0 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,0|3,0,0]=3 45 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,0,0,0,0,0|4,0,0]=4 63 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,0,0|3,0,0]=3 69 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,0,0,0,0,0|4,0,0]=4 90 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,0,0,0,0,0|4,0,0]=4 92 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,0,0,0,0,0|4,0,0]=4 94 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,0,0,0,0,0|4,0,0]=4 95 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,0,0,0,0,0|4,0,0]=4 96 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,0,0,0,0,0|4,0,0]=4 97 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,0,0|3,0,0]=3 98 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,0,0,0,0,0|4,0,0]=4 104 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,0,0,0,0,0|2,0,0]=2 105 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,0,0,0,0,0|3,0,0]=3 106 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.9 O=C(CF)CC[N+](=O)[O-] 1458a_200000064761_100015361967 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,2]=4 118 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|2,0,0]=3 121 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,0,0,0,0,0|2,0,0]=3 122 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|3,0,0]=4 124 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,0,0,0,0,0|3,0,0]=4 132 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|3,0,0]=4 144 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|3,0,0]=4 145 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|3,0,0]=4 153 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|3,0,0]=4 155 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|1,0,1]=3 159 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|3,0,0]=4 176 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|3,0,0]=4 177 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|3,0,0]=4 178 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|3,0,0]=4 179 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|3,0,0]=4 180 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|3,0,0]=4 181 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 182 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|3,0,0]=4 183 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 184 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|3,0,0]=4 191 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 194 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 195 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|1,0,2]=4 198 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,1]=4 200 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 201 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,0|2,0,0]=3 203 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,0|2,0,0]=3 204 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,0|2,0,0]=3 205 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,0,0,0,0,0|3,0,0]=4 207 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,0,0,0,0,0|3,0,0]=4 208 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,0,0,0,0,0|3,0,0]=4 209 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,0|2,0,1]=4 211 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,0|2,0,1]=4 212 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|1,0,0]=2 213 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,0|2,0,1]=4 214 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|1,0,1]=3 216 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,0|3,0,0]=4 217 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,0,0,0,0,0|1,0,1]=3 218 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,0|3,0,0]=4 219 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,0,0,0,0|2,0,0]=3 221 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,0,0|2,0,0]=3 222 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,0,0,0,0|2,0,0]=3 224 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,0,0,0,0|2,0,0]=3 225 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,0,0,0,0|2,0,0]=3 226 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,0,0|2,0,0]=3 227 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,0|2,0,1]=4 228 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,0|2,0,1]=4 229 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,0,0|2,0,0]=3 232 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,0,0|2,0,0]=3 233 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,0|2,0,1]=4 234 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|2,0,1]=4 235 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|1,0,0]=2 241 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,0,0,0,0,0|1,0,1]=3 242 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|3,0,0]=4 244 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|3,0,0]=4 245 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,1,0,0,0,0|3,0,0]=4 246 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [0,1,0,0,0,0|3,0,0]=4 247 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,1,0,0,0,0|3,0,0]=4 248 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,1,0,0,0,0|3,0,0]=4 249 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,0|3,0,0]=4 252 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,0|3,0,0]=4 253 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,0|3,0,0]=4 254 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,0|3,0,0]=4 255 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,0|2,0,0]=3 256 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,0|3,0,0]=4 259 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,0|3,0,0]=4 260 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,0|3,0,0]=4 261 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|3,0,0]=4 262 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [0,1,0,0,0,0|3,0,0]=4 263 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [0,1,0,0,0,0|3,0,0]=4 264 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [0,1,0,0,0,0|3,0,0]=4 265 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,0|2,0,1]=4 266 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,1,0,0,0,0|2,0,1]=4 267 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,1,0,0,0,0|2,0,1]=4 268 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|2,0,1]=4 269 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,1,0,0,0,0|3,0,0]=4 271 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,1,0,0,0,0|3,0,0]=4 272 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|3,0,0]=4 273 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,1,0,0,0,0|3,0,0]=4 274 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,1,0,0,0,0|3,0,0]=4 275 B9R0.7 NC(=O)CNC(=O)C(=O)N 240690a_100000711301_100011215815 [0,1,0,0,0,0|2,0,1]=4 276 B9R0.7 NC(=O)CNC(=O)C(F)F 11a_100000711301_100000210393 [0,1,0,0,0,0|3,0,0]=4 277 B9R0.7 NC(=O)CNC(=O)C(F)F 240690a_100000711301_100000210393 [0,1,0,0,0,0|3,0,0]=4 278 B9R0.7 NC(=O)CNC(=O)C(F)F 527a_100000711301_100000210393 [0,1,0,0,0,0|3,0,0]=4 279 B9R0.7 NC(=O)CNC(=O)C(O)O 240690a_100000711301_100000233687 [0,1,0,0,0,0|3,0,0]=4 280 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.21 CCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210202 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.21 CCC(=O)CCS(=O)(=O)[O-] 1458a_100000210414_100000762736 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.21 CS(=O)(=O)CCC(=O)CF 1458a_100000737124_100015361967 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [0,1,0,0,0,0|2,0,1]=4 286 B9R0.21 NS(=O)(=O)CCC(=O)CF 1458a_100000737202_100015361967 [0,1,0,0,0,0|2,0,1]=4 287 B9R0.21 O=C(CO)CCS(=O)(=O)[O-] 1458a_100000210174_100000762736 [0,1,0,0,0,0|2,0,1]=4 288 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [0,1,0,0,0,0|3,0,0]=4 289 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,0,0,0,0|3,0,0]=4 290 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,1,0,0,0,0|3,0,0]=4 291 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,1,0,0,0,0|3,0,0]=4 292 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,1,0,0,0,0|3,0,0]=4 293 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,1,0,0,0,0|3,0,0]=4 294 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,1,0,0,0,0|3,0,0]=4 295 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,1,0,0,0,0|3,0,0]=4 296 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,1,0,0,0,0|3,0,0]=4 297 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [0,1,0,0,0,0|3,0,0]=4 298 B9R0.24 C=CC(=O)NCC(=O)CF 1458a_200011222540_100015361967 [0,1,0,0,0,0|3,0,0]=4 299 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,0,0,0,0|2,0,0]=3 300 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|1,0,0]=2 301 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|2,0,0]=3 304 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,1,0,0,0,0|3,0,0]=4 305 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,1,0,0,0,0|3,0,0]=4 306 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,1,0,0,0,0|3,0,0]=4 307 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,1,0,0,0,0|3,0,0]=4 308 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,1,0,0,0,0|3,0,0]=4 309 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,1,0,0,0,0|3,0,0]=4 310 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,1,0,0,0,0|3,0,0]=4 311 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,1,0,0,0,0|3,0,0]=4 312 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|2,0,0]=3 313 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [0,1,0,0,0,0|3,0,0]=4 314 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|3,0,0]=4 315 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|3,0,0]=4 316 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|3,0,0]=4 317 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|3,0,0]=4 318 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|3,0,0]=4 319 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|3,0,0]=4 320 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|3,0,0]=4 321 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,1,0,0,0,0|3,0,0]=4 322 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,1,0,0,0,0|3,0,0]=4 323 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 324 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 325 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 326 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,1,0,0,0,0|2,0,0]=3 327 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,1,0,0,0,0|3,0,0]=4 328 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,1,0,0,0,0|3,0,0]=4 329 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,1,0,0,0,0|3,0,0]=4 330 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,1,0,0,0,0|3,0,0]=4 331 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,0,0,0,0|2,0,0]=3 332 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,0,0,0,0|2,0,0]=3 333 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,0,0,0,0|2,0,0]=3 334 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,0,0,0,0|2,0,0]=3 335 B9R0.24 CNC(=O)CNC(=O)CO 240690a_100000693194_100000210174 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.24 CNC(=O)CNC(=O)CO 527a_100000693194_100000210174 [0,1,0,0,0,0|3,0,0]=4 337 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,1,0,0,0,0|3,0,0]=4 338 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,1,0,0,0,0|3,0,0]=4 339 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,1,0,0,0,0|3,0,0]=4 340 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,1,0,0,0,0|3,0,0]=4 341 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,0,0,0,0|1,0,0]=2 342 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,0|3,0,0]=4 343 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,1,0,0,0,0|2,0,0]=3 344 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 345 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,1,0,0,0,0|2,0,0]=3 346 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,0|2,0,1]=4 347 B9R0.42 CC(=O)N(C)CC(=O)CF 1458a_100000194957_100015361967 [0,1,0,0,0,0|3,0,0]=4 348 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|2,0,1]=4 349 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,1,0,0,0,0|3,0,0]=4 350 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,1,0,0,0,0|3,0,0]=4 351 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,1,0,0,0,0|3,0,0]=4 354 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,1,0,0,0,0|3,0,0]=4 355 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.42 CN(CC(=O)CF)C(=O)N 1458a_100000218718_100015361967 [0,1,0,0,0,0|3,0,0]=4 357 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,1,0,0,0,0|3,0,0]=4 360 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,1,0,0,0,0|3,0,0]=4 361 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_100011220946_100000730704 [0,1,0,0,0,0|3,0,0]=4 362 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_200000688413_100000184674 [0,1,0,0,0,0|3,0,0]=4 363 B9R0.48 C#CCC(=O)CCC(=O)N 1458a_100011215257_100000184674 [0,1,0,0,0,0|2,0,0]=3 364 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,1,0,0,0,0|2,0,1]=4 365 B9R0.48 C#CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000184674 [0,1,0,0,0,0|2,0,1]=4 366 B9R0.48 C#CCC(=O)CNC(=O)C 1458a_100000194580_100000184674 [0,1,0,0,0,0|3,0,0]=4 367 B9R0.48 C#CCC(=O)CNC(=O)N 1458a_100000184981_100000184674 [0,1,0,0,0,0|3,0,0]=4 368 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,1,0,0,0,0|3,0,0]=4 369 B9R0.48 C#CCC(=O)CSC(=O)C 1458a_100000049016_100000184674 [0,1,0,0,0,0|3,0,0]=4 370 B9R0.48 C#CCC(=O)NCC(=O)N 527a_100000711301_100011220946 [0,1,0,0,0,0|3,0,0]=4 371 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_100051588842_100000730704 [0,1,0,0,0,0|2,0,1]=4 372 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_200000688413_100011214920 [0,1,0,0,0,0|2,0,1]=4 373 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|3,0,0]=4 374 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|3,0,0]=4 375 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,1,0,0,0,0|3,0,0]=4 376 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,1,0,0,0,0|3,0,0]=4 377 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,1,0,0,0,0|3,0,0]=4 378 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,1,0,0,0,0|3,0,0]=4 379 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|3,0,0]=4 380 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,0,0,0,0|3,0,0]=4 381 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,0,0,0,0|3,0,0]=4 382 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,0,0,0,0|3,0,0]=4 383 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,1,0,0,0,0|3,0,0]=4 384 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,1,0,0,0,0|3,0,0]=4 385 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,1,0,0,0,0|3,0,0]=4 386 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,1,0,0,0,0|2,0,0]=3 387 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,1,0,0,0,0|2,0,1]=4 388 B9R0.48 C=CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210623 [0,1,0,0,0,0|2,0,1]=4 389 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,1,0,0,0,0|3,0,0]=4 390 B9R0.48 C=CCC(=O)CNC(=O)N 1458a_100000184981_100000210623 [0,1,0,0,0,0|3,0,0]=4 391 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,1,0,0,0,0|3,0,0]=4 392 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,1,0,0,0,0|3,0,0]=4 393 B9R0.48 C=CCC(=O)NCC(=O)N 11a_100000711301_100000210193 [0,1,0,0,0,0|3,0,0]=4 394 B9R0.48 C=CCC(=O)NCC(=O)N 240690a_100000711301_100000210193 [0,1,0,0,0,0|3,0,0]=4 395 B9R0.48 C=CCC(=O)NCC(=O)N 527a_100000711301_100000210193 [0,1,0,0,0,0|3,0,0]=4 396 B9R0.48 CC(=O)NCC(=O)CC#N 1458a_100000194580_100011214920 [0,1,0,0,0,0|2,0,1]=4 397 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,1,0,0,0,0|3,0,0]=4 398 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,1,0,0,0,0|3,0,0]=4 399 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,1,0,0,0,0|2,0,1]=4 400 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,1,0,0,0,0|3,0,0]=4 401 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,1,0,0,0,0|3,0,0]=4 402 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,1,0,0,0,0|3,0,0]=4 403 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,1,0,0,0,0|3,0,0]=4 404 B9R0.48 CC(=O)SCC(=O)CC#N 1458a_100000049016_100011214920 [0,1,0,0,0,0|2,0,1]=4 405 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,1,0,0,0,0|3,0,0]=4 406 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,1,0,0,0,0|3,0,0]=4 407 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,1,0,0,0,0|1,0,2]=4 408 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,1,0,0,0,0|2,0,1]=4 409 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|2,0,0]=3 410 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|2,0,1]=4 411 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,0,0,0,0|2,0,1]=4 412 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|3,0,0]=4 413 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,1,0,0,0,0|3,0,0]=4 414 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|3,0,0]=4 415 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|3,0,0]=4 416 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 417 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 418 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 419 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|3,0,0]=4 420 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|2,0,0]=3 421 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,0,0,0,0|2,0,0]=3 422 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,0,0,0,0|2,0,0]=3 423 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|2,0,0]=3 424 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,1,0,0,0,0|2,0,1]=4 425 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,1,0,0,0,0|2,0,1]=4 426 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,1,0,0,0,0|3,0,0]=4 427 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,1,0,0,0,0|3,0,0]=4 428 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,1,0,0,0,0|3,0,0]=4 429 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,1,0,0,0,0|3,0,0]=4 430 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,1,0,0,0,0|3,0,0]=4 431 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,1,0,0,0,0|3,0,0]=4 432 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,1,0,0,0,0|3,0,0]=4 433 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,1,0,0,0,0|3,0,0]=4 434 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,1,0,0,0,0|3,0,0]=4 435 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,0,0,0,0|3,0,0]=4 436 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,0,0,0,0|3,0,0]=4 437 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,1,0,0,0,0|3,0,0]=4 438 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,1,0,0,0,0|3,0,0]=4 439 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,1,0,0,0,0|3,0,0]=4 440 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 441 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,1,0,0,0,0|3,0,0]=4 442 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 443 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 444 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|2,0,0]=3 445 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|2,0,0]=3 446 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,0,0,0,0|3,0,0]=4 447 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|3,0,0]=4 449 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,1,0,0,0,0|2,0,0]=3 450 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,0,0,0,0|1,0,0]=2 451 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,1,0,0,0,0|3,0,0]=4 452 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,1,0,0,0,0|3,0,0]=4 453 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,1,0,0,0,0|2,0,0]=3 454 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,1,0,0,0,0|3,0,0]=4 455 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,1,0,0,0,0|3,0,0]=4 456 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,1,0,0,0,0|3,0,0]=4 458 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,1,0,0,0,0|3,0,0]=4 459 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,1,0,0,0,0|2,0,1]=4 460 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,1,0,0,0,0|3,0,0]=4 462 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,1,0,0,0,0|3,0,0]=4 463 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,1,0,0,0,0|3,0,0]=4 464 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,1,0,0,0,0|2,0,1]=4 465 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,1,0,0,0,0|3,0,0]=4 467 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,1,0,0,0,0|3,0,0]=4 468 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,1,0,0,0,0|3,0,0]=4 469 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,1,0,0,0,0|3,0,0]=4 470 B9R0.48 N#CCC(=O)CCC(=O)N 1458a_100011215257_100011214920 [0,1,0,0,0,0|1,0,1]=3 471 B9R0.48 N#CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011214920 [0,1,0,0,0,0|1,0,2]=4 472 B9R0.48 N#CCC(=O)CNC(=O)N 1458a_100000184981_100011214920 [0,1,0,0,0,0|2,0,1]=4 473 B9R0.48 N#CCC(=O)NCC(=O)N 240690a_100000711301_100051588842 [0,1,0,0,0,0|2,0,1]=4 474 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,0,0,0,0|2,0,0]=3 475 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,0,0,0,0|2,0,0]=3 476 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,1,0,0,0,0|3,0,0]=4 477 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,1,0,0,0,0|3,0,0]=4 478 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,1,0,0,0,0|3,0,0]=4 479 B9R0.48 O=C(CCF)CC[N+](=O)[O-] 1458a_200000064761_100011217306 [0,1,0,0,0,0|2,0,1]=4 480 B9R0.48 O=C(CCO)CC[N+](=O)[O-] 1458a_200000064761_100000211926 [0,1,0,0,0,0|2,0,1]=4 481 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,0,0,0,0|1,0,0]=2 482 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,0|3,0,0]=4 484 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,0|3,0,0]=4 485 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,0|3,0,0]=4 486 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,0|3,0,0]=4 487 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,0|3,0,0]=4 488 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,0|3,0,0]=4 489 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,1,0,0|2,0,1]=4 490 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,0,0,1,0,0|2,0,1]=4 491 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,0,0,1,0,0|3,0,0]=4 492 B9R1.82 C=C1CC(C1)C(=O)CF 1458a_100000065620_100015361967 [0,0,0,1,0,0|3,0,0]=4 493 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,0,0,1,0,0|2,0,0]=3 494 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,0,0,1,0,0|2,0,1]=4 495 B9R1.82 CNC(=O)[C@@H]1CC(=O)N1 527a_100102657272_100016090685 [0,0,0,1,0,0|3,0,0]=4 496 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,0,0,1,0,0|2,0,1]=4 497 B9R1.82 O=C1C[C@H](N1)C(=O)CF 1458a_100016090685_100015361967 [0,0,0,1,0,0|2,0,0]=3 498 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [0,0,0,0,1,0|2,0,1]=4 499 B7R0.2 C#CC(=O)CC(=O)[O-] 1458a_100000211873_100020667443 [0,0,0,0,1,0|1,0,2]=4 500 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,1,0|3,0,0]=4 501 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,0,0,0,1,0|3,0,0]=4 502 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,0,0,1,0|3,0,0]=4 503 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,0,0,0,1,0|3,0,0]=4 504 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,0,0,0,1,0|2,0,1]=4 505 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,0,0,0,1,0|1,0,2]=4 506 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,0,0,1,0|2,0,1]=4 507 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,1,0|2,0,0]=3 508 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,1,0|2,0,0]=3 509 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,1,0|2,0,0]=3 510 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,1,0|1,0,1]=3 511 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,1,0|2,0,1]=4 512 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,1,0|2,0,1]=4 513 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,0,0,0,1,0|2,0,1]=4 514 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,1,0|3,0,0]=4 515 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,1,0|3,0,0]=4 516 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,1,0|3,0,0]=4 517 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,1,0|3,0,0]=4 518 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,1,0|3,0,0]=4 519 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,1,0|3,0,0]=4 520 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,1,0|3,0,0]=4 521 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,1,0|3,0,0]=4 522 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,1,0|3,0,0]=4 523 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,1,0|3,0,0]=4 524 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,0,0,0,1,0|2,0,1]=4 525 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,0,0,0,1,0|2,0,0]=3 526 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,0,0,0,1,0|2,0,0]=3 527 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [0,0,0,0,1,0|2,0,1]=4 528 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,0,0,0,1,0|1,0,1]=3 529 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,0,0,0,0,1|2,0,1]=4 530 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [0,0,0,0,0,1|2,0,1]=4 531 B9R0.1 C#CC(=O)CCNC(=O)C 1458a_100000211873_100000189650 [0,0,0,0,0,1|2,0,1]=4 532 B9R0.1 C#CC(=O)CCNC(=O)N 1458a_100000211873_200000034859 [0,0,0,0,0,1|2,0,1]=4 533 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [0,0,0,0,0,1|2,0,1]=4 534 B9R0.1 C#CC(=O)CCOC(=O)N 1458a_100000211873_200011214921 [0,0,0,0,0,1|2,0,1]=4 535 B9R0.1 C=C(C#N)CNCC(=O)O 269956a_100016091260_100000694840 [0,0,0,0,0,1|1,0,2]=4 536 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,0,0,0,0,1|3,0,0]=4 537 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,0,0,0,0,1|3,0,0]=4 538 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,0,0,0,0,1|3,0,0]=4 539 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [0,0,0,0,0,1|3,0,0]=4 540 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,0,0,0,0,1|3,0,0]=4 541 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,0,0,0,0,1|3,0,0]=4 542 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,0,0,0,0,1|2,0,1]=4 543 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,0,0,0,0,1|2,0,1]=4 544 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,0,0,0,0,1|2,0,1]=4 545 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,0,0,0,0,1|2,0,1]=4 546 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,0,0,0,0,1|2,0,1]=4 547 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,0,0,0,0,1|2,0,1]=4 548 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,0,0,0,0,1|2,0,1]=4 549 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,0,0,0,0,1|2,0,1]=4 550 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,0,0,0,0,1|2,0,1]=4 551 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,0,0,0,0,1|2,0,1]=4 552 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,0,0,0,0,1|3,0,0]=4 553 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,0,0,0,0,1|2,0,0]=3 554 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,0,0,0,0,1|2,0,0]=3 555 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,0,0,0,0,1|2,0,0]=3 556 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,0,0,0,0,1|2,0,0]=3 557 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,0,0,0,0,1|2,0,0]=3 558 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,0,0,0,0,1|2,0,1]=4 559 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,0,0,0,0,1|1,0,2]=4 560 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,1|2,0,1]=4 561 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,0,0,0,0,1|2,0,1]=4 562 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,0,0,0,0,1|2,0,1]=4 563 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,0,0,0,0,1|2,0,1]=4 564 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,0,0,0,1|3,0,0]=4 565 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,0,0,0,0,1|3,0,0]=4 566 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,0,0,0,0,1|2,0,0]=3 567 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,0,0,0,0,1|2,0,0]=3 568 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,0,0,0,0,1|2,0,1]=4 569 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,0,0,0,0,1|2,0,1]=4 570 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [0,0,0,0,0,1|3,0,0]=4 571 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,0,0,0,0,1|2,0,0]=3 572 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,0,0,0,0,1|2,0,0]=3 573 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,0,0,0,0,1|2,0,0]=3 574 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,0,0,0,0,1|2,0,0]=3 575 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,0,0,0,0,1|2,0,0]=3 576 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,0,0,0,0,1|2,0,0]=3 577 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,0,0,0,0,1|2,0,0]=3 578 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,0,0,0,0,1|1,0,0]=2 579 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,0,0,0,0,1|2,0,0]=3 580 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,0,0,0,0,1|2,0,0]=3 581 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,0,0,0,0,1|1,0,1]=3 582 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,0,0,0,0,1|2,0,1]=4 583 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,0,0,0,0,1|2,0,1]=4 584 B9R0.1 CCC(=O)COC[N+](=O)[O-] 34a_100000725409_100000761209 [0,0,0,0,0,1|2,0,1]=4 585 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,0,0,0,0,1|2,0,0]=3 586 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,0,0,0,0,1|2,0,0]=3 587 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,0,0,0,0,1|1,0,1]=3 588 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,0,0,0,0,1|1,0,1]=3 589 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,0,0,0,0,1|2,0,1]=4 590 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,0,0,0,0,1|2,0,1]=4 591 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,0,0,0,0,1|2,0,1]=4 592 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,0,0,0,0,1|2,0,1]=4 593 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [0,0,0,0,0,1|2,0,1]=4 594 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,0,0,0,0,1|2,0,0]=3 595 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,0,0,0,0,1|2,0,0]=3 596 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,0,0,0,0,1|2,0,0]=3 597 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,0,0,0,0,1|2,0,1]=4 598 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,0,0,0,0,1|2,0,1]=4 599 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,0,0,0,0,1|2,0,1]=4 600 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,0,0,0,0,1|1,0,2]=4 601 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,0,0,0,0,1|3,0,0]=4 602 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,0,0,0,0,1|2,0,1]=4 603 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,0,0,0,0,1|3,0,0]=4 604 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,0,0,0,0,1|3,0,0]=4 605 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,0,0,0,0,1|3,0,0]=4 606 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,0,0,0,0,1|3,0,0]=4 607 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,0,0,0,0,1|3,0,0]=4 608 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,0,0,0,0,1|3,0,0]=4 609 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,0,0,0,0,1|3,0,0]=4 610 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,0,0,0,0,1|3,0,0]=4 611 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,0,0,0,0,1|3,0,0]=4 612 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [0,0,0,0,0,1|3,0,0]=4 613 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [0,0,0,0,0,1|3,0,0]=4 614 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,0,0,0,0,1|3,0,0]=4 615 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,0,0,0,0,1|3,0,0]=4 616 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [0,0,0,0,0,1|3,0,0]=4 617 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [0,0,0,0,0,1|3,0,0]=4 618 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,0,0,0,0,1|2,0,0]=3 619 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,0,0,0,0,1|3,0,0]=4 620 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [0,0,0,0,0,1|3,0,0]=4 621 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [0,0,0,0,0,1|3,0,0]=4 622 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [0,0,0,0,0,1|3,0,0]=4 623 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [0,0,0,0,0,1|3,0,0]=4 624 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [0,0,0,0,0,1|2,0,1]=4 625 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [0,0,0,0,0,1|3,0,0]=4 626 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [0,0,0,0,0,1|3,0,0]=4 627 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [0,0,0,0,0,1|3,0,0]=4 628 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [0,0,0,0,0,1|3,0,0]=4 629 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [0,0,0,0,0,1|3,0,0]=4 630 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [0,0,0,0,0,1|2,0,1]=4 631 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [0,0,0,0,0,1|2,0,1]=4 632 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [0,0,0,0,0,1|3,0,0]=4 633 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [0,0,0,0,0,1|3,0,0]=4 634 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [0,0,0,0,0,1|3,0,0]=4 635 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [0,0,0,0,0,1|3,0,0]=4 636 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,0,0,0,0,1|3,0,0]=4 637 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,0,0,0,0,1|3,0,0]=4 638 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,0,0,0,0,1|3,0,0]=4 639 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,0,0,0,0,1|3,0,0]=4 640 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,0,0,0,0,1|3,0,0]=4 641 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,0,0,0,0,1|3,0,0]=4 642 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,0,0,0,0,1|2,0,0]=3 643 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,0,0,0,0,1|3,0,0]=4 644 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,0,0,0,0,1|3,0,0]=4 645 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,0,0,0,0,1|3,0,0]=4 646 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,0,0,0,0,1|3,0,0]=4 647 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,0,0,0,0,1|3,0,0]=4 648 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,0,0,0,0,1|2,0,1]=4 649 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,0,0,0,0,1|2,0,1]=4 650 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,0,0,0,0,1|2,0,1]=4 651 B9R0.1 NC(=NCCC(=O)CF)N 1458a_100000033030_100015361967 [0,0,0,0,0,1|3,0,0]=4 652 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,0,0,0,0,1|2,0,0]=3 653 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,0,0,0,0,1|2,0,0]=3 654 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,0,0,0,0,1|2,0,0]=3 655 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [0,0,0,0,0,1|2,0,0]=3 656 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [0,0,0,0,0,1|2,0,0]=3 657 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,0,0,0,0,1|2,0,0]=3 658 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,0,0,0,0,1|2,0,0]=3 659 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,0,0,0,0,1|2,0,1]=4 660 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,0,0,0,0,1|1,0,2]=4 661 B9R0.1 O=C(CF)CCC[N+](=O)[O-] 1458a_100016109205_100015361967 [0,0,0,0,0,1|2,0,1]=4 662 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [0,0,0,0,0,1|3,0,0]=4 663 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,0,0,0,0,1|1,0,2]=4 664 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,0,0,0,0,1|1,0,2]=4 665 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,0,0,0,0,1|1,0,2]=4 666 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [2,0,0,0,0,0|1,0,1]=4 667 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|1,0,1]=4 668 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|1,0,1]=4 669 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|1,0,1]=4 670 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [2,0,0,0,0,0|1,0,1]=4 671 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [2,0,0,0,0,0|1,0,1]=4 672 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|2,0,0]=4 673 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 674 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 675 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,1]=4 676 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,1]=4 677 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 678 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,1]=4 679 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 680 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|1,0,0]=3 681 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 682 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|1,0,0]=3 683 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|1,0,1]=4 684 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|1,0,1]=4 685 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|1,0,1]=4 686 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|1,0,1]=4 687 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|1,0,0]=3 688 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|1,0,0]=3 689 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|1,0,0]=3 690 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|2,0,0]=4 691 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|2,0,0]=4 692 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|2,0,0]=4 693 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 694 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 695 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 696 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|0,0,1]=3 697 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 698 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 699 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 700 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 701 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|1,0,1]=4 702 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|1,0,1]=4 703 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|1,0,1]=4 704 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|1,0,1]=4 705 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|1,0,1]=4 706 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,1]=4 707 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,1]=4 708 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,1]=4 709 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 710 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 711 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 712 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 713 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 714 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 715 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 716 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 717 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 718 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 719 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 720 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 721 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 722 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 723 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 724 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 725 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 726 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 727 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 728 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 729 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 730 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 731 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 732 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 733 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 734 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 735 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 736 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 737 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|1,0,1]=4 738 B8R0.1 C#CCC(=O)CCC=C 1458a_100000749702_100000184674 [1,1,0,0,0,0|2,0,0]=4 739 B8R0.1 C#CCC(=O)CCC=C 1458a_100011220946_100000754431 [1,1,0,0,0,0|2,0,0]=4 740 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [1,1,0,0,0,0|1,0,1]=4 741 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,1,0,0,0,0|1,0,1]=4 742 B8R0.1 C=CCCC(=O)CC#N 1458a_100000749702_100011214920 [1,1,0,0,0,0|1,0,1]=4 743 B8R0.1 C=CCCC(=O)CC#N 1458a_100051588842_100000754431 [1,1,0,0,0,0|1,0,1]=4 744 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [1,1,0,0,0,0|2,0,0]=4 745 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [1,1,0,0,0,0|2,0,0]=4 746 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|2,0,0]=4 747 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|2,0,0]=4 748 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [1,1,0,0,0,0|2,0,0]=4 749 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,1,0,0,0,0|2,0,0]=4 750 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,1,0,0,0,0|2,0,0]=4 751 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [1,1,0,0,0,0|2,0,0]=4 752 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [1,1,0,0,0,0|2,0,0]=4 753 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,1,0,0,0,0|2,0,0]=4 754 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,1,0,0,0,0|2,0,0]=4 755 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,1,0,0,0,0|2,0,0]=4 756 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [1,1,0,0,0,0|2,0,0]=4 757 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [1,1,0,0,0,0|2,0,0]=4 758 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [1,1,0,0,0,0|2,0,0]=4 759 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [1,1,0,0,0,0|2,0,0]=4 760 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [1,1,0,0,0,0|2,0,0]=4 762 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,1]=4 763 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,1]=4 764 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|1,0,1]=4 765 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [1,1,0,0,0,0|0,0,2]=4 766 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,1]=4 767 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [1,1,0,0,0,0|2,0,0]=4 768 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [1,1,0,0,0,0|2,0,0]=4 769 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|1,0,1]=4 770 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,1]=4 771 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|2,0,0]=4 772 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|2,0,0]=4 773 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [1,1,0,0,0,0|2,0,0]=4 774 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,1,0,0,0,0|2,0,0]=4 775 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 776 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 777 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 778 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,1,0,0,0,0|2,0,0]=4 779 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [1,1,0,0,0,0|2,0,0]=4 780 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [1,1,0,0,0,0|2,0,0]=4 781 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,1,0,0,0,0|2,0,0]=4 782 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [1,1,0,0,0,0|2,0,0]=4 783 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [1,1,0,0,0,0|2,0,0]=4 784 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [1,1,0,0,0,0|2,0,0]=4 785 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [1,1,0,0,0,0|2,0,0]=4 786 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,1,0,0,0,0|2,0,0]=4 787 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [1,1,0,0,0,0|2,0,0]=4 788 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|1,0,1]=4 789 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|1,0,1]=4 790 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|1,0,1]=4 791 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,1]=4 792 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,1]=4 793 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,0]=3 794 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,1]=4 795 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,1]=4 796 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,0]=3 797 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,0]=3 798 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,1,0,0,0,0|1,0,1]=4 799 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,1,0,0,0,0|1,0,1]=4 800 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 801 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 802 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [1,1,0,0,0,0|2,0,0]=4 803 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [1,1,0,0,0,0|2,0,0]=4 804 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [1,1,0,0,0,0|2,0,0]=4 805 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [1,1,0,0,0,0|2,0,0]=4 806 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,1,0,0,0,0|2,0,0]=4 807 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,1,0,0,0,0|2,0,0]=4 808 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|1,0,1]=4 809 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,1]=4 810 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [1,1,0,0,0,0|1,0,1]=4 811 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|1,0,1]=4 812 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|1,0,1]=4 813 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [1,1,0,0,0,0|1,0,1]=4 814 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 815 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|1,0,1]=4 816 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|1,0,1]=4 817 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [1,1,0,0,0,0|1,0,1]=4 818 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,1,0,0,0,0|2,0,0]=4 819 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,1,0,0,0,0|2,0,0]=4 820 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [1,1,0,0,0,0|2,0,0]=4 821 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [1,1,0,0,0,0|2,0,0]=4 822 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [1,1,0,0,0,0|2,0,0]=4 823 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [1,1,0,0,0,0|2,0,0]=4 824 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|1,0,1]=4 825 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|1,0,1]=4 826 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 827 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 828 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [1,1,0,0,0,0|1,0,1]=4 829 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|2,0,0]=4 830 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [1,1,0,0,0,0|2,0,0]=4 831 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 832 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,1]=4 833 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|1,0,1]=4 834 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|2,0,0]=4 835 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,1]=4 836 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|2,0,0]=4 837 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 838 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 839 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,1]=4 840 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,1]=4 841 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|1,0,1]=4 842 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|0,0,2]=4 843 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|1,0,1]=4 844 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,1]=4 845 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|1,0,1]=4 846 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,1]=4 847 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,1]=4 848 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|1,0,1]=4 849 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [1,1,0,0,0,0|2,0,0]=4 850 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [1,1,0,0,0,0|2,0,0]=4 851 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [1,1,0,0,0,0|2,0,0]=4 852 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [1,1,0,0,0,0|2,0,0]=4 853 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [1,1,0,0,0,0|2,0,0]=4 854 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [1,1,0,0,0,0|2,0,0]=4 855 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [1,1,0,0,0,0|2,0,0]=4 856 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [1,1,0,0,0,0|2,0,0]=4 857 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [1,1,0,0,0,0|2,0,0]=4 858 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [1,1,0,0,0,0|2,0,0]=4 860 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [1,1,0,0,0,0|2,0,0]=4 861 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [1,1,0,0,0,0|2,0,0]=4 862 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [1,1,0,0,0,0|2,0,0]=4 863 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [1,1,0,0,0,0|1,0,1]=4 864 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [1,1,0,0,0,0|1,0,1]=4 865 B8R0.29 CC(=O)CCS(=O)(=O)N 1458a_100000737202_200000210301 [1,1,0,0,0,0|1,0,1]=4 866 B8R0.29 CC(=O)CCS(=O)(=O)[O-] 1458a_100000070787_100000762736 [1,1,0,0,0,0|1,0,1]=4 867 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [1,1,0,0,0,0|1,0,1]=4 868 B8R0.29 [13CH3]C(=O)CCS(=O)(=O)N 1458a_100000737202_200025704644 [1,1,0,0,0,0|1,0,1]=4 869 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,1,0|2,0,0]=4 870 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,1,0,0,1,0|2,0,0]=4 871 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,1,0|2,0,0]=4 872 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,1,0|2,0,0]=4 873 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,1,0|2,0,0]=4 874 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,1,0|2,0,0]=4 875 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,1,0|1,0,1]=4 876 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,1,0,0,1,0|2,0,0]=4 877 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [0,1,0,0,1,0|1,0,1]=4 878 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,1,0,0,0,1|2,0,0]=4 879 B10R0.3 C#CCC(=O)CCCC(=O)N 1458a_100011220946_100102525003 [0,1,0,0,0,1|2,0,0]=4 880 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100000183196_100000184674 [0,1,0,0,0,1|2,0,0]=4 881 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100011220946_100000189650 [0,1,0,0,0,1|2,0,0]=4 882 B10R0.3 C#CCC(=O)CCNC(=O)N 1458a_100000181464_100000184674 [0,1,0,0,0,1|2,0,0]=4 883 B10R0.3 C#CCC(=O)CCNC(=O)N 1458a_100011220946_200000034859 [0,1,0,0,0,1|2,0,0]=4 884 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,1,0,0,0,1|2,0,0]=4 885 B10R0.3 C#CCC(=O)CCOC(=O)N 1458a_100011220946_200011214921 [0,1,0,0,0,1|2,0,0]=4 886 B10R0.3 C#CCC(=O)CCSC(=O)C 1458a_100000048949_100000184674 [0,1,0,0,0,1|2,0,0]=4 887 B10R0.3 C#CCC(=O)COCC(=O)N 1458a_100011219004_100000184674 [0,1,0,0,0,1|2,0,0]=4 888 B10R0.3 C#CCC(=O)NCCC(=O)N 527a_100000740010_100011220946 [0,1,0,0,0,1|2,0,0]=4 889 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,1,0,0,0,1|2,0,0]=4 890 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [0,1,0,0,0,1|2,0,0]=4 891 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,1,0,0,0,1|2,0,0]=4 892 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,1,0,0,0,1|2,0,0]=4 893 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000181464_100000210623 [0,1,0,0,0,1|2,0,0]=4 894 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000210193_200000034859 [0,1,0,0,0,1|2,0,0]=4 895 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,1,0,0,0,1|2,0,0]=4 896 B10R0.3 C=CCC(=O)CCOC(=O)N 1458a_100000210193_200011214921 [0,1,0,0,0,1|2,0,0]=4 897 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,1,0,0,0,1|2,0,0]=4 898 B10R0.3 C=CCC(=O)COCC(=O)N 1458a_100011219004_100000210623 [0,1,0,0,0,1|2,0,0]=4 899 B10R0.3 C=CCC(=O)NCCC(=O)N 11a_100000740010_100000210193 [0,1,0,0,0,1|2,0,0]=4 900 B10R0.3 C=CCC(=O)NCCC(=O)N 240690a_100000740010_100000210193 [0,1,0,0,0,1|2,0,0]=4 901 B10R0.3 C=CCC(=O)NCCC(=O)N 527a_100000740010_100000210193 [0,1,0,0,0,1|2,0,0]=4 902 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,1,0,0,0,1|1,0,1]=4 903 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,1,0,0,0,1|1,0,1]=4 904 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,1|2,0,0]=4 905 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [0,1,0,0,0,1|2,0,0]=4 906 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100000183196_100011214920 [0,1,0,0,0,1|1,0,1]=4 907 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100051588842_100000189650 [0,1,0,0,0,1|1,0,1]=4 908 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,1,0,0,0,1|2,0,0]=4 909 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,1,0,0,0,1|2,0,0]=4 910 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,1,0,0,0,1|2,0,0]=4 911 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,1,0,0,0,1|1,0,1]=4 912 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,1,0,0,0,1|2,0,0]=4 913 B10R0.3 CC(=O)SCCC(=O)CC#N 1458a_100000048949_100011214920 [0,1,0,0,0,1|1,0,1]=4 914 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,1,0,0,0,1|2,0,0]=4 915 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,1,0,0,0,1|2,0,0]=4 916 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,1|2,0,0]=4 917 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,1|2,0,0]=4 918 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,1|2,0,0]=4 919 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,1|2,0,0]=4 920 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,1,0,0,0,1|2,0,0]=4 921 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,1,0,0,0,1|2,0,0]=4 922 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,1|2,0,0]=4 923 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,0,0,0,1|2,0,0]=4 924 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,1|2,0,0]=4 925 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,1,0,0,0,1|2,0,0]=4 926 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,0,0,0,1|1,0,0]=3 927 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,1,0,0,0,1|2,0,0]=4 928 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,1,0,0,0,1|2,0,0]=4 929 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,1,0,0,0,1|2,0,0]=4 930 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,1,0,0,0,1|1,0,1]=4 931 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,1,0,0,0,1|1,0,1]=4 932 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,1,0,0,0,1|2,0,0]=4 933 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,1,0,0,0,1|2,0,0]=4 934 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,1,0,0,0,1|2,0,0]=4 935 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,1|2,0,0]=4 936 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,1|2,0,0]=4 937 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,1,0,0,0,1|2,0,0]=4 938 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,1,0,0,0,1|2,0,0]=4 939 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,1,0,0,0,1|2,0,0]=4 940 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,1,0,0,0,1|2,0,0]=4 941 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,1,0,0,0,1|2,0,0]=4 942 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,1,0,0,0,1|2,0,0]=4 943 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,1,0,0,0,1|2,0,0]=4 944 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,1,0,0,0,1|2,0,0]=4 945 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,1,0,0,0,1|2,0,0]=4 946 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,1,0,0,0,1|2,0,0]=4 947 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,1,0,0,0,1|2,0,0]=4 948 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,1,0,0,0,1|2,0,0]=4 949 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,1,0,0,0,1|1,0,0]=3 950 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,1,0,0,0,1|2,0,0]=4 951 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,1,0,0,0,1|2,0,0]=4 952 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,1,0,0,0,1|2,0,0]=4 953 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,1,0,0,0,1|2,0,0]=4 954 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,1,0,0,0,1|2,0,0]=4 955 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,1,0,0,0,1|2,0,0]=4 956 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,1,0,0,0,1|2,0,0]=4 957 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,1,0,0,0,1|2,0,0]=4 958 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,1,0,0,0,1|1,0,1]=4 959 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,1,0,0,0,1|1,0,1]=4 960 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,1,0,0,0,1|2,0,0]=4 961 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,1,0,0,0,1|2,0,0]=4 962 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,1,0,0,0,1|2,0,0]=4 963 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,1,0,0,0,1|2,0,0]=4 964 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,1|2,0,0]=4 965 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,1|2,0,0]=4 966 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,1|2,0,0]=4 967 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,1|2,0,0]=4 968 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,1,0,0,0,1|2,0,0]=4 969 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,1|1,0,0]=3 970 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,1,0,0,0,1|2,0,0]=4 971 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,1,0,0,0,1|2,0,0]=4 972 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,1,0,0,0,1|2,0,0]=4 973 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,1,0,0,0,1|1,0,1]=4 974 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,1,0,0,0,1|1,0,1]=4 975 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,1|2,0,0]=4 976 B10R0.3 CNCC(=O)NCCC(=O)N 2230a_200138414118_200000210301 [0,1,0,0,0,1|1,0,0]=3 977 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,1,0,0,0,1|2,0,0]=4 978 B10R0.3 CNNC(=O)CCNC(=O)N 22a_100016993582_100000181464 [0,1,0,0,0,1|2,0,0]=4 979 B10R0.3 CNNC(=O)COCC(=O)N 22a_100016993582_100011219004 [0,1,0,0,0,1|2,0,0]=4 980 B10R0.3 CNNC(=O)CSCC(=O)N 22a_100016993582_100000150265 [0,1,0,0,0,1|2,0,0]=4 981 B10R0.3 CNNC(=O)NCCC(=O)N 273464a_100000740010_100016993582 [0,1,0,0,0,1|2,0,0]=4 982 B10R0.3 CNNC(=O)NCCC(=O)N 512a_100016993582_100000740010 [0,1,0,0,0,1|2,0,0]=4 983 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,1|2,0,0]=4 984 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,1,0,0,0,1|2,0,0]=4 985 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,1,0,0,0,1|2,0,0]=4 986 B10R0.3 COCC(=O)CCNC(=O)N 1458a_100000210968_200000034859 [0,1,0,0,0,1|2,0,0]=4 987 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,1,0,0,0,1|2,0,0]=4 988 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,1,0,0,0,1|2,0,0]=4 989 B10R0.3 COCC(=O)NCCC(=O)N 11a_100000740010_100000210968 [0,1,0,0,0,1|2,0,0]=4 990 B10R0.3 COCC(=O)NCCC(=O)N 240690a_100000740010_100000210968 [0,1,0,0,0,1|2,0,0]=4 991 B10R0.3 COCC(=O)NCCC(=O)N 527a_100000740010_100000210968 [0,1,0,0,0,1|2,0,0]=4 992 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,1|2,0,0]=4 993 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,1,0,0,0,1|2,0,0]=4 994 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,1,0,0,0,1|2,0,0]=4 995 B10R0.3 CSCC(=O)CCNC(=O)N 1458a_100000184570_200000034859 [0,1,0,0,0,1|2,0,0]=4 996 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,1,0,0,0,1|2,0,0]=4 997 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,1,0,0,0,1|2,0,0]=4 998 B10R0.3 CSCC(=O)NCCC(=O)N 11a_100000740010_100000184570 [0,1,0,0,0,1|2,0,0]=4 999 B10R0.3 CSCC(=O)NCCC(=O)N 240690a_100000740010_100000184570 [0,1,0,0,0,1|2,0,0]=4 1000 B10R0.3 CSCC(=O)NCCC(=O)N 527a_100000740010_100000184570 [0,1,0,0,0,1|2,0,0]=4 1001 B10R0.3 N#CCC(=O)CCCC(=O)N 1458a_100051588842_100102525003 [0,1,0,0,0,1|1,0,1]=4 1002 B10R0.3 N#CCC(=O)CCNC(=O)N 1458a_100000181464_100011214920 [0,1,0,0,0,1|1,0,1]=4 1003 B10R0.3 N#CCC(=O)CCNC(=O)N 1458a_100051588842_200000034859 [0,1,0,0,0,1|1,0,1]=4 1004 B10R0.3 N#CCC(=O)CCOC(=O)N 1458a_100051588842_200011214921 [0,1,0,0,0,1|1,0,1]=4 1005 B10R0.3 N#CCC(=O)COCC(=O)N 1458a_100011219004_100011214920 [0,1,0,0,0,1|1,0,1]=4 1006 B10R0.3 N#CCC(=O)NCCC(=O)N 240690a_100000740010_100051588842 [0,1,0,0,0,1|1,0,1]=4 1007 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,1,0,0,0,1|2,0,0]=4 1008 B10R0.3 NC(=O)CCNC(=O)CCO 240690a_100000740010_100011216618 [0,1,0,0,0,1|2,0,0]=4 1009 B10R0.3 NC(=O)CNCC(=O)NCO 2230a_100000711301_100000185155 [0,1,0,0,0,1|2,0,0]=4 1010 B10R0.3 NC(=O)COCC(=O)CCF 1458a_100011219004_100011217306 [0,1,0,0,0,1|2,0,0]=4 1011 B10R0.3 NC(=O)COCC(=O)CCO 1458a_100011219004_100000211926 [0,1,0,0,0,1|2,0,0]=4 1012 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000185155_100000747473 [0,1,0,0,0,1|2,0,0]=4 1013 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000747473_100000185155 [0,1,0,0,0,1|2,0,0]=4 1014 B10R0.3 NC(=O)NCCC(=O)CCF 1458a_100000181464_100011217306 [0,1,0,0,0,1|2,0,0]=4 1015 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100000181464_100000211926 [0,1,0,0,0,1|2,0,0]=4 1016 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100011216618_200000034859 [0,1,0,0,0,1|2,0,0]=4 1017 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,1,0,0,0,1|2,0,0]=4 1018 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [0,1,0,0,0,1|1,0,0]=3 1019 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100000185155_100020667443 [0,1,0,0,0,1|1,0,1]=4 1020 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100020667443_100000185155 [0,1,0,0,0,1|1,0,1]=4 1021 B10R0.3 [13CH3]NCC(=O)NCCC(=O)N 2230a_200138414118_200025704644 [0,1,0,0,0,1|1,0,0]=3 1022 B10R0.44 CCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747405 [0,1,0,0,0,1|2,0,0]=4 1023 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,1|1,0,0]=3 1024 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,1,0,0,0,1|2,0,0]=4 1025 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,1|2,0,0]=4 1026 B10R0.57 CC(=O)SC[C@@H](C)C(=O)CF 1458a_200015407212_100015361967 [0,1,0,0,0,1|2,0,0]=4 1027 B10R0.57 CC(OCC(=O)N)C(=O)NN 34a_100000725659_100000187820 [0,1,0,0,0,1|2,0,0]=4 1028 B10R0.57 CC(OCC(=O)[O-])C(=O)NN 34a_100000725659_100020667443 [0,1,0,0,0,1|1,0,1]=4 1029 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,1,0,0,0,1|2,0,0]=4 1030 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,1,0,0,0,1|1,0,0]=3 1031 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000742827_100000747473 [0,1,0,0,0,1|2,0,0]=4 1032 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000747473_100000742827 [0,1,0,0,0,1|2,0,0]=4 1033 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100000742827_100020667443 [0,1,0,0,0,1|1,0,1]=4 1034 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000742827 [0,1,0,0,0,1|1,0,1]=4 1035 B10R0.57 CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210414 [0,1,0,0,0,1|2,0,0]=4 1036 B10R0.57 CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210414 [0,1,0,0,0,1|2,0,0]=4 1037 B10R0.57 CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210414 [0,1,0,0,0,1|2,0,0]=4 1038 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,1,0,0,0,1|2,0,0]=4 1039 B10R0.57 CN(CCC(=O)N)C(=O)CO 240690a_100000730477_100000210174 [0,1,0,0,0,1|2,0,0]=4 1040 B10R0.57 CN(CCC(=O)N)C(=O)CO 527a_100000730477_100000210174 [0,1,0,0,0,1|2,0,0]=4 1041 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,1,0,0,0,1|2,0,0]=4 1042 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [0,1,0,0,0,1|1,0,1]=4 1043 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,1,0,0,0,1|1,0,1]=4 1044 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000065099_100000210202 [0,1,0,0,0,1|2,0,0]=4 1045 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000210414_100009813456 [0,1,0,0,0,1|2,0,0]=4 1046 B10R0.59 C=CC(=O)OCCC(=O)CF 1458a_100000065099_100015361967 [0,1,0,0,0,1|2,0,0]=4 1047 B10R0.59 C=CC(=O)OCCC(=O)CO 1458a_100000210174_100009813456 [0,1,0,0,0,1|1,0,1]=4 1048 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,1,0,0,0,1|2,0,0]=4 1049 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,1,0,0,0,1|1,0,0]=3 1050 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,1,0,0,0,1|1,0,0]=3 1051 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,1,0,0,0,1|2,0,0]=4 1052 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,1,0,0,0,1|2,0,0]=4 1053 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,1,0,0,0,1|1,0,0]=3 1054 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,1,0,0,0,1|2,0,0]=4 1055 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,1,0,0,0,1|2,0,0]=4 1056 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,1,0,0,0,1|2,0,0]=4 1057 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,1,0,0,0,1|1,0,0]=3 1058 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,1,0,0,0,1|1,0,0]=3 1059 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,1,0,0,0,1|1,0,0]=3 1060 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,1,0,0,0,1|2,0,0]=4 1061 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,1,0,0,0,1|2,0,0]=4 1062 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,1,0,0,0,1|2,0,0]=4 1063 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,1,0,0,0,1|1,0,0]=3 1064 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,1,0,0,0,1|2,0,0]=4 1065 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,1,0,0,0,1|2,0,0]=4 1066 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,1,0,0,0,1|2,0,0]=4 1067 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,1,0,0,0,1|2,0,0]=4 1068 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,1,0,0,0,1|2,0,0]=4 1069 B10R0.59 CNC(=O)CCNC(=O)CO 240690a_100000738227_100000210174 [0,1,0,0,0,1|2,0,0]=4 1070 B10R0.59 CNC(=O)CCNC(=O)CO 527a_100000738227_100000210174 [0,1,0,0,0,1|2,0,0]=4 1071 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,1,0,0,0,1|2,0,0]=4 1072 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,1,0,0,0,1|2,0,0]=4 1073 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,1,0,0,0,1|2,0,0]=4 1074 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,1,0,0,0,1|2,0,0]=4 1075 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,1,0,0,0,1|2,0,0]=4 1076 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,1,0,0,0,1|2,0,0]=4 1077 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,1,0,0,0,1|2,0,0]=4 1078 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [0,1,0,0,0,1|2,0,0]=4 1079 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,1,0,0,0,1|1,0,0]=3 1080 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,1,0,0,0,1|1,0,0]=3 1081 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,1,0,0,0,1|1,0,0]=3 1082 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,1,0,0,0,1|1,0,1]=4 1083 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,1,0,0,0,1|1,0,1]=4 1084 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,1,0,0,0,1|1,0,1]=4 1085 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [0,1,0,0,0,1|1,0,0]=3 1086 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,1,0,0,0,1|2,0,0]=4 1087 B10R0.82 CC(=O)N(C)CCC(=O)CF 1458a_100011216537_100015361967 [0,1,0,0,0,1|2,0,0]=4 1088 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,1,0,0,0,1|2,0,0]=4 1089 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,1|1,0,0]=3 1090 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,1,0,0,0,1|2,0,0]=4 1091 B10R0.82 CCC(=O)COC(F)C(=O)N 34a_100000725409_100009813875 [0,1,0,0,0,1|2,0,0]=4 1092 B10R0.82 CCC(=O)COC(F)C(=O)[O-] 34a_100000725409_100020610796 [0,1,0,0,0,1|1,0,1]=4 1093 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,1,0,0,0,1|1,0,1]=4 1094 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,1,0,0,0,1|2,0,0]=4 1095 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,1,0,0,0,1|2,0,0]=4 1096 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,1,0,0,0,1|2,0,0]=4 1097 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,1,0,0,0,1|2,0,0]=4 1098 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,1,0,0,0,1|2,0,0]=4 1099 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100000747405_100009813875 [0,1,0,0,0,1|2,0,0]=4 1100 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747405 [0,1,0,0,0,1|2,0,0]=4 1101 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100000747405_100020610796 [0,1,0,0,0,1|1,0,1]=4 1102 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747405 [0,1,0,0,0,1|1,0,1]=4 1103 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,1|2,0,0]=4 1104 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,1|2,0,0]=4 1105 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,1,0,0,0,1|1,0,1]=4 1106 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,1|2,0,0]=4 1107 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,0,0,0,1|2,0,0]=4 1108 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,1,0,0,0,1|2,0,0]=4 1109 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,1|2,0,0]=4 1110 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,1|2,0,0]=4 1111 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,1,0,0,0,1|2,0,0]=4 1112 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,1,0,0,0,1|2,0,0]=4 1113 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,1,0,0,0,1|2,0,0]=4 1114 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [0,1,0,0,0,1|2,0,0]=4 1115 B10R0.98 CC(=O)NCCC(=O)C(O)O 1458a_100000233687_100000189650 [0,1,0,0,0,1|2,0,0]=4 1116 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,1,0,0,0,1|2,0,0]=4 1117 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,1,0,0,0,1|2,0,0]=4 1118 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,1,0,0,0,1|2,0,0]=4 1119 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,1,0,0,0,1|2,0,0]=4 1120 B10R0.98 CC(=O)OCCC(=O)C(O)O 1458a_100000233687_100009814007 [0,1,0,0,0,1|2,0,0]=4 1121 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,1,0,0,0,1|2,0,0]=4 1122 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,1,0,0,0,1|2,0,0]=4 1123 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,1,0,0,0,1|2,0,0]=4 1124 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,1,0,0,0,1|2,0,0]=4 1125 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000210206 [0,1,0,0,0,1|2,0,0]=4 1126 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000210198_200000034859 [0,1,0,0,0,1|2,0,0]=4 1127 B10R0.98 CC(C)C(=O)CCOC(=O)N 1458a_100000210198_200011214921 [0,1,0,0,0,1|2,0,0]=4 1128 B10R0.98 CC(C)C(=O)CNCC(=O)N 2230a_100000711301_100000753385 [0,1,0,0,0,1|2,0,0]=4 1129 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,1,0,0,0,1|1,0,0]=3 1130 B10R0.98 CC(C)C(=O)COCC(=O)N 1458a_100011219004_100000210206 [0,1,0,0,0,1|2,0,0]=4 1131 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000747473_100000753385 [0,1,0,0,0,1|2,0,0]=4 1132 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000753385_100000747473 [0,1,0,0,0,1|2,0,0]=4 1133 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100000753385_100020667443 [0,1,0,0,0,1|1,0,1]=4 1134 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000753385 [0,1,0,0,0,1|1,0,1]=4 1135 B10R0.98 CC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210198 [0,1,0,0,0,1|2,0,0]=4 1136 B10R0.98 CC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210198 [0,1,0,0,0,1|2,0,0]=4 1137 B10R0.98 CC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210198 [0,1,0,0,0,1|2,0,0]=4 1138 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,1,0,0,0,1|2,0,0]=4 1139 B10R0.98 CC(F)C(=O)CCNC(=O)N 1458a_100000062450_200000034859 [0,1,0,0,0,1|2,0,0]=4 1140 B10R0.98 CC(F)C(=O)CCOC(=O)N 1458a_100000062450_200011214921 [0,1,0,0,0,1|2,0,0]=4 1141 B10R0.98 CC(F)C(=O)NCCC(=O)N 11a_100000740010_100000062450 [0,1,0,0,0,1|2,0,0]=4 1142 B10R0.98 CC(F)C(=O)NCCC(=O)N 240690a_100000740010_100000062450 [0,1,0,0,0,1|2,0,0]=4 1143 B10R0.98 CC(F)C(=O)NCCC(=O)N 527a_100000740010_100000062450 [0,1,0,0,0,1|2,0,0]=4 1144 B10R0.98 CN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000692301 [0,1,0,0,0,1|2,0,0]=4 1145 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,1,0,0,0,1|2,0,0]=4 1146 B10R0.98 C[C@@H](O)C(=O)CCNC(=O)N 1458a_100000717761_200000034859 [0,1,0,0,0,1|2,0,0]=4 1147 B10R0.98 C[C@@H](O)C(=O)CCOC(=O)N 1458a_100000717761_200011214921 [0,1,0,0,0,1|2,0,0]=4 1148 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000717761 [0,1,0,0,0,1|2,0,0]=4 1149 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,1,0,0,0,1|2,0,0]=4 1150 B10R0.98 C[C@H](O)C(=O)CCNC(=O)N 1458a_217856618621_200000034859 [0,1,0,0,0,1|2,0,0]=4 1151 B10R0.98 C[C@H](O)C(=O)CCOC(=O)N 1458a_217856618621_200011214921 [0,1,0,0,0,1|2,0,0]=4 1152 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_217856618621 [0,1,0,0,0,1|2,0,0]=4 1153 B10R0.98 NC(=O)CCCC(=O)C(O)O 1458a_100000233687_100102525003 [0,1,0,0,0,1|2,0,0]=4 1154 B10R0.98 NC(=O)CCNC(=O)C(=O)N 240690a_100000740010_100011215815 [0,1,0,0,0,1|1,0,1]=4 1155 B10R0.98 NC(=O)CCNC(=O)C(F)F 11a_100000740010_100000210393 [0,1,0,0,0,1|2,0,0]=4 1156 B10R0.98 NC(=O)CCNC(=O)C(F)F 240690a_100000740010_100000210393 [0,1,0,0,0,1|2,0,0]=4 1157 B10R0.98 NC(=O)CCNC(=O)C(F)F 527a_100000740010_100000210393 [0,1,0,0,0,1|2,0,0]=4 1158 B10R0.98 NC(=O)CCNC(=O)C(O)O 240690a_100000740010_100000233687 [0,1,0,0,0,1|2,0,0]=4 1159 B10R0.98 NC(=O)NCCC(=O)C(O)O 1458a_100000233687_200000034859 [0,1,0,0,0,1|2,0,0]=4 1160 B10R0.98 NC(=O)OCCC(=O)C(O)O 1458a_100000233687_200011214921 [0,1,0,0,0,1|2,0,0]=4 1161 B10R0.12 NC(=O)CCC(=O)C(F)(F)F 1458a_100011215257_200000243211 [0,2,0,0,0,0|2,0,0]=4 1162 B10R0.109 CNCC(=O)CCS(=O)(=O)C 2230a_106832991635_100103131435 [0,2,0,0,0,0|1,0,1]=4 1163 B10R0.109 CNCC(=O)CCS(=O)(=O)C 34a_100102657272_100103131435 [0,2,0,0,0,0|1,0,1]=4 1164 B10R0.109 CNCC(=O)CCS(=O)(=O)C 7a_106832991635_100103131435 [0,2,0,0,0,0|1,0,1]=4 1165 B10R0.115 CCS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000756660 [0,2,0,0,0,0|2,0,0]=4 1166 B10R0.32 CN(CC(=O)O)C(=O)CN[13CH3] 269956a_100011216108_200025704644 [0,2,0,0,0,0|1,0,0]=3 1167 B10R0.32 CNCC(=O)N(C)CC(=O)O 269956a_100011216108_200000210301 [0,2,0,0,0,0|1,0,0]=3 1168 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|1,0,0]=3 1169 B10R0.46 CCC(=O)N(C)CC(=O)OC 11a_100000198492_100000210414 [0,2,0,0,0,0|2,0,0]=4 1170 B10R0.46 CCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000210414 [0,2,0,0,0,0|2,0,0]=4 1171 B10R0.46 CCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000210414 [0,2,0,0,0,0|2,0,0]=4 1172 B10R0.46 CCC(=O)N(C)CC(=O)OC 527a_100000198492_100000210414 [0,2,0,0,0,0|2,0,0]=4 1173 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,2,0,0,0,0|2,0,0]=4 1174 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 1175 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 1176 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 1177 B10R0.46 COC(=O)CC(C)C(=O)CF 1458a_100000037256_100015361967 [0,2,0,0,0,0|1,0,0]=3 1178 B10R0.46 COC(=O)CN(C)C(=O)CO 240690a_100000198492_100000210174 [0,2,0,0,0,0|2,0,0]=4 1179 B10R0.46 COC(=O)CN(C)C(=O)CO 527a_100000198492_100000210174 [0,2,0,0,0,0|2,0,0]=4 1180 B10R0.46 COC(=O)[C@@H](C)NC(=O)CO 188690a_100000687819_100000210174 [0,2,0,0,0,0|2,0,0]=4 1181 B10R0.108 C#CCC(=O)CCC(=O)NC 1458a_100011309844_100000184674 [0,2,0,0,0,0|2,0,0]=4 1182 B10R0.108 C#CCC(=O)CCC(=O)OC 1458a_100000187943_100000184674 [0,2,0,0,0,0|1,0,0]=3 1183 B10R0.108 C#CCC(=O)CNC(=O)OC 1458a_100000215747_100000184674 [0,2,0,0,0,0|2,0,0]=4 1184 B10R0.108 C#CCC(=O)NCC(=O)OC 188690a_100000185156_100011220946 [0,2,0,0,0,0|2,0,0]=4 1185 B10R0.108 C=CCC(=O)CCC(=O)NC 1458a_100011309844_100000210623 [0,2,0,0,0,0|2,0,0]=4 1186 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,2,0,0,0,0|1,0,0]=3 1187 B10R0.108 C=CCC(=O)CNC(=O)OC 1458a_100000215747_100000210623 [0,2,0,0,0,0|2,0,0]=4 1188 B10R0.108 C=CCC(=O)NCC(=O)OC 188690a_100000185156_100000210193 [0,2,0,0,0,0|2,0,0]=4 1189 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,2,0,0,0,0|2,0,0]=4 1190 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|2,0,0]=4 1191 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,0]=3 1192 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|2,0,0]=4 1193 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|2,0,0]=4 1194 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,2,0,0,0,0|2,0,0]=4 1195 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|2,0,0]=4 1196 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,2,0,0,0,0|2,0,0]=4 1197 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,2,0,0,0,0|2,0,0]=4 1198 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,2,0,0,0,0|2,0,0]=4 1199 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,2,0,0,0,0|2,0,0]=4 1200 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,2,0,0,0,0|2,0,0]=4 1201 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,2,0,0,0,0|2,0,0]=4 1202 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,2,0,0,0,0|2,0,0]=4 1203 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,0]=3 1204 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,0]=3 1205 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,0]=3 1206 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [0,2,0,0,0,0|2,0,0]=4 1207 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [0,2,0,0,0,0|2,0,0]=4 1208 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,2,0,0,0,0|2,0,0]=4 1209 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,2,0,0,0,0|2,0,0]=4 1210 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,2,0,0,0,0|2,0,0]=4 1211 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|1,0,0]=3 1212 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,2,0,0,0,0|1,0,0]=3 1213 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|2,0,0]=4 1214 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|2,0,0]=4 1215 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|2,0,0]=4 1216 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,2,0,0,0,0|2,0,0]=4 1217 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,2,0,0,0,0|2,0,0]=4 1218 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|2,0,0]=4 1219 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,2,0,0,0,0|2,0,0]=4 1220 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|2,0,0]=4 1221 B10R0.108 CNC(=O)CCC(=O)CC#N 1458a_100011309844_100011214920 [0,2,0,0,0,0|1,0,1]=4 1222 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,2,0,0,0,0|2,0,0]=4 1223 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,2,0,0,0,0|2,0,0]=4 1224 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|0,0,0]=2 1225 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|0,0,0]=2 1226 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|0,0,0]=2 1227 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,2,0,0,0,0|1,0,0]=3 1228 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,2,0,0,0,0|1,0,0]=3 1229 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,2,0,0,0,0|1,0,0]=3 1230 B10R0.108 CNNC(=O)CCC(=O)NC 22a_100016993582_100011309844 [0,2,0,0,0,0|2,0,0]=4 1231 B10R0.108 CNNC(=O)CNC(=O)OC 22a_100016993582_100000215747 [0,2,0,0,0,0|2,0,0]=4 1232 B10R0.108 COC(=O)CCC(=O)CC#N 1458a_100000187943_100011214920 [0,2,0,0,0,0|0,0,1]=3 1233 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,0]=3 1234 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,0]=3 1235 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|1,0,0]=3 1236 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|1,0,0]=3 1237 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|1,0,0]=3 1238 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|1,0,0]=3 1239 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,2,0,0,0,0|2,0,0]=4 1240 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,2,0,0,0,0|2,0,0]=4 1241 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,2,0,0,0,0|2,0,0]=4 1242 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,2,0,0,0,0|2,0,0]=4 1243 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,2,0,0,0,0|2,0,0]=4 1244 B10R0.108 COC(=O)NCC(=O)CC#N 1458a_100000215747_100011214920 [0,2,0,0,0,0|1,0,1]=4 1245 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,2,0,0,0,0|2,0,0]=4 1246 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,2,0,0,0,0|2,0,0]=4 1247 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|1,0,0]=3 1248 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,2,0,0,0,0|2,0,0]=4 1249 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,2,0,0,0,0|2,0,0]=4 1250 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|2,0,0]=4 1251 B10R0.26 CNCC(=O)N[C@@H](C)C(=O)O 269956a_100011417567_200000210301 [0,2,0,0,0,0|1,0,0]=3 1252 B10R0.26 C[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_100011417567_200025704644 [0,2,0,0,0,0|1,0,0]=3 1253 B10R0.78 C#CCCC(=O)CCC(=O)N 1458a_100011215257_100000753159 [0,2,0,0,0,0|2,0,0]=4 1254 B10R0.78 C#CCNC(=O)CCC(=O)N 240690a_100000212058_100011215257 [0,2,0,0,0,0|2,0,0]=4 1255 B10R0.78 C#CCNC(=O)CCC(=O)N 527a_100000212058_100011215257 [0,2,0,0,0,0|2,0,0]=4 1256 B10R0.78 C/C=C/CC(=O)CCC(=O)N 1458a_100011215257_100102629194 [0,2,0,0,0,0|2,0,0]=4 1257 B10R0.78 C=CCCC(=O)CCC(=O)N 1458a_100011215257_100000754431 [0,2,0,0,0,0|2,0,0]=4 1258 B10R0.78 C=CCNC(=O)CCC(=O)N 240690a_100020586998_100011215257 [0,2,0,0,0,0|2,0,0]=4 1259 B10R0.78 C=CCNC(=O)CCC(=O)N 527a_100020586998_100011215257 [0,2,0,0,0,0|2,0,0]=4 1260 B10R0.78 CC#CCC(=O)CCC(=O)N 1458a_100011215257_100000748600 [0,2,0,0,0,0|2,0,0]=4 1261 B10R0.78 CC=CCC(=O)CCC(=O)N 1458a_100011215257_100000070051 [0,2,0,0,0,0|2,0,0]=4 1262 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|2,0,0]=4 1263 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|2,0,0]=4 1264 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,2,0,0,0,0|2,0,0]=4 1265 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,2,0,0,0,0|2,0,0]=4 1266 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|2,0,0]=4 1267 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,2,0,0,0,0|1,0,0]=3 1268 B10R0.78 CCNNC(=O)CCC(=O)N 22a_100000756455_100011215257 [0,2,0,0,0,0|2,0,0]=4 1269 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,2,0,0,0,0|1,0,0]=3 1270 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,2,0,0,0,0|2,0,0]=4 1271 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|2,0,0]=4 1272 B10R0.78 N#CCCC(=O)CCC(=O)N 1458a_100011215257_100011215226 [0,2,0,0,0,0|1,0,1]=4 1273 B10R0.78 N#CCNC(=O)CCC(=O)N 527a_100000734998_100011215257 [0,2,0,0,0,0|1,0,1]=4 1274 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,2,0,0,0,0|2,0,0]=4 1275 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,2,0,0,0,0|2,0,0]=4 1276 B10R0.78 NC(=O)CCC(=O)NCCF 240690a_100000724931_100011215257 [0,2,0,0,0,0|2,0,0]=4 1277 B10R0.78 NC(=O)CCC(=O)NCCF 527a_100000724931_100011215257 [0,2,0,0,0,0|2,0,0]=4 1278 B10R0.78 NC(=O)CCC(=O)NCCO 240690a_100000210304_100011215257 [0,2,0,0,0,0|2,0,0]=4 1279 B10R0.78 NC(=O)CCC(=O)NCCO 527a_100000210304_100011215257 [0,2,0,0,0,0|2,0,0]=4 1280 B10R0.78 O=C(O)CNC(=O)CNCF 269956a_100000183575_100015361967 [0,2,0,0,0,0|1,0,0]=3 1281 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,2,0,0,0,0|1,0,0]=3 1282 B10R0.96 C=C(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748629 [0,2,0,0,0,0|2,0,0]=4 1283 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_100134613110_100000730704 [0,2,0,0,0,0|2,0,0]=4 1284 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_200000688413_100000187820 [0,2,0,0,0,0|2,0,0]=4 1285 B10R0.96 C=C(C)CCC(=O)CN(C)C 1458a_100000750896_100000730704 [0,2,0,0,0,0|2,0,0]=4 1286 B10R0.96 C=C(F)CC(=O)CCC(=O)N 1458a_100011215257_100009893438 [0,2,0,0,0,0|2,0,0]=4 1287 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,2,0,0,0,0|2,0,0]=4 1288 B10R0.96 CC(=O)CCC(=O)NN(C)C 1458a_100011219620_200000210301 [0,2,0,0,0,0|2,0,0]=4 1289 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,2,0,0,0,0|2,0,0]=4 1290 B10R0.96 CC(=O)NCC(=O)CC(=O)N 1458a_100000194580_100000187820 [0,2,0,0,0,0|2,0,0]=4 1291 B10R0.96 CC(=O)OCC(=O)CC(=O)N 1458a_100000183556_100000187820 [0,2,0,0,0,0|2,0,0]=4 1292 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,2,0,0,0,0|2,0,0]=4 1293 B10R0.96 CC(=O)SCC(=O)CC(=O)N 1458a_100000049016_100000187820 [0,2,0,0,0,0|2,0,0]=4 1294 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,2,0,0,0,0|2,0,0]=4 1295 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,2,0,0,0,0|2,0,0]=4 1296 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,2,0,0,0,0|2,0,0]=4 1297 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,2,0,0,0,0|2,0,0]=4 1298 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,2,0,0,0,0|1,0,1]=4 1299 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,2,0,0,0,0|1,0,1]=4 1300 B10R0.96 CN(C)CC(=O)NCC(=O)N 11a_100000711301_100000750896 [0,2,0,0,0,0|2,0,0]=4 1301 B10R0.96 CN(C)CC(=O)NCC(=O)N 240690a_100000711301_100000750896 [0,2,0,0,0,0|2,0,0]=4 1302 B10R0.96 CN(C)CC(=O)NCC(=O)N 527a_100000711301_100000750896 [0,2,0,0,0,0|2,0,0]=4 1303 B10R0.96 CN(C)NC(=O)CCC(=O)[13CH3] 1458a_100011219620_200025704644 [0,2,0,0,0,0|2,0,0]=4 1304 B10R0.96 NC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000187820 [0,2,0,0,0,0|1,0,1]=4 1305 B10R0.96 NC(=O)CC(=O)CNC(=O)N 1458a_100000184981_100000187820 [0,2,0,0,0,0|2,0,0]=4 1306 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [0,2,0,0,0,0|1,0,0]=3 1307 B10R0.96 NC(=O)CCC(=O)CC(=O)[O-] 1458a_100011215257_100020667443 [0,2,0,0,0,0|2,0,0]=4 1308 B10R0.96 NC(=O)CCC(=O)CC(F)F 1458a_100011215257_100011934356 [0,2,0,0,0,0|2,0,0]=4 1309 B10R0.96 NC(=O)CCC(=O)C[N+](=O)[O-] 1458a_100011215257_100000761209 [0,2,0,0,0,0|1,0,1]=4 1310 B10R0.96 NC(=O)CNC(=O)CC(=O)N 240690a_100000711301_100134613110 [0,2,0,0,0,0|2,0,0]=4 1311 B10R0.96 NC(=O)CNC(=O)CC(=O)N 527a_100000711301_100134613110 [0,2,0,0,0,0|2,0,0]=4 1312 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,1]=4 1313 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [1,0,0,1,0,0|1,0,1]=4 1314 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,1]=4 1315 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,1]=4 1316 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|1,0,1]=4 1317 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|1,0,1]=4 1318 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [1,0,0,1,0,0|2,0,0]=4 1319 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [1,0,0,1,0,0|2,0,0]=4 1320 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [1,0,0,1,0,0|1,0,0]=3 1321 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [1,0,0,1,0,0|1,0,1]=4 1322 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [1,0,0,1,0,0|1,0,0]=3 1323 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [1,0,0,1,0,0|1,0,1]=4 1324 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,1|2,0,0]=4 1325 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,1|2,0,0]=4 1326 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,0,0,1,0,1|2,0,0]=4 1327 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,0,0,1,0,1|2,0,0]=4 1328 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,0,0,1,0,1|2,0,0]=4 1329 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,0,0,1,0,1|1,0,0]=3 1330 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,0,0,1,0,1|2,0,0]=4 1331 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,0,0,1,0,1|2,0,0]=4 1332 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 1333 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 1334 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 1335 B10R1.14 O=C1CC(CN1)C(=O)CF 1458a_100000747279_100015361967 [0,0,0,1,0,1|2,0,0]=4 1336 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,0,0,1,0,1|2,0,0]=4 1337 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,0,0,1,0,1|1,0,0]=3 1338 B10R1.14 O=C1NCC(N1)C(=O)CF 1458a_100000033324_100015361967 [0,0,0,1,0,1|2,0,0]=4 1339 B10R1.14 O=C1N[C@@H](CS1)C(=O)CF 1458a_100000735014_100015361967 [0,0,0,1,0,1|2,0,0]=4 1340 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,0,1|2,0,0]=4 1341 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,0,1|2,0,0]=4 1342 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,0,1|2,0,0]=4 1343 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,1|2,0,0]=4 1344 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,0,0,1,0,1|2,0,0]=4 1345 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [0,0,0,1,0,1|2,0,0]=4 1346 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [0,0,0,1,0,1|2,0,0]=4 1347 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,1|1,0,0]=3 1348 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100009892977_100020667443 [0,0,0,1,0,1|1,0,1]=4 1349 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100020667443_100009892977 [0,0,0,1,0,1|1,0,1]=4 1350 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,0,0,1,0,1|2,0,0]=4 1351 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [0,0,0,1,0,1|2,0,0]=4 1352 B10R1.81 CC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210206 [0,1,0,1,0,0|2,0,0]=4 1353 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|2,0,0]=4 1354 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|2,0,0]=4 1355 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|1,0,1]=4 1356 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|0,0,2]=4 1357 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|1,0,1]=4 1358 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|0,0,2]=4 1359 B10R1.140 C#CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000184674 [0,1,0,1,0,0|2,0,0]=4 1360 B10R1.140 C=CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210623 [0,1,0,1,0,0|2,0,0]=4 1361 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,1,0,1,0,0|2,0,0]=4 1362 B10R1.140 CCNC(=O)[C@@H]1CC(=O)N1 527a_100015525214_100016090685 [0,1,0,1,0,0|2,0,0]=4 1363 B10R1.140 CNNC(=O)[C@@H]1CC(=O)N1 22a_100016993582_100016090685 [0,1,0,1,0,0|2,0,0]=4 1364 B10R1.140 N#CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011214920 [0,1,0,1,0,0|1,0,1]=4 1365 B10R1.140 O=C1C[C@H](N1)C(=O)CCF 1458a_100016090685_100011217306 [0,1,0,1,0,0|2,0,0]=4 1366 B10R1.140 O=C1C[C@H](N1)C(=O)CCO 1458a_100016090685_100000211926 [0,1,0,1,0,0|2,0,0]=4 1367 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,1,0|2,0,0]=4 1368 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,0,0,0,1,0|2,0,0]=4 1369 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,1,0|1,0,0]=3 1370 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,1,0|1,0,0]=3 1371 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,1,0|0,0,1]=3 1372 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,1,0|1,0,1]=4 1373 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,1,0|1,0,1]=4 1374 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,0,0,0,1,0|1,0,1]=4 1375 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,1,0|2,0,0]=4 1376 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,1,0|2,0,0]=4 1377 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,1,0|1,0,1]=4 1378 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,1,0|1,0,0]=3 1379 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,0,0,0,0,2|2,0,0]=4 1380 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,0,0,0,0,2|2,0,0]=4 1381 B10R0.55 CC(=O)NCCNC(=O)CO 240690a_100000209853_100000210174 [0,0,0,0,0,2|2,0,0]=4 1382 B10R0.55 CC(=O)NCCNC(=O)CO 527a_100000209853_100000210174 [0,0,0,0,0,2|2,0,0]=4 1383 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,0,0,0,0,2|2,0,0]=4 1384 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,0,0,0,0,2|2,0,0]=4 1385 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,0,0,0,0,2|2,0,0]=4 1386 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,0,0,0,0,2|2,0,0]=4 1387 B10R0.55 CC(=O)SCCNC(=O)CO 240690a_100020647217_100000210174 [0,0,0,0,0,2|2,0,0]=4 1388 B10R0.55 CC(=O)SCCNC(=O)CO 527a_100020647217_100000210174 [0,0,0,0,0,2|2,0,0]=4 1389 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,0,0,0,0,2|2,0,0]=4 1390 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,0,0,0,0,2|2,0,0]=4 1391 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,0,0,0,0,2|2,0,0]=4 1392 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,0,0,0,0,2|2,0,0]=4 1393 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,0,0,0,0,2|2,0,0]=4 1394 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,0,0,0,0,2|2,0,0]=4 1395 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,0,0,0,0,2|1,0,0]=3 1396 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,0,0,0,0,2|2,0,0]=4 1397 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,0,0,0,0,2|2,0,0]=4 1398 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,0,0,0,0,2|2,0,0]=4 1399 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,0,0,0,0,2|2,0,0]=4 1400 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,0,0,0,0,2|2,0,0]=4 1401 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,0,0,0,0,2|2,0,0]=4 1402 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,0,0,0,0,2|2,0,0]=4 1403 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,0,0,0,0,2|2,0,0]=4 1404 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,0,0,0,0,2|2,0,0]=4 1405 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,0,0,0,0,2|2,0,0]=4 1406 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,0,0,0,0,2|2,0,0]=4 1407 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,0,0,0,0,2|2,0,0]=4 1408 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,0,0,0,0,2|2,0,0]=4 1409 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,0,0,0,0,2|2,0,0]=4 1410 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,0,0,0,0,2|2,0,0]=4 1411 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,0,0,0,0,2|2,0,0]=4 1412 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,0,0,0,0,2|2,0,0]=4 1413 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,0,0,0,0,2|2,0,0]=4 1414 B10R0.55 CCC(=O)NCCNC(=O)N 240690a_100020590234_100000210414 [0,0,0,0,0,2|2,0,0]=4 1415 B10R0.55 CCC(=O)NCCNC(=O)N 527a_100020590234_100000210414 [0,0,0,0,0,2|2,0,0]=4 1416 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,0,0,0,0,2|2,0,0]=4 1417 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,0,0,0,0,2|2,0,0]=4 1418 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,0,0,0,0,2|2,0,0]=4 1419 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,0,0,0,0,2|2,0,0]=4 1420 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,0,0,0,0,2|2,0,0]=4 1421 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,0,0,0,0,2|2,0,0]=4 1422 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,0,0,0,0,2|2,0,0]=4 1423 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [0,0,0,0,0,2|2,0,0]=4 1424 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,0,0,0,0,2|2,0,0]=4 1425 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,0,0,0,0,2|2,0,0]=4 1426 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [0,0,0,0,0,2|2,0,0]=4 1427 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [0,0,0,0,0,2|2,0,0]=4 1428 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [0,0,0,0,0,2|2,0,0]=4 1429 B10R0.55 NC(=O)CSCCC(=O)CF 1458a_100000148550_100015361967 [0,0,0,0,0,2|2,0,0]=4 1430 B10R0.55 NC(=O)NCCNC(=O)CO 240690a_100020590234_100000210174 [0,0,0,0,0,2|2,0,0]=4 1431 B10R0.55 NC(=O)NCCNC(=O)CO 527a_100020590234_100000210174 [0,0,0,0,0,2|2,0,0]=4