [0,1,0,1,0,0|1,0,0]=3 8184 B13R1.2550 C=CCNC(=O)CN1CC(C1)CC 2230a_100015205115_100000183597 [0,1,0,1,0,0|2,0,0]=4 8185 B13R1.2550 C=CCNC(=O)CN1CC(C1)CC 269982a_100015205115_100000183597 [0,1,0,1,0,0|2,0,0]=4 8186 B13R1.2550 C=CCOC(=O)CN1CC(C1)CC 2230a_100015205115_100000033060 [0,1,0,1,0,0|1,0,0]=3 8187 B13R1.2550 C=CCOC(=O)CN1CC(C1)CC 269982a_100015205115_100000033060 [0,1,0,1,0,0|1,0,0]=3 8188 B13R1.2550 C=CCOC(=O)CN1CC(C1)CF 269982a_100010363649_100000033060 [0,1,0,1,0,0|2,0,0]=4 8189 B13R1.2550 C=CCOC(=O)CN1CC(C1)CF 34a_100010363649_100000033060 [0,1,0,1,0,0|2,0,0]=4 8190 B13R1.2550 C=CCOC(=O)CN1CC(C1)CO 269982a_100016987283_100000033060 [0,1,0,1,0,0|2,0,0]=4 8191 B13R1.2550 C=CCOC(=O)CN1CC(C1)CO 34a_100016987283_100000033060 [0,1,0,1,0,0|2,0,0]=4 8192 B13R1.2550 C=CCOC(=O)CN1CC(C1)OC 269982a_100000755009_100000033060 [0,1,0,1,0,0|2,0,0]=4 8193 B13R1.2550 C=CCOC(=O)CN1CC(C1)SC 269982a_100016990038_100000033060 [0,1,0,1,0,0|2,0,0]=4 8194 B13R1.3603 C=CCNC(=O)CCNC1(CC1)C 2230a_100000757604_100011222895 [0,1,0,1,0,0|2,0,0]=4 8195 B13R1.3603 C=CCNC(=O)CCOC1(CC1)C 7a_100011725673_100011222895 [0,1,0,1,0,0|2,0,0]=4 8196 B13R1.3603 C=CCNC(=O)CNCC1(CC1)C 2230a_100000766693_100000183597 [0,1,0,1,0,0|2,0,0]=4 8197 B13R1.3603 C=CCNC(=O)CNCC1(CC1)O 2230a_100011936951_100000183597 [0,1,0,1,0,0|2,0,0]=4 8198 B13R1.3603 C=CCNC(=O)COCC1(CC1)C 7a_100000698024_100000183597 [0,1,0,1,0,0|2,0,0]=4 8199 B13R1.3603 C=CCNC(=O)COCC1(CC1)F 7a_200000703853_100000183597 [0,1,0,1,0,0|2,0,0]=4 8200 B13R1.3603 C=CCOC(=O)CNCC1(CC1)C 2230a_100000766693_100000033060 [0,1,0,1,0,0|1,0,0]=3 8201 B13R1.3603 C=CCOC(=O)CNCC1(CC1)O 2230a_100011936951_100000033060 [0,1,0,1,0,0|1,0,0]=3 8202 B13R1.3603 C=CCOC(=O)COCC1(CC1)C 7a_100000698024_100000033060 [0,1,0,1,0,0|1,0,0]=3 8203 B13R1.3603 C=CCOC(=O)COCC1(CC1)F 34a_200000703853_100000033060 [0,1,0,1,0,0|1,0,0]=3 8204 B13R1.3603 C=CCOC(=O)COCC1(CC1)F 7a_200000703853_100000033060 [0,1,0,1,0,0|1,0,0]=3 8205 B13R1.3603 C=CCOC(=O)CSCC1(CO1)C 62a_100000033060_100000760498 [0,1,0,1,0,0|2,0,0]=4 8206 B13R1.3603 C=CCOC(=O)CSCC1(CO1)C 62a_100000760498_100000033060 [0,1,0,1,0,0|2,0,0]=4 8207 B13R1.44 C=CC=CC(=O)CC1CCCCC1 1458a_100016291481_100000211423 [0,1,0,1,0,0|1,0,1]=4 8208 B13R1.44 C=CC=CC(=O)CC1CCCCO1 1458a_100016291481_100000211543 [0,1,0,1,0,0|1,0,1]=4 8209 B13R1.44 C=CC=CC(=O)CC1CCCOC1 1458a_100016291481_100000741521 [0,1,0,1,0,0|1,0,1]=4 8210 B13R1.44 C=CC=CC(=O)CC1CCOCC1 1458a_100016291481_100000754603 [0,1,0,1,0,0|1,0,1]=4 8211 B13R1.44 C=CC=CC(=O)NC1CCCCC1 1626a_100000182618_100016291481 [0,1,0,1,0,0|1,0,1]=4 8212 B13R1.44 C=CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000754431 [0,1,0,1,0,0|1,0,1]=4 8213 B13R1.44 C=CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000754431 [0,1,0,1,0,0|1,0,1]=4 8214 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000211666_100000754431 [0,1,0,1,0,0|1,0,0]=3 8215 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000749702_100000211423 [0,1,0,1,0,0|1,0,0]=3 8216 B13R1.44 C=CCCC(=O)CC1CCCCO1 1458a_100000238585_100000754431 [0,1,0,1,0,0|1,0,0]=3 8217 B13R1.44 C=CCCC(=O)CC1CCCCO1 1458a_100000749702_100000211543 [0,1,0,1,0,0|1,0,0]=3 8218 B13R1.44 C=CCCC(=O)CC1CCCOC1 1458a_100000741523_100000754431 [0,1,0,1,0,0|1,0,0]=3 8219 B13R1.44 C=CCCC(=O)CC1CCCOC1 1458a_100000749702_100000741521 [0,1,0,1,0,0|1,0,0]=3 8220 B13R1.44 C=CCCC(=O)CC1CCOCC1 1458a_100000749702_100000754603 [0,1,0,1,0,0|1,0,0]=3 8221 B13R1.44 C=CCCC(=O)CC1CCOCC1 1458a_100000757261_100000754431 [0,1,0,1,0,0|1,0,0]=3 8222 B13R1.44 C=CCCC(=O)CN1CCCCC1 1458a_100000740322_100000754431 [0,1,0,1,0,0|1,0,0]=3 8223 B13R1.44 C=CCCC(=O)CN1CCOCC1 1458a_100000740321_100000754431 [0,1,0,1,0,0|2,0,0]=4 8224 B13R1.44 C=CCCC(=O)NC1CCCCC1 11a_100000182618_100000749702 [0,1,0,1,0,0|1,0,0]=3 8225 B13R1.44 C=CCCC(=O)NC1CCCCC1 1626a_100000182618_100000749702 [0,1,0,1,0,0|1,0,0]=3 8226 B13R1.44 C=CCCC(=O)NC1CCCCC1 240690a_100000182618_100000749702 [0,1,0,1,0,0|1,0,0]=3 8227 B13R1.44 C=CCCC(=O)NC1CCCCC1 527a_100000182618_100000749702 [0,1,0,1,0,0|1,0,0]=3 8228 B13R1.44 C=CCCC(=O)NC1CCCOC1 11a_100000719290_100000749702 [0,1,0,1,0,0|2,0,0]=4 8229 B13R1.44 C=CCCC(=O)NC1CCCOC1 1626a_100000719290_100000749702 [0,1,0,1,0,0|2,0,0]=4 8230 B13R1.44 C=CCCC(=O)NC1CCCOC1 240690a_100000719290_100000749702 [0,1,0,1,0,0|2,0,0]=4 8231 B13R1.44 C=CCCC(=O)NC1CCCOC1 527a_100000719290_100000749702 [0,1,0,1,0,0|2,0,0]=4 8232 B13R1.44 C=CCCC(=O)NC1CCOCC1 11a_100000741149_100000749702 [0,1,0,1,0,0|2,0,0]=4 8233 B13R1.44 C=CCCC(=O)NC1CCOCC1 1626a_100000741149_100000749702 [0,1,0,1,0,0|2,0,0]=4 8234 B13R1.44 C=CCCC(=O)NC1CCOCC1 240690a_100000741149_100000749702 [0,1,0,1,0,0|2,0,0]=4 8235 B13R1.44 C=CCCC(=O)NC1CCOCC1 527a_100000741149_100000749702 [0,1,0,1,0,0|2,0,0]=4 8236 B13R1.44 C=CCCC(=O)NC1CCSCC1 11a_100000748639_100000749702 [0,1,0,1,0,0|2,0,0]=4 8237 B13R1.44 C=CCCC(=O)NC1CCSCC1 1626a_100000748639_100000749702 [0,1,0,1,0,0|2,0,0]=4 8238 B13R1.44 C=CCCC(=O)NC1CCSCC1 240690a_100000748639_100000749702 [0,1,0,1,0,0|2,0,0]=4 8239 B13R1.44 C=CCCC(=O)NC1CCSCC1 527a_100000748639_100000749702 [0,1,0,1,0,0|2,0,0]=4 8240 B13R1.44 C=CCNC(=O)C=C1CCCCC1 1626a_100020586998_100000743792 [0,1,0,1,0,0|1,0,1]=4 8241 B13R1.44 C=CCNC(=O)C=C1CCCCC1 240690a_100020586998_100000743792 [0,1,0,1,0,0|1,0,1]=4 8242 B13R1.44 C=CCNC(=O)CC1=CCCCC1 1626a_100020586998_100000039269 [0,1,0,1,0,0|1,0,1]=4 8243 B13R1.44 C=CCNC(=O)CC1=CCCCC1 240690a_100020586998_100000039269 [0,1,0,1,0,0|1,0,1]=4 8244 B13R1.44 C=CCNC(=O)CC1=CCCCC1 527a_100020586998_100000039269 [0,1,0,1,0,0|1,0,1]=4 8245 B13R1.44 C=CCNC(=O)CC1CCCCC1 1626a_100020586998_100000211666 [0,1,0,1,0,0|1,0,0]=3 8246 B13R1.44 C=CCNC(=O)CC1CCCCC1 240690a_100020586998_100000211666 [0,1,0,1,0,0|1,0,0]=3 8247 B13R1.44 C=CCNC(=O)CC1CCCCC1 527a_100020586998_100000211666 [0,1,0,1,0,0|1,0,0]=3 8248 B13R1.44 C=CCNC(=O)CC1CCCCO1 1626a_100020586998_100000238585 [0,1,0,1,0,0|1,0,0]=3 8249 B13R1.44 C=CCNC(=O)CC1CCCCO1 240690a_100020586998_100000238585 [0,1,0,1,0,0|1,0,0]=3 8250 B13R1.44 C=CCNC(=O)CC1CCCCO1 527a_100020586998_100000238585 [0,1,0,1,0,0|1,0,0]=3 8251 B13R1.44 C=CCNC(=O)CC1CCCOC1 1626a_100020586998_100000741523 [0,1,0,1,0,0|1,0,0]=3 8252 B13R1.44 C=CCNC(=O)CC1CCCOC1 240690a_100020586998_100000741523 [0,1,0,1,0,0|1,0,0]=3 8253 B13R1.44 C=CCNC(=O)CC1CCCOC1 527a_100020586998_100000741523 [0,1,0,1,0,0|1,0,0]=3 8254 B13R1.44 C=CCNC(=O)CC1CCOCC1 1626a_100020586998_100000757261 [0,1,0,1,0,0|1,0,0]=3 8255 B13R1.44 C=CCNC(=O)CC1CCOCC1 240690a_100020586998_100000757261 [0,1,0,1,0,0|1,0,0]=3 8256 B13R1.44 C=CCNC(=O)CC1CCOCC1 527a_100020586998_100000757261 [0,1,0,1,0,0|1,0,0]=3 8257 B13R1.44 C=CCNC(=O)CN1CCCCC1 240690a_100020586998_100000740322 [0,1,0,1,0,0|1,0,0]=3 8258 B13R1.44 C=CCNC(=O)CN1CCCCC1 527a_100020586998_100000740322 [0,1,0,1,0,0|1,0,0]=3 8259 B13R1.44 C=CCNC(=O)CN1CCCOC1 2230a_100000131196_100000183597 [0,1,0,1,0,0|2,0,0]=4 8260 B13R1.44 C=CCNC(=O)CN1CCCOC1 269982a_100000131196_100000183597 [0,1,0,1,0,0|2,0,0]=4 8261 B13R1.44 C=CCNC(=O)CN1CCOCC1 2230a_100015191051_100000183597 [0,1,0,1,0,0|2,0,0]=4 8262 B13R1.44 C=CCNC(=O)CN1CCOCC1 240690a_100020586998_100000740321 [0,1,0,1,0,0|2,0,0]=4 8263 B13R1.44 C=CCNC(=O)CN1CCOCC1 269982a_100015191051_100000183597 [0,1,0,1,0,0|2,0,0]=4 8264 B13R1.44 C=CCNC(=O)CN1CCOCC1 527a_100020586998_100000740321 [0,1,0,1,0,0|2,0,0]=4 8265 B13R1.44 C=CCNC(=O)CN1CCSCC1 2230a_100000737611_100000183597 [0,1,0,1,0,0|2,0,0]=4 8266 B13R1.44 C=CCNC(=O)CN1CCSCC1 269982a_100000737611_100000183597 [0,1,0,1,0,0|2,0,0]=4 8267 B13R1.44 C=CCNC(=O)NC1CCCCC1 2708a_100000182618_100020586998 [0,1,0,1,0,0|1,0,0]=3 8268 B13R1.44 C=CCNC(=O)NC1CCCCC1 273464a_100000182618_100020586998 [0,1,0,1,0,0|1,0,0]=3 8269 B13R1.44 C=CCNC(=O)NC1CCCCC1 273464a_100020586998_100000182618 [0,1,0,1,0,0|1,0,0]=3 8270 B13R1.44 C=CCNC(=O)NC1CCCOC1 2708a_100000719290_100020586998 [0,1,0,1,0,0|2,0,0]=4 8271 B13R1.44 C=CCNC(=O)NC1CCCOC1 273464a_100000719290_100020586998 [0,1,0,1,0,0|2,0,0]=4 8272 B13R1.44 C=CCNC(=O)NC1CCCOC1 273464a_100020586998_100000719290 [0,1,0,1,0,0|2,0,0]=4 8273 B13R1.44 C=CCNC(=O)NC1CCCOC1 512a_100000719290_100020586998 [0,1,0,1,0,0|2,0,0]=4 8274 B13R1.44 C=CCNC(=O)NC1CCCOC1 512a_100020586998_100000719290 [0,1,0,1,0,0|2,0,0]=4 8275 B13R1.44 C=CCNC(=O)NC1CCOCC1 2708a_100000741149_100020586998 [0,1,0,1,0,0|2,0,0]=4 8276 B13R1.44 C=CCNC(=O)NC1CCOCC1 273464a_100000741149_100020586998 [0,1,0,1,0,0|2,0,0]=4 8277 B13R1.44 C=CCNC(=O)NC1CCOCC1 273464a_100020586998_100000741149 [0,1,0,1,0,0|2,0,0]=4 8278 B13R1.44 C=CCNC(=O)NC1CCOCC1 512a_100000741149_100020586998 [0,1,0,1,0,0|2,0,0]=4 8279 B13R1.44 C=CCNC(=O)NC1CCOCC1 512a_100020586998_100000741149 [0,1,0,1,0,0|2,0,0]=4 8280 B13R1.44 C=CCNC(=O)NC1CCSCC1 2708a_100000748639_100020586998 [0,1,0,1,0,0|2,0,0]=4 8281 B13R1.44 C=CCNC(=O)NC1CCSCC1 273464a_100000748639_100020586998 [0,1,0,1,0,0|2,0,0]=4 8282 B13R1.44 C=CCNC(=O)NC1CCSCC1 273464a_100020586998_100000748639 [0,1,0,1,0,0|2,0,0]=4 8283 B13R1.44 C=CCNC(=O)NC1CCSCC1 512a_100000748639_100020586998 [0,1,0,1,0,0|2,0,0]=4 8284 B13R1.44 C=CCNC(=O)NC1CCSCC1 512a_100020586998_100000748639 [0,1,0,1,0,0|2,0,0]=4 8285 B13R1.44 C=CCOC(=O)CN1CC=CCC1 2230a_100000698166_100000033060 [0,1,0,1,0,0|0,0,2]=4 8286 B13R1.44 C=CCOC(=O)CN1CC=CCC1 269982a_100000698166_100000033060 [0,1,0,1,0,0|0,0,2]=4 8287 B13R1.44 C=CCOC(=O)CN1CC=CCC1 34a_100000698166_100000033060 [0,1,0,1,0,0|0,0,2]=4 8288 B13R1.44 C=CCOC(=O)CN1CCCOC1 2230a_100000131196_100000033060 [0,1,0,1,0,0|1,0,0]=3 8289 B13R1.44 C=CCOC(=O)CN1CCCOC1 269982a_100000131196_100000033060 [0,1,0,1,0,0|1,0,0]=3 8290 B13R1.44 C=CCOC(=O)CN1CCCOC1 34a_100000131196_100000033060 [0,1,0,1,0,0|1,0,0]=3 8291 B13R1.44 C=CCOC(=O)CN1CCOCC1 2230a_100015191051_100000033060 [0,1,0,1,0,0|1,0,0]=3 8292 B13R1.44 C=CCOC(=O)CN1CCOCC1 269982a_100015191051_100000033060 [0,1,0,1,0,0|1,0,0]=3 8293 B13R1.44 C=CCOC(=O)CN1CCOCC1 34a_100015191051_100000033060 [0,1,0,1,0,0|1,0,0]=3 8294 B13R1.44 C=CCOC(=O)CN1CCSCC1 2230a_100000737611_100000033060 [0,1,0,1,0,0|1,0,0]=3 8295 B13R1.44 C=CCOC(=O)CN1CCSCC1 269982a_100000737611_100000033060 [0,1,0,1,0,0|1,0,0]=3 8296 B13R1.674 C=CC=CC(=O)N1CCCCC1C 1626a_100000211376_100016291481 [0,1,0,1,0,0|1,0,1]=4 8297 B13R1.674 C=CCCC(=O)C1CCCCC1=O 1458a_100000749702_100000204591 [0,1,0,1,0,0|1,0,1]=4 8298 B13R1.674 C=CCCC(=O)C1CCCCC1C 1458a_100011215568_100000754431 [0,1,0,1,0,0|1,0,0]=3 8299 B13R1.674 C=CCCC(=O)C1CCCCC1O 1458a_100011803323_100000754431 [0,1,0,1,0,0|1,0,0]=3 8300 B13R1.674 C=CCCC(=O)N1CCCCC1C 11a_100000211376_100000749702 [0,1,0,1,0,0|1,0,0]=3 8301 B13R1.674 C=CCCC(=O)N1CCCCC1C 1626a_100000211376_100000749702 [0,1,0,1,0,0|1,0,0]=3 8302 B13R1.674 C=CCCC(=O)N1CCCCC1C 240690a_100000211376_100000749702 [0,1,0,1,0,0|1,0,0]=3 8303 B13R1.674 C=CCCC(=O)N1CCCCC1C 527a_100000211376_100000749702 [0,1,0,1,0,0|1,0,0]=3 8304 B13R1.674 C=CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000749702 [0,1,0,1,0,0|2,0,0]=4 8305 B13R1.674 C=CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000749702 [0,1,0,1,0,0|2,0,0]=4 8306 B13R1.674 C=CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000749702 [0,1,0,1,0,0|2,0,0]=4 8307 B13R1.674 C=CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000754431 [0,1,0,1,0,0|1,0,0]=3 8308 B13R1.674 C=CCNC(=O)C1CCCCC1C 1626a_100020586998_100011215568 [0,1,0,1,0,0|1,0,0]=3 8309 B13R1.674 C=CCNC(=O)C1CCCCC1C 240690a_100020586998_100011215568 [0,1,0,1,0,0|1,0,0]=3 8310 B13R1.674 C=CCNC(=O)C1CCCCC1C 527a_100020586998_100011215568 [0,1,0,1,0,0|1,0,0]=3 8311 B13R1.674 C=CCNC(=O)N1CCCCC1C 273464a_100020586998_100000211376 [0,1,0,1,0,0|1,0,0]=3 8312 B13R1.674 C=CCNC(=O)N1CCOC[C@@H]1C 273464a_100020586998_100009815349 [0,1,0,1,0,0|2,0,0]=4 8313 B13R1.674 C=CCNC(=O)[C@H]1CCCCN1C 1626a_100020586998_100000767060 [0,1,0,1,0,0|1,0,0]=3 8314 B13R1.674 C=CCNC(=O)[C@H]1CCCCN1C 240690a_100020586998_100000767060 [0,1,0,1,0,0|1,0,0]=3 8315 B13R1.674 C=CCNC(=O)[C@H]1CCCCN1C 527a_100020586998_100000767060 [0,1,0,1,0,0|1,0,0]=3 8316 B13R1.2515 C=CCCC(=O)N1C(CCC1C)C 11a_100000687148_100000749702 [0,1,0,1,0,0|2,0,0]=4 8317 B13R1.2515 C=CCCC(=O)N1C(CCC1C)C 240690a_100000687148_100000749702 [0,1,0,1,0,0|2,0,0]=4 8318 B13R1.2515 C=CCCC(=O)N1C(CCC1C)C 527a_100000687148_100000749702 [0,1,0,1,0,0|2,0,0]=4 8319 B13R1.2515 C=CCNC(=O)N1C(CCC1C)C 273464a_100020586998_100000687148 [0,1,0,1,0,0|2,0,0]=4 8320 B13R1.2515 CCCCN(C)C1C(=O)COC1=O 269982a_100000207549_100000032967 [0,1,0,1,0,0|2,0,0]=4 8321 B13R1.3432 C=CCCC(=O)CC(=O)C1CCC1 1458a_100000749702_100000686122 [0,1,0,1,0,0|1,0,1]=4 8322 B13R1.3432 C=CCCC(=O)NC(C)C1CCC1 11a_100016994624_100000749702 [0,1,0,1,0,0|2,0,0]=4 8323 B13R1.3432 C=CCCC(=O)NC(C)C1CCC1 1626a_100016994624_100000749702 [0,1,0,1,0,0|2,0,0]=4 8324 B13R1.3432 C=CCCC(=O)NC(C)C1CCC1 240690a_100016994624_100000749702 [0,1,0,1,0,0|2,0,0]=4 8325 B13R1.3432 C=CCCC(=O)NC(C)C1CCC1 527a_100016994624_100000749702 [0,1,0,1,0,0|2,0,0]=4 8326 B13R1.3432 C=CCNC(=O)CC(=O)C1CCC1 1458a_100000209988_100000183597 [0,1,0,1,0,0|1,0,1]=4 8327 B13R1.3432 C=CCNC(=O)CN(C)C1CCC1 2230a_100000758072_100000183597 [0,1,0,1,0,0|2,0,0]=4 8328 B13R1.3432 C=CCNC(=O)CN(C)C1CCC1 269982a_100000758072_100000183597 [0,1,0,1,0,0|2,0,0]=4 8329 B13R1.3432 C=CCNC(=O)NC(C)C1CCC1 2708a_100016994624_100020586998 [0,1,0,1,0,0|2,0,0]=4 8330 B13R1.3432 C=CCNC(=O)NC(C)C1CCC1 273464a_100016994624_100020586998 [0,1,0,1,0,0|2,0,0]=4 8331 B13R1.3432 C=CCNC(=O)NC(C)C1CCC1 273464a_100020586998_100016994624 [0,1,0,1,0,0|2,0,0]=4 8332 B13R1.3432 C=CCNC(=O)NC(C)C1CCC1 512a_100016994624_100020586998 [0,1,0,1,0,0|2,0,0]=4 8333 B13R1.3432 C=CCNC(=O)NC(C)C1CCC1 512a_100020586998_100016994624 [0,1,0,1,0,0|2,0,0]=4 8334 B13R1.3432 C=CCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000033060 [0,1,0,1,0,0|0,0,1]=3 8335 B13R1.3432 C=CCOC(=O)CC(=O)C1CCO1 1458a_100000089072_100000033060 [0,1,0,1,0,0|1,0,1]=4 8336 B13R1.3432 C=CCOC(=O)CC(=O)C1COC1 1458a_100000758290_100000033060 [0,1,0,1,0,0|1,0,1]=4 8337 B13R1.3432 C=CCOC(=O)CN(C)C1CCC1 2230a_100000758072_100000033060 [0,1,0,1,0,0|1,0,0]=3 8338 B13R1.3432 C=CCOC(=O)CN(C)C1CCC1 269982a_100000758072_100000033060 [0,1,0,1,0,0|1,0,0]=3 8339 B13R1.3432 C=CCOC(=O)CN(C)C1CCC1 34a_100000758072_100000033060 [0,1,0,1,0,0|1,0,0]=3 8340 B13R1.3432 C=CCOC(=O)CN(C)C1COC1 2230a_100102693430_100000033060 [0,1,0,1,0,0|2,0,0]=4 8341 B13R1.3432 C=CCOC(=O)CN(C)C1COC1 269982a_100102693430_100000033060 [0,1,0,1,0,0|2,0,0]=4 8342 B13R1.3434 C=CCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000754431 [0,1,0,1,0,0|2,0,0]=4 8343 B13R1.3434 C=CCNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000183597 [0,1,0,1,0,0|1,0,1]=4 8344 B13R1.3434 C=CCNC(=O)CN(C)CC1CC1 2230a_100000741881_100000183597 [0,1,0,1,0,0|2,0,0]=4 8345 B13R1.3434 C=CCNC(=O)CN(C)CC1CC1 269982a_100000741881_100000183597 [0,1,0,1,0,0|2,0,0]=4 8346 B13R1.3434 C=CCNC(=O)CS(=O)CC1CC1 1626a_100020586998_100011387478 [0,1,0,1,0,0|2,0,0]=4 8347 B13R1.3434 C=CCNC(=O)CS(=O)CC1CC1 240690a_100020586998_100011387478 [0,1,0,1,0,0|2,0,0]=4 8348 B13R1.3434 C=CCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000033060 [0,1,0,1,0,0|0,0,1]=3 8349 B13R1.3434 C=CCOC(=O)CN(C)CC1CC1 2230a_100000741881_100000033060 [0,1,0,1,0,0|1,0,0]=3 8350 B13R1.3434 C=CCOC(=O)CN(C)CC1CC1 269982a_100000741881_100000033060 [0,1,0,1,0,0|1,0,0]=3 8351 B13R1.5520 C=CCNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000183597 [0,1,0,1,0,0|1,0,1]=4 8352 B13R1.5520 C=CCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000033060 [0,1,0,1,0,0|0,0,1]=3 8353 B13R1.5520 C=CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000033060 [0,1,0,1,0,0|1,0,1]=4 8354 B13R1.26 C=CCOC(CC)C1CCCCC1 34a_100011215090_100015514636 [0,1,0,1,0,0|1,0,1]=4 8355 B13R1.26 C=CCOC(CC)C1CCCCC1 7a_100011215090_100015514636 [0,1,0,1,0,0|1,0,1]=4 8356 B13R1.555 CCCCCOc1cccoc1=O 34a_100000077404_100000718602 [0,1,0,1,0,0|0,0,2]=4 8357 B13R1.555 CCCCCOc1cccoc1=O 7a_100000077404_100000210326 [0,1,0,1,0,0|0,0,2]=4 8358 B13R1.11 C=CC(=O)CC(=O)C1CCCCC1 1458a_100000185746_100000241979 [0,1,0,1,0,0|1,0,1]=4 8359 B13R1.11 C=CC(C)CC(=O)C1CCCCC1 1458a_100011934298_100000210327 [0,1,0,1,0,0|1,0,0]=3 8360 B13R1.11 C=CC(C)CC(=O)C1CCCOC1 1458a_100011934298_100000693364 [0,1,0,1,0,0|2,0,0]=4 8361 B13R1.11 C=CC(C)CC(=O)C1CCOCC1 1458a_100011934298_100011324220 [0,1,0,1,0,0|2,0,0]=4 8362 B13R1.439 C=CC(C)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100011934298 [0,1,0,1,0,0|2,0,0]=4 8363 B13R1.439 C=CC(C)CC(=O)N1CCC[C@@H]1C 527a_100020605311_100011934298 [0,1,0,1,0,0|2,0,0]=4 8364 B13R1.439 C=CC(C)CC(=O)N1CCC[C@H]1C 11a_100015189458_100011934298 [0,1,0,1,0,0|2,0,0]=4 8365 B13R1.439 C=CC(C)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100011934298 [0,1,0,1,0,0|2,0,0]=4 8366 B13R1.439 C=CC(C)CC(=O)N1CCC[C@H]1C 527a_100015189458_100011934298 [0,1,0,1,0,0|2,0,0]=4 8367 B13R1.441 C=CC(C)CC(=O)NCC1CCC1 11a_100000738700_100011934298 [0,1,0,1,0,0|2,0,0]=4 8368 B13R1.441 C=CC(C)CC(=O)NCC1CCC1 1626a_100000738700_100011934298 [0,1,0,1,0,0|2,0,0]=4 8369 B13R1.441 C=CC(C)CC(=O)NCC1CCC1 240690a_100000738700_100011934298 [0,1,0,1,0,0|2,0,0]=4 8370 B13R1.441 C=CC(C)CC(=O)NCC1CCC1 527a_100000738700_100011934298 [0,1,0,1,0,0|2,0,0]=4 8371 B13R1.442 C=CC(C)CC(=O)CCCC1CO1 1458a_100011934298_100000733510 [0,1,0,1,0,0|2,0,0]=4 8372 B13R1.442 C=CC(C)CC(=O)NCCC1CC1 1626a_100000764129_100011934298 [0,1,0,1,0,0|2,0,0]=4 8373 B13R1.442 C=CC(C)CC(=O)NCCC1CC1 240690a_100000764129_100011934298 [0,1,0,1,0,0|2,0,0]=4 8374 B13R1.442 C=CC(C)CC(=O)NCCC1CC1 527a_100000764129_100011934298 [0,1,0,1,0,0|2,0,0]=4 8375 B13R1.545 C=CC(C)CC(=O)CC1CCCC1 1458a_100011934298_100000740388 [0,1,0,1,0,0|1,0,0]=3 8376 B13R1.545 C=CC(C)CC(=O)CC1CCCO1 1458a_100011934298_100000203698 [0,1,0,1,0,0|2,0,0]=4 8377 B13R1.545 C=CC(C)CC(=O)CC1CCOC1 1458a_100011934298_100000702531 [0,1,0,1,0,0|2,0,0]=4 8378 B13R1.545 C=CC(C)CC(=O)NC1CCCC1 11a_100000211070_100011934298 [0,1,0,1,0,0|2,0,0]=4 8379 B13R1.545 C=CC(C)CC(=O)NC1CCCC1 1626a_100000211070_100011934298 [0,1,0,1,0,0|2,0,0]=4 8380 B13R1.545 C=CC(C)CC(=O)NC1CCCC1 240690a_100000211070_100011934298 [0,1,0,1,0,0|2,0,0]=4 8381 B13R1.545 C=CC(C)CC(=O)NC1CCCC1 527a_100000211070_100011934298 [0,1,0,1,0,0|2,0,0]=4 8382 B13R1.47 C=CCC(=O)C(=O)N1CCCCC1 1458a_200011297168_100000210623 [0,1,0,1,0,0|2,0,0]=4 8383 B13R1.47 C=CCC(C)C(=O)C1CCCCC1 1458a_100011216819_100000210327 [0,1,0,1,0,0|1,0,0]=3 8384 B13R1.47 C=CCC(C)C(=O)C1CCCOC1 1458a_100011216819_100000693364 [0,1,0,1,0,0|2,0,0]=4 8385 B13R1.47 C=CCC(C)C(=O)C1CCOCC1 1458a_100011216819_100011324220 [0,1,0,1,0,0|2,0,0]=4 8386 B13R1.47 C=CCN(C)C(=O)C1CCCCC1 11a_100000225617_100000210647 [0,1,0,1,0,0|1,0,0]=3 8387 B13R1.47 C=CCN(C)C(=O)C1CCCCC1 1626a_100000225617_100000210647 [0,1,0,1,0,0|1,0,0]=3 8388 B13R1.47 C=CCN(C)C(=O)C1CCCCC1 240690a_100000225617_100000210647 [0,1,0,1,0,0|1,0,0]=3 8389 B13R1.47 C=CCN(C)C(=O)C1CCCCC1 527a_100000225617_100000210647 [0,1,0,1,0,0|1,0,0]=3 8390 B13R1.47 C=CCN(C)C(=O)C1CCCCO1 11a_100000225617_100000748299 [0,1,0,1,0,0|2,0,0]=4 8391 B13R1.47 C=CCN(C)C(=O)C1CCCCO1 1626a_100000225617_100000748299 [0,1,0,1,0,0|2,0,0]=4 8392 B13R1.47 C=CCN(C)C(=O)C1CCCCO1 240690a_100000225617_100000748299 [0,1,0,1,0,0|2,0,0]=4 8393 B13R1.47 C=CCN(C)C(=O)C1CCCCO1 527a_100000225617_100000748299 [0,1,0,1,0,0|2,0,0]=4 8394 B13R1.47 C=CCN(C)C(=O)C1CCCOC1 11a_100000225617_100000741522 [0,1,0,1,0,0|2,0,0]=4 8395 B13R1.47 C=CCN(C)C(=O)C1CCCOC1 1626a_100000225617_100000741522 [0,1,0,1,0,0|2,0,0]=4 8396 B13R1.47 C=CCN(C)C(=O)C1CCCOC1 240690a_100000225617_100000741522 [0,1,0,1,0,0|2,0,0]=4 8397 B13R1.47 C=CCN(C)C(=O)C1CCCOC1 527a_100000225617_100000741522 [0,1,0,1,0,0|2,0,0]=4 8398 B13R1.47 C=CCN(C)C(=O)C1CCOCC1 11a_100000225617_100000195482 [0,1,0,1,0,0|2,0,0]=4 8399 B13R1.47 C=CCN(C)C(=O)C1CCOCC1 1626a_100000225617_100000195482 [0,1,0,1,0,0|2,0,0]=4 8400 B13R1.47 C=CCN(C)C(=O)C1CCOCC1 240690a_100000225617_100000195482 [0,1,0,1,0,0|2,0,0]=4 8401 B13R1.47 C=CCN(C)C(=O)C1CCOCC1 527a_100000225617_100000195482 [0,1,0,1,0,0|2,0,0]=4 8402 B13R1.47 C=CCN(C)C(=O)C1CCSCC1 11a_100000225617_100000755232 [0,1,0,1,0,0|2,0,0]=4 8403 B13R1.47 C=CCN(C)C(=O)C1CCSCC1 1626a_100000225617_100000755232 [0,1,0,1,0,0|2,0,0]=4 8404 B13R1.47 C=CCN(C)C(=O)C1CCSCC1 240690a_100000225617_100000755232 [0,1,0,1,0,0|2,0,0]=4 8405 B13R1.47 C=CCN(C)C(=O)C1CCSCC1 527a_100000225617_100000755232 [0,1,0,1,0,0|2,0,0]=4 8406 B13R1.66 C=CCC(C)C(=O)CC1CCCC1 1458a_100011216819_100000740388 [0,1,0,1,0,0|1,0,0]=3 8407 B13R1.66 C=CCC(C)C(=O)CC1CCCO1 1458a_100011216819_100000203698 [0,1,0,1,0,0|2,0,0]=4 8408 B13R1.66 C=CCC(C)C(=O)CC1CCOC1 1458a_100011216819_100000702531 [0,1,0,1,0,0|2,0,0]=4 8409 B13R1.66 C=CCC(C)C(=O)NC1CCCC1 11a_100000211070_100011216819 [0,1,0,1,0,0|2,0,0]=4 8410 B13R1.66 C=CCC(C)C(=O)NC1CCCC1 1626a_100000211070_100011216819 [0,1,0,1,0,0|2,0,0]=4 8411 B13R1.66 C=CCC(C)C(=O)NC1CCCC1 240690a_100000211070_100011216819 [0,1,0,1,0,0|2,0,0]=4 8412 B13R1.66 C=CCC(C)C(=O)NC1CCCC1 527a_100000211070_100011216819 [0,1,0,1,0,0|2,0,0]=4 8413 B13R1.66 C=CCN(C)C(=O)CC1CCCC1 11a_100000225617_100000210891 [0,1,0,1,0,0|1,0,0]=3 8414 B13R1.66 C=CCN(C)C(=O)CC1CCCC1 1626a_100000225617_100000210891 [0,1,0,1,0,0|1,0,0]=3 8415 B13R1.66 C=CCN(C)C(=O)CC1CCCC1 240690a_100000225617_100000210891 [0,1,0,1,0,0|1,0,0]=3 8416 B13R1.66 C=CCN(C)C(=O)CC1CCCC1 527a_100000225617_100000210891 [0,1,0,1,0,0|1,0,0]=3 8417 B13R1.66 C=CCN(C)C(=O)CC1CCOC1 11a_100000225617_100011218419 [0,1,0,1,0,0|2,0,0]=4 8418 B13R1.66 C=CCN(C)C(=O)CC1CCOC1 1626a_100000225617_100011218419 [0,1,0,1,0,0|2,0,0]=4 8419 B13R1.66 C=CCN(C)C(=O)CC1CCOC1 240690a_100000225617_100011218419 [0,1,0,1,0,0|2,0,0]=4 8420 B13R1.66 C=CCN(C)C(=O)CC1CCOC1 527a_100000225617_100011218419 [0,1,0,1,0,0|2,0,0]=4 8421 B13R1.66 C=CCN(C)C(=O)CN1CCCC1 240690a_100000225617_100000740243 [0,1,0,1,0,0|2,0,0]=4 8422 B13R1.66 C=CCN(C)C(=O)CN1CCCC1 527a_100000225617_100000740243 [0,1,0,1,0,0|2,0,0]=4 8423 B13R1.66 C=CCN(C)C(=O)NC1CCCC1 2708a_100000211070_100000225617 [0,1,0,1,0,0|2,0,0]=4 8424 B13R1.66 C=CCN(C)C(=O)NC1CCCC1 273464a_100000211070_100000225617 [0,1,0,1,0,0|2,0,0]=4 8425 B13R1.2909 C=CCC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100011216819 [0,1,0,1,0,0|2,0,0]=4 8426 B13R1.2909 C=CCC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100011216819 [0,1,0,1,0,0|2,0,0]=4 8427 B13R1.2909 C=CCC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100011216819 [0,1,0,1,0,0|2,0,0]=4 8428 B13R1.2909 C=CCC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100011216819 [0,1,0,1,0,0|2,0,0]=4 8429 B13R1.2909 C=CCC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100011216819 [0,1,0,1,0,0|2,0,0]=4 8430 B13R1.2909 C=CCN(C)C(=O)C1CCCC1C 11a_100000225617_100000690547 [0,1,0,1,0,0|1,0,0]=3 8431 B13R1.2909 C=CCN(C)C(=O)C1CCCC1C 1626a_100000225617_100000690547 [0,1,0,1,0,0|1,0,0]=3 8432 B13R1.2909 C=CCN(C)C(=O)C1CCCC1C 240690a_100000225617_100000690547 [0,1,0,1,0,0|1,0,0]=3 8433 B13R1.2909 C=CCN(C)C(=O)C1CCCC1C 527a_100000225617_100000690547 [0,1,0,1,0,0|1,0,0]=3 8434 B13R1.2909 C=CCN(C)C(=O)[C@@H]1CCCN1C 11a_100000225617_100009816429 [0,1,0,1,0,0|2,0,0]=4 8435 B13R1.2909 C=CCN(C)C(=O)[C@@H]1CCCN1C 240690a_100000225617_100009816429 [0,1,0,1,0,0|2,0,0]=4 8436 B13R1.2909 C=CCN(C)C(=O)[C@@H]1CCCN1C 527a_100000225617_100009816429 [0,1,0,1,0,0|2,0,0]=4 8437 B13R1.2919 C=C1CC(C1)C(=O)CCCCCC 1458a_100000065620_100000210757 [0,1,0,1,0,0|1,0,0]=3 8438 B13R1.2919 C=C1CC(C1)C(=O)CCCCCF 1458a_100000065620_100000729378 [0,1,0,1,0,0|2,0,0]=4 8439 B13R1.2919 C=C1CC(C1)C(=O)CCCCCO 1458a_100000065620_100000746330 [0,1,0,1,0,0|2,0,0]=4 8440 B13R1.2919 C=C1CC(C1)C(=O)CCCCOC 1458a_100000065620_100000755781 [0,1,0,1,0,0|2,0,0]=4 8441 B13R1.2919 C=C1CC(C1)C(=O)CCCOCC 1458a_100000065620_100012232248 [0,1,0,1,0,0|2,0,0]=4 8442 B13R1.2919 C=C1CC(C1)C(=O)CCOCCC 1458a_100000065620_100011215938 [0,1,0,1,0,0|2,0,0]=4 8443 B13R1.2919 C=C1CC(C1)C(=O)COCCCC 1458a_100000065620_100011995733 [0,1,0,1,0,0|2,0,0]=4 8444 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 11a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 8445 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 1626a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 8446 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 240690a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 8447 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 527a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 8448 B13R1.2919 CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210757 [0,1,0,1,0,0|2,0,0]=4 8449 B13R1.2966 C=CCC(C)C(=O)NCC1CCC1 11a_100000738700_100011216819 [0,1,0,1,0,0|2,0,0]=4 8450 B13R1.2966 C=CCC(C)C(=O)NCC1CCC1 1626a_100000738700_100011216819 [0,1,0,1,0,0|2,0,0]=4 8451 B13R1.2966 C=CCC(C)C(=O)NCC1CCC1 240690a_100000738700_100011216819 [0,1,0,1,0,0|2,0,0]=4 8452 B13R1.2966 C=CCC(C)C(=O)NCC1CCC1 527a_100000738700_100011216819 [0,1,0,1,0,0|2,0,0]=4 8453 B13R1.2966 C=CCN(C)C(=O)NCC1CCC1 2708a_100000738700_100000225617 [0,1,0,1,0,0|2,0,0]=4 8454 B13R1.2966 C=CCN(C)C(=O)NCC1CCC1 273464a_100000738700_100000225617 [0,1,0,1,0,0|2,0,0]=4 8455 B13R1.2967 C=CCC(C)C(=O)CCCC1CO1 1458a_100011216819_100000733510 [0,1,0,1,0,0|2,0,0]=4 8456 B13R1.2967 C=CCC(C)C(=O)NCCC1CC1 1626a_100000764129_100011216819 [0,1,0,1,0,0|2,0,0]=4 8457 B13R1.2967 C=CCC(C)C(=O)NCCC1CC1 240690a_100000764129_100011216819 [0,1,0,1,0,0|2,0,0]=4 8458 B13R1.2967 C=CCC(C)C(=O)NCCC1CC1 527a_100000764129_100011216819 [0,1,0,1,0,0|2,0,0]=4 8459 B13R1.2967 C=CCN(C)C(=O)CSCC1CC1 11a_100000225617_200011316215 [0,1,0,1,0,0|2,0,0]=4 8460 B13R1.2967 C=CCN(C)C(=O)CSCC1CC1 1626a_100000225617_200011316215 [0,1,0,1,0,0|2,0,0]=4 8461 B13R1.2967 C=CCN(C)C(=O)CSCC1CC1 240690a_100000225617_200011316215 [0,1,0,1,0,0|2,0,0]=4 8462 B13R1.2967 C=CCN(C)C(=O)CSCC1CC1 527a_100000225617_200011316215 [0,1,0,1,0,0|2,0,0]=4 8463 B13R1.2967 C=CCN(C)C(=O)NCCC1CC1 2708a_100000764129_100000225617 [0,1,0,1,0,0|2,0,0]=4 8464 B13R1.2967 C=CCN(C)C(=O)NCCC1CC1 273464a_100000764129_100000225617 [0,1,0,1,0,0|2,0,0]=4 8465 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [0,1,0,1,0,0|2,0,0]=4 8466 B13R1.682 C=CCCC(=O)N1CCC1COC 11a_100015195929_100000749702 [0,1,0,1,0,0|2,0,0]=4 8467 B13R1.682 C=CCCC(=O)N1CCC1COC 1626a_100015195929_100000749702 [0,1,0,1,0,0|2,0,0]=4 8468 B13R1.682 C=CCCC(=O)N1CCC1COC 240690a_100015195929_100000749702 [0,1,0,1,0,0|2,0,0]=4 8469 B13R1.682 C=CCCC(=O)N1CCC1COC 527a_100015195929_100000749702 [0,1,0,1,0,0|2,0,0]=4 8470 B13R1.682 C=CCNC(=O)N1CCC1COC 273464a_100020586998_100015195929 [0,1,0,1,0,0|2,0,0]=4 8471 B13R1.684 C=CC=CC(=O)N1CCCC1CC 1626a_100000754278_100016291481 [0,1,0,1,0,0|1,0,1]=4 8472 B13R1.684 C=CCCC(=O)C1CCCN1CC 1458a_106256033941_100000754431 [0,1,0,1,0,0|1,0,0]=3 8473 B13R1.684 C=CCCC(=O)N1CCCC1CC 11a_100000754278_100000749702 [0,1,0,1,0,0|1,0,0]=3 8474 B13R1.684 C=CCCC(=O)N1CCCC1CC 1626a_100000754278_100000749702 [0,1,0,1,0,0|1,0,0]=3 8475 B13R1.684 C=CCCC(=O)N1CCCC1CC 240690a_100000754278_100000749702 [0,1,0,1,0,0|1,0,0]=3 8476 B13R1.684 C=CCCC(=O)N1CCCC1CC 527a_100000754278_100000749702 [0,1,0,1,0,0|1,0,0]=3 8477 B13R1.684 C=CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000749702 [0,1,0,1,0,0|2,0,0]=4 8478 B13R1.684 C=CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000749702 [0,1,0,1,0,0|2,0,0]=4 8479 B13R1.684 C=CCNC(=O)C1CCCN1CC 240690a_100020586998_106256033941 [0,1,0,1,0,0|1,0,0]=3 8480 B13R1.684 C=CCNC(=O)C1CCCN1CC 527a_100020586998_106256033941 [0,1,0,1,0,0|1,0,0]=3 8481 B13R1.684 C=CCNC(=O)N1CCCC1CC 273464a_100020586998_100000754278 [0,1,0,1,0,0|1,0,0]=3 8482 B13R1.684 C=CCNC(=O)N1CCC[C@@H]1CO 273464a_100020586998_100000745186 [0,1,0,1,0,0|2,0,0]=4 8483 B13R1.1133 CCCCCNC1C(=O)CCC1=O 2230a_100000209983_100009820769 [0,1,0,1,0,0|2,0,0]=4 8484 B13R1.1133 CCCCCOC1C(=O)CCC1=O 7a_100000210253_100009820769 [0,1,0,1,0,0|2,0,0]=4 8485 B13R1.1133 CCCCCOC1C(=O)COC1=O 34a_100000210253_100000032967 [0,1,0,1,0,0|1,0,0]=3 8486 B13R1.1133 CCCCCSC1C(=O)CCC1=O 62a_100000210326_100009820769 [0,1,0,1,0,0|2,0,0]=4 8487 B13R1.1133 CCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210326 [0,1,0,1,0,0|2,0,0]=4 8488 B13R1.1133 CCCCCSC1C(=O)COC1=O 62a_100000210326_100000032967 [0,1,0,1,0,0|1,0,0]=3 8489 B13R1.1133 CCOCCNC1C(=O)COC1=O 34a_102516460346_100000032967 [0,1,0,1,0,0|2,0,0]=4 8490 B13R1.1133 CCOCCOC1C(=O)COC1=O 34a_100000210136_100000032967 [0,1,0,1,0,0|2,0,0]=4 8491 B13R1.1133 CCOCCSC1C(=O)COC1=O 62a_100000210147_100000032967 [0,1,0,1,0,0|2,0,0]=4 8492 B13R1.1133 CCSCCOC1C(=O)COC1=O 34a_100000212035_100000032967 [0,1,0,1,0,0|2,0,0]=4 8493 B13R1.1133 CCSCCSC1C(=O)COC1=O 62a_100000757381_100000032967 [0,1,0,1,0,0|2,0,0]=4 8494 B13R1.1133 CNCCCOC1C(=O)COC1=O 34a_100000213112_100000032967 [0,1,0,1,0,0|2,0,0]=4 8495 B13R1.1133 COCCCNC1C(=O)COC1=O 34a_100150723488_100000032967 [0,1,0,1,0,0|2,0,0]=4 8496 B13R1.1133 COCCCOC1C(=O)COC1=O 34a_100000740835_100000032967 [0,1,0,1,0,0|2,0,0]=4 8497 B13R1.1133 COCCCSC1C(=O)COC1=O 62a_100000709357_100000032967 [0,1,0,1,0,0|2,0,0]=4 8498 B13R1.1133 CSCCCOC1C(=O)COC1=O 34a_100000690336_100000032967 [0,1,0,1,0,0|2,0,0]=4 8499 B13R1.1133 NCCCCOC1C(=O)COC1=O 34a_100000750430_100000032967 [0,1,0,1,0,0|2,0,0]=4 8500 B13R1.1133 O=C1COC(=O)C1NCCCCO 34a_100000750430_100000032967 [0,1,0,1,0,0|2,0,0]=4 8501 B13R1.1133 O=C1COC(=O)C1OCCCCBr 34a_100011216708_100000032967 [0,1,0,1,0,0|2,0,0]=4 8502 B13R1.1133 O=C1COC(=O)C1OCCCCCl 34a_100000210776_100000032967 [0,1,0,1,0,0|2,0,0]=4 8503 B13R1.1133 O=C1COC(=O)C1OCCCCF 34a_100011995726_100000032967 [0,1,0,1,0,0|2,0,0]=4 8504 B13R1.1133 O=C1COC(=O)C1OCCCCI 34a_200012148704_100000032967 [0,1,0,1,0,0|2,0,0]=4 8505 B13R1.1133 O=C1COC(=O)C1SCCCCF 62a_100000729493_100000032967 [0,1,0,1,0,0|2,0,0]=4 8506 B13R1.1133 O=C1COC(=O)C1SCCCCO 62a_100000210776_100000032967 [0,1,0,1,0,0|2,0,0]=4 8507 B13R1.2488 C=CC=CC(=O)C1CCCCCC1 1458a_100016291481_100011217769 [0,1,0,1,0,0|1,0,1]=4 8508 B13R1.2488 C=CC=CC(=O)N1CCCCCC1 1626a_100000185865_100016291481 [0,1,0,1,0,0|1,0,1]=4 8509 B13R1.2488 C=CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000754431 [0,1,0,1,0,0|1,0,1]=4 8510 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749507_100000754431 [0,1,0,1,0,0|1,0,0]=3 8511 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749702_100011217769 [0,1,0,1,0,0|1,0,0]=3 8512 B13R1.2488 C=CCCC(=O)N1CCCCCC1 11a_100000185865_100000749702 [0,1,0,1,0,0|1,0,0]=3 8513 B13R1.2488 C=CCCC(=O)N1CCCCCC1 1626a_100000185865_100000749702 [0,1,0,1,0,0|1,0,0]=3 8514 B13R1.2488 C=CCCC(=O)N1CCCCCC1 240690a_100000185865_100000749702 [0,1,0,1,0,0|1,0,0]=3 8515 B13R1.2488 C=CCCC(=O)N1CCCCCC1 527a_100000185865_100000749702 [0,1,0,1,0,0|1,0,0]=3 8516 B13R1.2488 C=CCCC(=O)N1CCCOCC1 11a_100000685342_100000749702 [0,1,0,1,0,0|2,0,0]=4 8517 B13R1.2488 C=CCCC(=O)N1CCCOCC1 1626a_100000685342_100000749702 [0,1,0,1,0,0|2,0,0]=4 8518 B13R1.2488 C=CCCC(=O)N1CCCOCC1 240690a_100000685342_100000749702 [0,1,0,1,0,0|2,0,0]=4 8519 B13R1.2488 C=CCCC(=O)N1CCCOCC1 527a_100000685342_100000749702 [0,1,0,1,0,0|2,0,0]=4 8520 B13R1.2488 C=CCNC(=O)C1CCC=CCC1 1626a_100020586998_100000048548 [0,1,0,1,0,0|1,0,1]=4 8521 B13R1.2488 C=CCNC(=O)C1CCC=CCC1 240690a_100020586998_100000048548 [0,1,0,1,0,0|1,0,1]=4 8522 B13R1.2488 C=CCNC(=O)C1CCC=CCC1 527a_100020586998_100000048548 [0,1,0,1,0,0|1,0,1]=4 8523 B13R1.2488 C=CCNC(=O)C1CCCCCC1 1626a_100020586998_100000749507 [0,1,0,1,0,0|1,0,0]=3 8524 B13R1.2488 C=CCNC(=O)C1CCCCCC1 240690a_100020586998_100000749507 [0,1,0,1,0,0|1,0,0]=3 8525 B13R1.2488 C=CCNC(=O)C1CCCCCC1 527a_100020586998_100000749507 [0,1,0,1,0,0|1,0,0]=3 8526 B13R1.2488 C=CCNC(=O)N1CCCCCC1 273464a_100020586998_100000185865 [0,1,0,1,0,0|1,0,0]=3 8527 B13R1.2488 C=CCNC(=O)N1CCCOCC1 273464a_100020586998_100000685342 [0,1,0,1,0,0|2,0,0]=4 8528 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_100000210647_100000730704 [0,1,0,1,0,0|1,0,0]=3 8529 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_200000688413_100000210327 [0,1,0,1,0,0|1,0,0]=3 8530 B13R1.45 C=C(C)CCC(=O)C1CCCCO1 1458a_100000748299_100000730704 [0,1,0,1,0,0|2,0,0]=4 8531 B13R1.45 C=C(C)CCC(=O)C1CCCOC1 1458a_100000741522_100000730704 [0,1,0,1,0,0|2,0,0]=4 8532 B13R1.45 C=C(C)CCC(=O)C1CCCOC1 1458a_200000688413_100000693364 [0,1,0,1,0,0|2,0,0]=4 8533 B13R1.45 C=C(C)CCC(=O)C1CCOCC1 1458a_100000195482_100000730704 [0,1,0,1,0,0|2,0,0]=4 8534 B13R1.45 C=C(C)CCC(=O)C1CCOCC1 1458a_200000688413_100011324220 [0,1,0,1,0,0|2,0,0]=4 8535 B13R1.45 C=C(C)CCC(=O)C1CCSCC1 1458a_100000755232_100000730704 [0,1,0,1,0,0|2,0,0]=4 8536 B13R1.45 C=C(C)CNC(=O)C1CCCCC1 11a_100000765925_100000210647 [0,1,0,1,0,0|1,0,0]=3 8537 B13R1.45 C=C(C)CNC(=O)C1CCCCC1 1626a_100000765925_100000210647 [0,1,0,1,0,0|1,0,0]=3 8538 B13R1.45 C=C(C)CNC(=O)C1CCCCC1 240690a_100000765925_100000210647 [0,1,0,1,0,0|1,0,0]=3 8539 B13R1.45 C=C(C)CNC(=O)C1CCCCC1 527a_100000765925_100000210647 [0,1,0,1,0,0|1,0,0]=3 8540 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 11a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 8541 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 1626a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 8542 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 240690a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 8543 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 527a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 8544 B13R1.45 C=C(C)CNC(=O)C1CCCOC1 11a_100000765925_100000741522 [0,1,0,1,0,0|2,0,0]=4 8545 B13R1.45 C=C(C)CNC(=O)C1CCCOC1 1626a_100000765925_100000741522 [0,1,0,1,0,0|2,0,0]=4 8546 B13R1.45 C=C(C)CNC(=O)C1CCCOC1 240690a_100000765925_100000741522 [0,1,0,1,0,0|2,0,0]=4 8547 B13R1.45 C=C(C)CNC(=O)C1CCCOC1 527a_100000765925_100000741522 [0,1,0,1,0,0|2,0,0]=4 8548 B13R1.45 C=C(C)CNC(=O)C1CCOCC1 11a_100000765925_100000195482 [0,1,0,1,0,0|2,0,0]=4 8549 B13R1.45 C=C(C)CNC(=O)C1CCOCC1 1626a_100000765925_100000195482 [0,1,0,1,0,0|2,0,0]=4 8550 B13R1.45 C=C(C)CNC(=O)C1CCOCC1 240690a_100000765925_100000195482 [0,1,0,1,0,0|2,0,0]=4 8551 B13R1.45 C=C(C)CNC(=O)C1CCOCC1 527a_100000765925_100000195482 [0,1,0,1,0,0|2,0,0]=4 8552 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 11a_100000765925_100000755232 [0,1,0,1,0,0|2,0,0]=4 8553 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 1626a_100000765925_100000755232 [0,1,0,1,0,0|2,0,0]=4 8554 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 240690a_100000765925_100000755232 [0,1,0,1,0,0|2,0,0]=4 8555 B13R1.45 C=C(C)CNC(=O)C1CCSCC1 527a_100000765925_100000755232 [0,1,0,1,0,0|2,0,0]=4 8556 B13R1.45 C=C(C)COC(C)C1CCCCC1 34a_100011216961_100000748629 [0,1,0,1,0,0|1,0,1]=4 8557 B13R1.45 C=C(C)COC(C)C1CCCCC1 7a_100011216961_100000748629 [0,1,0,1,0,0|1,0,1]=4 8558 B13R1.45 C=C(F)COC(C)C1CCCCC1 34a_100011216961_100009893438 [0,1,0,1,0,0|1,0,1]=4 8559 B13R1.45 C=C(F)COC(C)C1CCCCC1 7a_100011216961_100000042424 [0,1,0,1,0,0|1,0,1]=4 8560 B13R1.45 CC(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200000210301 [0,1,0,1,0,0|1,0,1]=4 8561 B13R1.45 CC(=O)COC(=O)C1CCCCC1 1458a_100000070787_100009893799 [0,1,0,1,0,0|0,0,1]=3 8562 B13R1.45 CN(C)COC(=O)C1CCCCC1 2230a_100102631434_100009893799 [0,1,0,1,0,0|1,0,1]=4 8563 B13R1.45 CN(C)COC(=O)C1CCCCC1 269982a_100102631434_100009893799 [0,1,0,1,0,0|1,0,1]=4 8564 B13R1.45 NC(=O)CCC(=O)C1CCCCC1 1458a_100011215257_100000210327 [0,1,0,1,0,0|2,0,0]=4 8565 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 11a_100000711301_100000210647 [0,1,0,1,0,0|2,0,0]=4 8566 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 240690a_100000711301_100000210647 [0,1,0,1,0,0|2,0,0]=4 8567 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 527a_100000711301_100000210647 [0,1,0,1,0,0|2,0,0]=4 8568 B13R1.45 [13CH3]C(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200025704644 [0,1,0,1,0,0|1,0,1]=4 8569 B13R1.168 C=C(C)CCC(=O)C1CCCC1C 1458a_100000690547_100000730704 [0,1,0,1,0,0|1,0,0]=3 8570 B13R1.168 C=C(C)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_200000688413 [0,1,0,1,0,0|2,0,0]=4 8571 B13R1.168 C=C(C)CCC(=O)N1CCC[C@@H]1C 527a_100020605311_200000688413 [0,1,0,1,0,0|2,0,0]=4 8572 B13R1.168 C=C(C)CCC(=O)N1CCC[C@H]1C 11a_100015189458_200000688413 [0,1,0,1,0,0|2,0,0]=4 8573 B13R1.168 C=C(C)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_200000688413 [0,1,0,1,0,0|2,0,0]=4 8574 B13R1.168 C=C(C)CCC(=O)N1CCC[C@H]1C 527a_100015189458_200000688413 [0,1,0,1,0,0|2,0,0]=4 8575 B13R1.168 C=C(C)CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000730704 [0,1,0,1,0,0|2,0,0]=4 8576 B13R1.168 C=C(C)CNC(=O)C1CCCC1C 11a_100000765925_100000690547 [0,1,0,1,0,0|1,0,0]=3 8577 B13R1.168 C=C(C)CNC(=O)C1CCCC1C 1626a_100000765925_100000690547 [0,1,0,1,0,0|1,0,0]=3 8578 B13R1.168 C=C(C)CNC(=O)C1CCCC1C 240690a_100000765925_100000690547 [0,1,0,1,0,0|1,0,0]=3 8579 B13R1.168 C=C(C)CNC(=O)C1CCCC1C 527a_100000765925_100000690547 [0,1,0,1,0,0|1,0,0]=3 8580 B13R1.168 C=C(C)CNC(=O)N1CCC[C@@H]1C 2708a_100000765925_100020605311 [0,1,0,1,0,0|2,0,0]=4 8581 B13R1.168 C=C(C)CNC(=O)N1CCC[C@@H]1C 273464a_100000765925_100020605311 [0,1,0,1,0,0|2,0,0]=4 8582 B13R1.168 C=C(C)CNC(=O)N1CCC[C@H]1C 2708a_100000765925_100015189458 [0,1,0,1,0,0|2,0,0]=4 8583 B13R1.168 C=C(C)CNC(=O)N1CCC[C@H]1C 273464a_100000765925_100015189458 [0,1,0,1,0,0|2,0,0]=4 8584 B13R1.168 C=C(C)CNC(=O)[C@@H]1CCCN1C 11a_100000765925_100009816429 [0,1,0,1,0,0|2,0,0]=4 8585 B13R1.168 C=C(C)CNC(=O)[C@@H]1CCCN1C 240690a_100000765925_100009816429 [0,1,0,1,0,0|2,0,0]=4 8586 B13R1.168 C=C(C)CNC(=O)[C@@H]1CCCN1C 527a_100000765925_100009816429 [0,1,0,1,0,0|2,0,0]=4 8587 B13R1.168 CC1CCCC1C(=O)NCC(=O)N 11a_100000711301_100000690547 [0,1,0,1,0,0|2,0,0]=4 8588 B13R1.168 CC1CCCC1C(=O)NCC(=O)N 240690a_100000711301_100000690547 [0,1,0,1,0,0|2,0,0]=4 8589 B13R1.168 CC1CCCC1C(=O)NCC(=O)N 527a_100000711301_100000690547 [0,1,0,1,0,0|2,0,0]=4 8590 B13R1.344 C=C(C)CCC(=O)CC1CCCC1 1458a_100000210891_100000730704 [0,1,0,1,0,0|1,0,0]=3 8591 B13R1.344 C=C(C)CCC(=O)CC1CCCC1 1458a_200000688413_100000740388 [0,1,0,1,0,0|1,0,0]=3 8592 B13R1.344 C=C(C)CCC(=O)CC1CCCO1 1458a_200000688413_100000203698 [0,1,0,1,0,0|2,0,0]=4 8593 B13R1.344 C=C(C)CCC(=O)CC1CCOC1 1458a_100011218419_100000730704 [0,1,0,1,0,0|2,0,0]=4 8594 B13R1.344 C=C(C)CCC(=O)CC1CCOC1 1458a_200000688413_100000702531 [0,1,0,1,0,0|2,0,0]=4 8595 B13R1.344 C=C(C)CCC(=O)CN1CCCC1 1458a_100000740243_100000730704 [0,1,0,1,0,0|2,0,0]=4 8596 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 11a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 8597 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 1626a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 8598 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 240690a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 8599 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 527a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 8600 B13R1.344 C=C(C)CNC(=O)CC1CCCC1 11a_100000765925_100000210891 [0,1,0,1,0,0|1,0,0]=3 8601 B13R1.344 C=C(C)CNC(=O)CC1CCCC1 1626a_100000765925_100000210891 [0,1,0,1,0,0|1,0,0]=3 8602 B13R1.344 C=C(C)CNC(=O)CC1CCCC1 240690a_100000765925_100000210891 [0,1,0,1,0,0|1,0,0]=3 8603 B13R1.344 C=C(C)CNC(=O)CC1CCCC1 527a_100000765925_100000210891 [0,1,0,1,0,0|1,0,0]=3 8604 B13R1.344 C=C(C)CNC(=O)CC1CCOC1 11a_100000765925_100011218419 [0,1,0,1,0,0|2,0,0]=4 8605 B13R1.344 C=C(C)CNC(=O)CC1CCOC1 1626a_100000765925_100011218419 [0,1,0,1,0,0|2,0,0]=4 8606 B13R1.344 C=C(C)CNC(=O)CC1CCOC1 240690a_100000765925_100011218419 [0,1,0,1,0,0|2,0,0]=4 8607 B13R1.344 C=C(C)CNC(=O)CC1CCOC1 527a_100000765925_100011218419 [0,1,0,1,0,0|2,0,0]=4 8608 B13R1.344 C=C(C)CNC(=O)CN1CCCC1 240690a_100000765925_100000740243 [0,1,0,1,0,0|2,0,0]=4 8609 B13R1.344 C=C(C)CNC(=O)CN1CCCC1 527a_100000765925_100000740243 [0,1,0,1,0,0|2,0,0]=4 8610 B13R1.344 C=C(C)CNC(=O)NC1CCCC1 2708a_100000211070_100000765925 [0,1,0,1,0,0|2,0,0]=4 8611 B13R1.344 C=C(C)CNC(=O)NC1CCCC1 2708a_100000765925_100000211070 [0,1,0,1,0,0|2,0,0]=4 8612 B13R1.344 C=C(C)CNC(=O)NC1CCCC1 273464a_100000211070_100000765925 [0,1,0,1,0,0|2,0,0]=4 8613 B13R1.344 C=C(C)CNC(=O)NC1CCCC1 273464a_100000765925_100000211070 [0,1,0,1,0,0|2,0,0]=4 8614 B13R1.344 C=C(C)CNC(=O)NC1CCCC1 512a_100000211070_100000765925 [0,1,0,1,0,0|2,0,0]=4 8615 B13R1.344 C=C(C)CNC(=O)NC1CCCC1 512a_100000765925_100000211070 [0,1,0,1,0,0|2,0,0]=4 8616 B13R1.344 NC(=O)CCC(=O)CC1CCCC1 1458a_100011215257_100000740388 [0,1,0,1,0,0|2,0,0]=4 8617 B13R1.344 NC(=O)CNC(=O)CC1CCCC1 11a_100000711301_100000210891 [0,1,0,1,0,0|2,0,0]=4 8618 B13R1.344 NC(=O)CNC(=O)CC1CCCC1 240690a_100000711301_100000210891 [0,1,0,1,0,0|2,0,0]=4 8619 B13R1.344 NC(=O)CNC(=O)CC1CCCC1 527a_100000711301_100000210891 [0,1,0,1,0,0|2,0,0]=4 8620 B13R1.643 C=C(C)COC1CCCC(C1)CC 7a_100011985506_100000748629 [0,1,0,1,0,0|1,0,1]=4 8621 B13R1.643 C=C(F)COC1CCCC(C1)CC 7a_100011985506_100000042424 [0,1,0,1,0,0|1,0,1]=4 8622 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [0,1,0,1,0,0|1,0,1]=4 8623 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [0,1,0,1,0,0|1,0,1]=4 8624 B13R1.1022 C=C(F)COC1CCCCCCC1 34a_100000210054_100009893438 [0,1,0,1,0,0|1,0,1]=4 8625 B13R1.1022 C=C(F)COC1CCCCCCC1 7a_100000210054_100000042424 [0,1,0,1,0,0|1,0,1]=4 8626 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 11a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 8627 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 1626a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 8628 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 240690a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 8629 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 527a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 8630 B13R1.1054 C=C(C)CNC(=O)NCC1CCC1 2708a_100000738700_100000765925 [0,1,0,1,0,0|2,0,0]=4 8631 B13R1.1054 C=C(C)CNC(=O)NCC1CCC1 2708a_100000765925_100000738700 [0,1,0,1,0,0|2,0,0]=4 8632 B13R1.1054 C=C(C)CNC(=O)NCC1CCC1 273464a_100000738700_100000765925 [0,1,0,1,0,0|2,0,0]=4 8633 B13R1.1054 C=C(C)CNC(=O)NCC1CCC1 273464a_100000765925_100000738700 [0,1,0,1,0,0|2,0,0]=4 8634 B13R1.1054 C=C(C)CNC(=O)NCC1CCC1 512a_100000738700_100000765925 [0,1,0,1,0,0|2,0,0]=4 8635 B13R1.1054 C=C(C)CNC(=O)NCC1CCC1 512a_100000765925_100000738700 [0,1,0,1,0,0|2,0,0]=4 8636 B13R1.1055 C=C(C)CCC(=O)CCCC1CO1 1458a_200000688413_100000733510 [0,1,0,1,0,0|2,0,0]=4 8637 B13R1.1055 C=C(C)CCC(=O)CSCC1CC1 1458a_200011316215_100000730704 [0,1,0,1,0,0|2,0,0]=4 8638 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 1626a_100000764129_200000688413 [0,1,0,1,0,0|2,0,0]=4 8639 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 240690a_100000764129_200000688413 [0,1,0,1,0,0|2,0,0]=4 8640 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 527a_100000764129_200000688413 [0,1,0,1,0,0|2,0,0]=4 8641 B13R1.1055 C=C(C)CNC(=O)CSCC1CC1 11a_100000765925_200011316215 [0,1,0,1,0,0|2,0,0]=4 8642 B13R1.1055 C=C(C)CNC(=O)CSCC1CC1 1626a_100000765925_200011316215 [0,1,0,1,0,0|2,0,0]=4 8643 B13R1.1055 C=C(C)CNC(=O)CSCC1CC1 240690a_100000765925_200011316215 [0,1,0,1,0,0|2,0,0]=4 8644 B13R1.1055 C=C(C)CNC(=O)CSCC1CC1 527a_100000765925_200011316215 [0,1,0,1,0,0|2,0,0]=4 8645 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 2708a_100000764129_100000765925 [0,1,0,1,0,0|2,0,0]=4 8646 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 2708a_100000765925_100000764129 [0,1,0,1,0,0|2,0,0]=4 8647 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 273464a_100000764129_100000765925 [0,1,0,1,0,0|2,0,0]=4 8648 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 273464a_100000765925_100000764129 [0,1,0,1,0,0|2,0,0]=4 8649 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 512a_100000764129_100000765925 [0,1,0,1,0,0|2,0,0]=4 8650 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 512a_100000765925_100000764129 [0,1,0,1,0,0|2,0,0]=4 8651 B13R1.8682 C=C(C)COC1(CCCCCC1)C 34a_100000708895_100000748629 [0,1,0,1,0,0|1,0,1]=4 8652 B13R1.8682 C=C(C)COC1(CCCCCC1)C 7a_100000708895_100000748629 [0,1,0,1,0,0|1,0,1]=4 8653 B13R1.8682 C=C(F)COC1(CCCCCC1)C 34a_100000708895_100009893438 [0,1,0,1,0,0|1,0,1]=4 8654 B13R1.8682 C=C(F)COC1(CCCCCC1)C 7a_100000708895_100000042424 [0,1,0,1,0,0|1,0,1]=4 8655 B13R1.122 C=CCNS(=O)(=O)C1CCCCC1 270084a_100020586998_100011219266 [0,1,0,1,0,0|2,0,0]=4 8656 B13R1.122 C=CCNS(=O)(=O)C1CCCCC1 274078a_100020586998_100011219266 [0,1,0,1,0,0|2,0,0]=4 8657 B13R1.3578 C=CCNS(=O)(=O)CC1CCCC1 270084a_100020586998_100000688727 [0,1,0,1,0,0|2,0,0]=4 8658 B13R1.3578 C=CCNS(=O)(=O)CC1CCCC1 274078a_100020586998_100000688727 [0,1,0,1,0,0|2,0,0]=4 8659 B13R1.166 C=CCCC(=O)C(C)N1CCCC1 1458a_100025750167_100000754431 [0,1,0,1,0,0|2,0,0]=4 8660 B13R1.166 C=CCCC(=O)N(C)C1CCCC1 11a_100000207505_100000749702 [0,1,0,1,0,0|2,0,0]=4 8661 B13R1.166 C=CCCC(=O)N(C)C1CCCC1 1626a_100000207505_100000749702 [0,1,0,1,0,0|2,0,0]=4 8662 B13R1.166 C=CCCC(=O)N(C)C1CCCC1 240690a_100000207505_100000749702 [0,1,0,1,0,0|2,0,0]=4 8663 B13R1.166 C=CCCC(=O)N(C)C1CCCC1 527a_100000207505_100000749702 [0,1,0,1,0,0|2,0,0]=4 8664 B13R1.166 C=CCNC(=O)C(C)N1CCCC1 2230a_100000188435_100000230288 [0,1,0,1,0,0|2,0,0]=4 8665 B13R1.166 C=CCNC(=O)C(C)N1CCCC1 240690a_100020586998_100025750167 [0,1,0,1,0,0|2,0,0]=4 8666 B13R1.166 C=CCNC(=O)C(C)N1CCCC1 269982a_100000188435_100000230288 [0,1,0,1,0,0|2,0,0]=4 8667 B13R1.166 C=CCNC(=O)C(C)N1CCCC1 527a_100020586998_100025750167 [0,1,0,1,0,0|2,0,0]=4 8668 B13R1.166 C=CCNC(=O)N(C)C1CCCC1 273464a_100020586998_100000207505 [0,1,0,1,0,0|2,0,0]=4 8669 B13R1.2522 C=CCCC(=O)C1(CCCCC1)C 1458a_100000762840_100000754431 [0,1,0,1,0,0|1,0,0]=3 8670 B13R1.2522 C=CCCC(=O)C1(CCCCC1)F 1458a_100000069003_100000754431 [0,1,0,1,0,0|1,0,0]=3 8671 B13R1.2522 C=CCCC(=O)C1(CCCCC1)O 1458a_100000242742_100000754431 [0,1,0,1,0,0|1,0,0]=3 8672 B13R1.2522 C=CCCC(=O)C1(CCOCC1)C 1458a_100000749465_100000754431 [0,1,0,1,0,0|2,0,0]=4 8673 B13R1.2522 C=CCCC(=O)C1(CCOCC1)F 1458a_100009845733_100000754431 [0,1,0,1,0,0|2,0,0]=4 8674 B13R1.2522 C=CCCC(=O)C1(CCOCC1)O 1458a_100000751969_100000754431 [0,1,0,1,0,0|2,0,0]=4 8675 B13R1.2522 C=CCNC(=O)C1(CCCCC1)C 1626a_100020586998_100000762840 [0,1,0,1,0,0|1,0,0]=3 8676 B13R1.2522 C=CCNC(=O)C1(CCCCC1)C 240690a_100020586998_100000762840 [0,1,0,1,0,0|1,0,0]=3 8677 B13R1.2522 C=CCNC(=O)C1(CCCCC1)C 527a_100020586998_100000762840 [0,1,0,1,0,0|1,0,0]=3 8678 B13R1.2522 C=CCNC(=O)C1(CCCCC1)F 1626a_100020586998_100000069003 [0,1,0,1,0,0|1,0,0]=3 8679 B13R1.2522 C=CCNC(=O)C1(CCCCC1)F 240690a_100020586998_100000069003 [0,1,0,1,0,0|1,0,0]=3 8680 B13R1.2522 C=CCNC(=O)C1(CCCCC1)F 527a_100020586998_100000069003 [0,1,0,1,0,0|1,0,0]=3 8681 B13R1.2522 C=CCNC(=O)C1(CCCCC1)O 240690a_100020586998_100000242742 [0,1,0,1,0,0|1,0,0]=3 8682 B13R1.2522 C=CCNC(=O)C1(CCOCC1)C 1626a_100020586998_100000749465 [0,1,0,1,0,0|2,0,0]=4 8683 B13R1.2522 C=CCNC(=O)C1(CCOCC1)C 240690a_100020586998_100000749465 [0,1,0,1,0,0|2,0,0]=4 8684 B13R1.2522 C=CCNC(=O)C1(CCOCC1)C 527a_100020586998_100000749465 [0,1,0,1,0,0|2,0,0]=4 8685 B13R1.2522 C=CCNC(=O)C1(CCOCC1)F 1626a_100020586998_100009845733 [0,1,0,1,0,0|2,0,0]=4 8686 B13R1.2522 C=CCNC(=O)C1(CCOCC1)F 240690a_100020586998_100009845733 [0,1,0,1,0,0|2,0,0]=4 8687 B13R1.2522 C=CCNC(=O)C1(CCOCC1)F 527a_100020586998_100009845733 [0,1,0,1,0,0|2,0,0]=4 8688 B13R1.2522 C=CCNC(=O)C1(CCOCC1)O 240690a_100020586998_100000751969 [0,1,0,1,0,0|2,0,0]=4 8689 B13R1.3554 C=CCCC(=O)N(C)CC1CCC1 11a_200000750244_100000749702 [0,1,0,1,0,0|2,0,0]=4 8690 B13R1.3554 C=CCCC(=O)N(C)CC1CCC1 1626a_200000750244_100000749702 [0,1,0,1,0,0|2,0,0]=4 8691 B13R1.3554 C=CCCC(=O)N(C)CC1CCC1 240690a_200000750244_100000749702 [0,1,0,1,0,0|2,0,0]=4 8692 B13R1.3554 C=CCCC(=O)N(C)CC1CCC1 527a_200000750244_100000749702 [0,1,0,1,0,0|2,0,0]=4 8693 B13R1.3554 C=CCNC(=O)C(C)NC1CCC1 2230a_100000749019_100000230288 [0,1,0,1,0,0|2,0,0]=4 8694 B13R1.3554 C=CCNC(=O)C(C)SC1CCC1 62a_100000230288_100000749161 [0,1,0,1,0,0|2,0,0]=4 8695 B13R1.3554 C=CCNC(=O)N(C)CC1CCC1 273464a_100020586998_200000750244 [0,1,0,1,0,0|2,0,0]=4 8696 B13R1.3555 C=CCNC(=O)C(C)NCC1CC1 2230a_100000735609_100000230288 [0,1,0,1,0,0|2,0,0]=4 8697 B13R1.3555 C=CCNC(=O)C(C)SCC1CC1 62a_100000230288_100000742324 [0,1,0,1,0,0|2,0,0]=4 8698 B13R1.3555 C=CCNC(=O)C(C)SCC1CC1 62a_100000756562_100000230288 [0,1,0,1,0,0|2,0,0]=4 8699 B13R1.3556 C=CCNC(=O)C(C)N1CCC1C 269982a_100000755817_100000230288 [0,1,0,1,0,0|2,0,0]=4 8700 B13R2.2205 C=CCCC(=O)C1C2C1COC2 1458a_100000138910_100000754431 [0,0,0,2,0,0|2,0,0]=4 8701 B13R2.2205 C=CCNC(=O)C1C2C1COC2 1626a_100020586998_100000138910 [0,0,0,2,0,0|2,0,0]=4 8702 B13R2.2205 C=CCNC(=O)C1C2C1COC2 240690a_100020586998_100000138910 [0,0,0,2,0,0|2,0,0]=4 8703 B13R2.2205 C=CCNC(=O)C1C2C1COC2 527a_100020586998_100000138910 [0,0,0,2,0,0|2,0,0]=4 8704 B13R2.2214 C=CCCC(=O)N1CC2CC2C1 11a_100000741873_100000749702 [0,0,0,2,0,0|2,0,0]=4 8705 B13R2.2214 C=CCCC(=O)N1CC2CC2C1 1626a_100000741873_100000749702 [0,0,0,2,0,0|2,0,0]=4 8706 B13R2.2214 C=CCCC(=O)N1CC2CC2C1 240690a_100000741873_100000749702 [0,0,0,2,0,0|2,0,0]=4 8707 B13R2.2214 C=CCCC(=O)N1CC2CC2C1 527a_100000741873_100000749702 [0,0,0,2,0,0|2,0,0]=4 8708 B13R2.2214 C=CCNC(=O)N1CC2CC2C1 273464a_100020586998_100000741873 [0,0,0,2,0,0|2,0,0]=4 8709 B13R2.3042 O=C1COC(=O)C1N2CCCC2 269982a_100000188435_100000032967 [0,0,0,2,0,0|2,0,0]=4 8710 B13R2.3068 O=C1COC(=O)C1NC2CCC2 34a_100000749019_100000032967 [0,0,0,2,0,0|2,0,0]=4 8711 B13R2.3068 O=C1COC(=O)C1OC2CCC2 34a_100000748187_100000032967 [0,0,0,2,0,0|2,0,0]=4 8712 B13R2.6740 C=CCCC(=O)C1CC12CCC2 1458a_100000687150_100000754431 [0,0,0,2,0,0|1,0,0]=3 8713 B13R2.6740 C=CCNC(=O)C1CC12CCC2 1626a_100020586998_100000687150 [0,0,0,2,0,0|1,0,0]=3 8714 B13R2.6740 C=CCNC(=O)C1CC12CCC2 240690a_100020586998_100000687150 [0,0,0,2,0,0|1,0,0]=3 8715 B13R2.6740 C=CCNC(=O)C1CC12CCC2 527a_100020586998_100000687150 [0,0,0,2,0,0|1,0,0]=3 8716 B13R2.2350 O=C1COC(=O)C1NCC2CC2 34a_100000735609_100000032967 [0,0,0,2,0,0|2,0,0]=4 8717 B13R2.2350 O=C1COC(=O)C1OCC2CC2 34a_100000211283_100000032967 [0,0,0,2,0,0|2,0,0]=4 8718 B13R2.2350 O=C1COC(=O)C1SCC2CC2 62a_100000756562_100000032967 [0,0,0,2,0,0|2,0,0]=4 8719 B13R2.5376 CC1CCN1C2C(=O)COC2=O 269982a_100000755817_100000032967 [0,0,0,2,0,0|2,0,0]=4 8720 B13R2.5376 CC1CCN1C2C(=O)COC2=O 34a_100000755817_100000032967 [0,0,0,2,0,0|2,0,0]=4