0 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,0,0,0,0,0|1,0,3]=4 33 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,0,0,0,0,0|3,0,0]=3 45 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,0,0,0,0|1,0,2]=3 58 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,0,0,0,0,0|3,0,0]=3 59 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,0,0,0,0,0|3,0,0]=3 60 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,0|2,0,0]=2 61 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,0|2,0,0]=2 63 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,0|2,0,0]=2 66 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,0|2,0,0]=2 70 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,0|2,0,0]=2 74 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,0,0,0,0|2,0,2]=4 79 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,0,0,0,0|2,0,2]=4 80 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,0,0,0,0|3,0,0]=3 83 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,0|2,0,1]=3 84 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,0|2,0,1]=3 85 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,0|3,0,0]=3 95 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,0,0,0,0,0|4,0,0]=4 96 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,0,0,0,0,0|4,0,0]=4 97 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,0,0|2,0,0]=2 103 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,0,0,0,0,0|1,0,2]=3 105 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,0,0,0,0,0|1,0,2]=3 106 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,0,0,0,0|2,0,1]=3 108 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,0,0,0,0|2,0,1]=3 109 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,0,0,0,0|2,0,1]=3 110 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,0,0|1,0,0]=1 111 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,0,0,0,0|2,0,0]=2 112 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,0,0,0,0|2,0,0]=2 113 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,0,0|1,0,0]=1 114 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,0,0,0,0,0|2,0,1]=3 115 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,0,0,0,0,0|2,0,1]=3 116 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,0,0,0,0,0|2,0,1]=3 117 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,0,0,0,0,0|2,0,1]=3 118 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,0,0,0,0,0|1,0,2]=3 119 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,0,0,0,0,0|3,0,0]=3 130 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,0,0,0,0,0|3,0,0]=3 131 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,0,0,0,0,0|3,0,0]=3 133 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,0,0,0,0,0|3,0,0]=3 134 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,0,0,0,0,0|2,0,0]=2 135 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,0,0,0,0,0|2,0,0]=2 136 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,0,0,0,0,0|2,0,0]=2 137 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,0,0,0,0,0|2,0,0]=2 138 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,0,0,0,0,0|2,0,0]=2 139 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,0,0,0,0,0|2,0,0]=2 140 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,0,0,0,0,0|2,0,0]=2 141 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,0,0,0,0,0|3,0,0]=3 142 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,0,0,0,0,0|3,0,0]=3 143 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,0,0,0,0,0|3,0,1]=4 145 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,0,0,0,0,0|2,0,0]=2 147 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,0,0,0,0,0|2,0,0]=2 148 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,0,0,0,0,0|2,0,0]=2 149 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,0,0,0,0,0|3,0,1]=4 153 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,0,0,0,0,0|3,0,1]=4 154 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,0,0,0,0,0|2,0,0]=2 156 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,0,0,0,0,0|2,0,0]=2 157 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,0,0,0,0,0|2,0,0]=2 158 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,0,0,0,0,0|3,0,0]=3 159 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,0,0,0,0,0|3,0,1]=4 161 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,0,0,0,0,0|3,0,1]=4 162 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,0,0,0,0,0|3,0,1]=4 164 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,0,0,0,0,0|3,0,0]=3 166 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,0,0,0,0,0|3,0,0]=3 167 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,0,0,0,0,0|3,0,0]=3 168 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,0,0,0,0,0|3,0,0]=3 169 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,0,0,0,0,0|3,0,1]=4 170 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,0,0,0,0,0|3,0,1]=4 171 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,0,0,0,0,0|3,0,1]=4 172 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,0,0,0,0,0|2,0,2]=4 177 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,0,0,0,0,0|3,0,0]=3 181 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,0,0,0,0,0|3,0,0]=3 182 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,0,0|0,0,0]=0 184 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,0,0|0,0,0]=0 185 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,0,0,0,0,0|2,0,0]=2 186 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,0,0,0,0,0|2,0,0]=2 187 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,0,0,0,0,0|2,0,0]=2 188 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,0,0,0,0,0|2,0,0]=2 189 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,0,0,0,0,0|1,0,0]=1 190 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,0,0,0,0,0|2,0,1]=3 191 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,0,0,0,0,0|2,0,1]=3 192 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,0,0,0,0,0|2,0,1]=3 193 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,0,0,0,0,0|2,0,1]=3 194 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,0,0,0,0,0|2,0,1]=3 195 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,0,0,0,0|1,0,0]=1 196 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,0,0,0,0|1,0,0]=1 197 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,0,0,0,0,0|2,0,2]=4 198 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,0,0,0,0,0|2,0,2]=4 199 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,0,0,0,0,0|2,0,2]=4 200 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,0|3,0,1]=4 201 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,0,0,0,0,0|3,0,1]=4 202 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,0,0,0,0,0|3,0,1]=4 205 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,0,0|2,0,1]=3 207 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,0,0|2,0,1]=3 208 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,0,0|2,0,1]=3 209 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,0,0,0,0,0|4,0,0]=4 210 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,0,0,0,0,0|3,0,0]=3 211 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,0,0,0,0,0|4,0,0]=4 212 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,0,0,0,0,0|4,0,0]=4 213 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [0,0,0,0,0,0|4,0,0]=4 214 B8R0.9 O=C(CF)CC[N+](=O)[O-] 1458a_200000064761_100015361967 [0,0,0,0,0,0|4,0,0]=4 215 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [1,0,0,0,0,0|1,0,2]=4 216 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [1,0,0,0,0,0|1,0,2]=4 217 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [1,0,0,0,0,0|1,0,2]=4 218 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|1,0,2]=4 219 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|2,0,1]=4 220 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|2,0,1]=4 221 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|1,0,2]=4 222 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|1,0,2]=4 223 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 224 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 225 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 226 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 227 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|1,0,1]=3 228 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|2,0,1]=4 229 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,0,0,0,0|1,0,2]=4 230 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,0,0,0,0|1,0,2]=4 231 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|1,0,2]=4 232 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|2,0,1]=4 234 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|1,0,2]=4 235 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|1,0,1]=3 236 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|1,0,1]=3 237 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|2,0,1]=4 239 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,1]=3 240 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,1]=3 241 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,1]=3 242 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,1]=3 243 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,0,0,0,0,0|1,0,2]=4 244 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,0,0,0,0,0|1,0,2]=4 245 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,0,0,0,0,0|1,0,2]=4 246 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,0,0,0,0,0|1,0,2]=4 247 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|2,0,1]=4 248 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|2,0,1]=4 249 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|2,0,1]=4 250 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,0,0,0,0,0|2,0,1]=4 251 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,0,0,0,0,0|2,0,1]=4 252 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,0,0,0,0,0|2,0,1]=4 253 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,0,0,0,0,0|2,0,1]=4 254 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,0,0,0,0,0|2,0,1]=4 255 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|1,0,2]=4 256 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|1,0,1]=3 257 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|1,0,1]=3 258 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,0,0,0,0,0|2,0,1]=4 259 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|2,0,1]=4 260 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,1]=3 261 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,1]=3 262 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,1]=3 263 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,1]=3 264 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|3,0,0]=4 265 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,2]=4 269 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|2,0,0]=3 270 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|2,0,0]=3 271 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|2,0,0]=3 272 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|2,0,0]=3 273 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|1,0,1]=3 274 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|1,0,1]=3 275 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,1]=4 276 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,1]=4 277 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,1]=3 278 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 279 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 280 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 281 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|1,0,2]=4 282 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|1,0,2]=4 283 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|1,0,2]=4 284 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|1,0,2]=4 285 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|1,0,2]=4 286 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 287 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,1]=4 291 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,1]=4 293 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,1]=4 294 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,1]=4 295 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,1]=4 296 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,1]=4 297 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,1]=4 298 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|1,0,1]=3 299 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|2,0,1]=4 301 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,1]=4 302 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 303 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 304 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,1]=4 306 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 307 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|1,0,1]=3 308 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,1]=4 312 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 315 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,1]=4 316 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,1]=4 317 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|1,0,1]=3 318 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|1,0,1]=3 319 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 320 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 321 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 322 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 323 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 324 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 325 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,0]=3 326 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 327 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 328 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,0]=3 329 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,0]=3 330 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 331 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,0]=3 332 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,0]=3 333 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 334 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 335 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 336 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,0]=3 337 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,0]=3 338 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,0]=3 339 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,0]=3 340 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 341 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 342 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 343 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 344 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 345 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 346 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|1,0,0]=2 347 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 348 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|1,0,0]=2 349 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|1,0,0]=2 350 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|1,0,0]=2 351 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|1,0,0]=2 352 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|2,0,0]=3 356 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|3,0,0]=4 361 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|1,0,0]=2 362 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 366 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 367 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 368 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|1,0,2]=4 369 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|1,0,2]=4 370 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 378 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 379 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 380 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,1]=4 389 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|0,0,1]=2 390 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|0,0,1]=2 391 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|0,1,1]=3 392 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|0,1,1]=3 393 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,0,0,0,0,0|3,0,0]=4 394 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|1,0,1]=3 400 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|1,1,1]=4 401 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|1,1,1]=4 402 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|1,1,1]=4 403 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|1,1,1]=4 404 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|1,0,2]=4 405 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|1,0,2]=4 406 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,1]=3 407 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,1]=3 408 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,1]=3 409 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 410 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|3,0,0]=4 411 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,1]=3 412 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,1]=3 413 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,1]=3 414 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 417 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,1]=4 419 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,1]=4 420 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|3,0,0]=4 424 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 425 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 426 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 427 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 428 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 429 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|3,0,0]=4 430 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 431 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 432 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 433 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 437 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|3,0,0]=4 438 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 440 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 441 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,1]=3 443 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,1]=3 444 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,1]=4 447 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,1]=4 448 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 450 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|0,0,3]=4 454 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|0,0,3]=4 455 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|1,0,2]=4 456 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|0,0,1]=2 457 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|0,0,1]=2 458 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|0,0,1]=2 459 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|0,0,1]=2 460 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|0,0,1]=2 461 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|1,0,1]=3 462 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|0,0,1]=2 463 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|1,0,2]=4 464 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|1,0,2]=4 465 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|1,0,2]=4 466 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|0,0,3]=4 467 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|2,0,1]=4 470 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|2,0,1]=4 471 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|2,0,1]=4 472 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|2,0,1]=4 473 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|1,0,1]=3 475 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|1,0,1]=3 476 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|1,0,1]=3 477 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|1,0,1]=3 478 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|1,0,1]=3 480 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|2,0,1]=4 482 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,1]=4 484 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|0,1,1]=3 490 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|0,1,1]=3 491 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|0,1,1]=3 492 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|1,1,1]=4 493 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|1,1,1]=4 494 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|0,1,1]=3 495 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|1,1,1]=4 496 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|1,1,1]=4 497 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|1,1,1]=4 498 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|1,1,1]=4 499 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|1,1,1]=4 500 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|1,1,1]=4 501 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|1,1,1]=4 502 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|1,1,1]=4 503 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|1,1,1]=4 504 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,0,0,0,0,0|3,0,0]=4 507 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|1,1,1]=4 512 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|1,1,1]=4 513 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,0|1,0,0]=2 514 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,0|1,0,0]=2 515 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,0|1,0,0]=2 516 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,0,0,0,0,0|3,0,0]=4 517 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,0,0,0,0,0|3,0,0]=4 518 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,0,0,0,0,0|2,0,0]=3 519 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,0,0,0,0,0|2,0,0]=3 520 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,0,0,0,0,0|2,0,0]=3 521 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,0,0,0,0,0|2,0,0]=3 522 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,0|1,0,1]=3 523 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,0|1,0,1]=3 524 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,0|1,0,1]=3 525 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|1,0,0]=2 526 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,0|1,0,1]=3 527 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,0|1,0,1]=3 528 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|0,0,2]=3 529 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,0|2,0,0]=3 530 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,0,0,0,0,0|1,0,1]=3 531 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,0|2,0,0]=3 532 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,0,0|1,0,0]=2 533 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,0,0,0,0|2,0,0]=3 534 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,0,0|1,0,0]=2 535 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,0,0|1,0,0]=2 538 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,0,0,0,0|2,0,0]=3 540 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,0,0,0,0|2,0,0]=3 541 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,0,0,0,0|2,0,0]=3 542 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,0,0|1,0,0]=2 543 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,0|1,0,2]=4 548 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,0|1,0,2]=4 549 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,0|1,0,2]=4 550 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,0,0,0,0,0|2,0,0]=3 551 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,0,0|1,0,0]=2 552 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,0,0,0,0,0|3,0,0]=4 553 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,0,0|1,0,0]=2 554 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,0|1,0,1]=3 555 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,0|3,0,0]=4 559 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,0|3,0,0]=4 562 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,0|2,0,0]=3 563 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|1,0,0]=2 564 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,0,0,0,0,0|1,0,1]=3 565 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,0,0,0,0|2,0,0]=3 566 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,1,0,0,0,0|2,0,1]=4 567 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|2,0,1]=4 568 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|1,0,2]=4 569 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,1,0,0,0,0|2,0,0]=3 570 B9R0.7 C=C(C)C(=O)NCC(=O)N 11a_100000711301_100000185857 [0,1,0,0,0,0|3,0,0]=4 571 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,1,0,0,0,0|2,0,0]=3 572 B9R0.7 C=C(C)C(=O)NNC(=O)C 22a_100000189765_100000185857 [0,1,0,0,0,0|3,0,0]=4 573 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,1,0,0,0,0|2,0,0]=3 574 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|2,0,0]=3 575 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|2,0,0]=3 576 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,1,0,0,0,0|2,0,0]=3 577 B9R0.7 C=C(C)CCC(=O)C(O)O 1458a_100000233687_100000730704 [0,1,0,0,0,0|3,0,0]=4 578 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,1,0,0,0,0|2,0,0]=3 579 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,1,0,0,0,0|2,0,0]=3 580 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,1,0,0,0,0|2,0,0]=3 581 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,1,0,0,0,0|2,0,0]=3 582 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,1,0,0,0,0|2,0,0]=3 583 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,1,0,0,0,0|2,0,0]=3 584 B9R0.7 C=C(C)CNC(=O)C(=C)C 11a_100000765925_100000185857 [0,1,0,0,0,0|3,0,0]=4 585 B9R0.7 C=C(C)CNC(=O)C(=C)C 1626a_100000765925_100000185857 [0,1,0,0,0,0|3,0,0]=4 586 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [0,1,0,0,0,0|3,0,0]=4 587 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [0,1,0,0,0,0|3,0,0]=4 588 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [0,1,0,0,0,0|3,0,0]=4 589 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [0,1,0,0,0,0|3,0,0]=4 590 B9R0.7 C=C(C)CNC(=O)C(C)F 11a_100000765925_100000062450 [0,1,0,0,0,0|3,0,0]=4 591 B9R0.7 C=C(C)CNC(=O)C(C)F 1626a_100000765925_100000062450 [0,1,0,0,0,0|3,0,0]=4 592 B9R0.7 C=C(C)CNC(=O)C(C)F 240690a_100000765925_100000062450 [0,1,0,0,0,0|3,0,0]=4 593 B9R0.7 C=C(C)CNC(=O)C(C)F 527a_100000765925_100000062450 [0,1,0,0,0,0|3,0,0]=4 594 B9R0.7 C=C(C)CNC(=O)N(C)C 2708a_100000765925_100102631434 [0,1,0,0,0,0|3,0,0]=4 595 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [0,1,0,0,0,0|3,0,0]=4 596 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [0,1,0,0,0,0|3,0,0]=4 597 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [0,1,0,0,0,0|3,0,0]=4 598 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,0|2,0,1]=4 599 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,0|2,0,1]=4 600 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [0,1,0,0,0,0|2,0,1]=4 601 B9R0.7 CC(=CCC(=O)N(C)C)C 11a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 602 B9R0.7 CC(=CCC(=O)N(C)C)C 1626a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 603 B9R0.7 CC(=CCC(=O)N(C)C)C 240690a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 604 B9R0.7 CC(=CCC(=O)N(C)C)C 527a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 605 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,1,0,0,0,0|2,0,1]=4 606 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,1,0,0,0,0|2,0,1]=4 607 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,1,0,0,0,0|1,0,2]=4 608 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_100000070787_100009813398 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_200000036841_200000210301 [0,1,0,0,0,0|3,0,0]=4 610 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|1,0,0]=2 611 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,1,0,0,0,0|3,0,0]=4 612 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,0|3,0,0]=4 614 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|2,0,0]=3 615 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,0|2,0,0]=3 616 B9R0.7 CC(=O)CSC(=S)N(C)C 1458a_100000016564_200000210301 [0,1,0,0,0,0|2,1,0]=4 617 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,0|2,0,0]=3 619 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,1,0,0,0,0|2,0,0]=3 620 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 621 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 622 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,1,0,0,0,0|2,0,0]=3 623 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 624 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,1,0,0,0,0|2,0,0]=3 625 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 626 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,1,0,0,0,0|3,0,0]=4 627 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,1,0,0,0,0|3,0,0]=4 628 B9R0.7 CC(=O)NNC(=O)C(C)F 22a_100000189765_100000062450 [0,1,0,0,0,0|3,0,0]=4 629 B9R0.7 CC(=O)NNC(=O)[C@@H](C)O 22a_100000189765_100000717761 [0,1,0,0,0,0|3,0,0]=4 630 B9R0.7 CC(=O)NNC(=O)[C@H](C)O 22a_100000189765_217856618621 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,0|2,0,0]=3 632 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,1,0,0,0,0|2,0,0]=3 633 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,1,0,0,0,0|2,0,0]=3 634 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,1,0,0,0,0|2,0,0]=3 635 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,0|2,0,0]=3 636 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,1,0,0,0,0|2,0,0]=3 637 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,1,0,0,0,0|2,0,0]=3 638 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,1,0,0,0,0|2,0,0]=3 639 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,0|2,0,0]=3 640 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [0,1,0,0,0,0|3,0,0]=4 641 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,1,0,0,0,0|3,0,0]=4 642 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,0|3,0,0]=4 643 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,0|3,0,0]=4 644 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,0|3,0,0]=4 645 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,0|3,0,0]=4 646 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|2,0,0]=3 647 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,1,0,0,0,0|2,0,1]=4 648 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,1,0,0,0,0|2,0,1]=4 649 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,1,0,0,0,0|2,0,1]=4 650 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,1,0,0,0,0|2,0,1]=4 651 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,1,0,0,0,0|2,0,1]=4 652 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,1,0,0,0,0|2,0,1]=4 653 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,1,0,0,0,0|2,0,1]=4 654 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|2,0,1]=4 656 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,0|3,0,0]=4 657 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [0,1,0,0,0,0|3,0,0]=4 658 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [0,1,0,0,0,0|3,0,0]=4 659 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [0,1,0,0,0,0|3,0,0]=4 660 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,0|1,0,2]=4 661 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,1,0,0,0,0|1,0,2]=4 662 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,1,0,0,0,0|1,0,2]=4 663 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|1,0,2]=4 664 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|1,0,2]=4 665 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,1,0,0,0,0|1,0,2]=4 666 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,1,0,0,0,0|2,0,0]=3 667 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,1,0,0,0,0|2,0,0]=3 668 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|1,0,0]=2 669 B9R0.7 CN(C)C(=O)CC[N+](=O)[O-] 11a_100102631434_200000064761 [0,1,0,0,0,0|3,0,0]=4 670 B9R0.7 CN(C)C(=O)CC[N+](=O)[O-] 1626a_100102631434_200000064761 [0,1,0,0,0,0|3,0,0]=4 671 B9R0.7 CN(C)C(=O)CC[N+](=O)[O-] 240690a_100102631434_200000064761 [0,1,0,0,0,0|3,0,0]=4 672 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 674 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 675 B9R0.7 CN(C)C(=O)CNC(=O)N 240690a_100102631434_100000184981 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.7 CN(C)C(=O)CNC(=O)N 527a_100102631434_100000184981 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.7 CN(C)C(=O)CSC(=O)N 240690a_100102631434_200015941356 [0,1,0,0,0,0|3,0,0]=4 678 B9R0.7 CN(C)C(=S)SCC(=O)[13CH3] 1458a_100000016564_200025704644 [0,1,0,0,0,0|2,1,0]=4 679 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 680 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,1,0,0,0,0|3,0,0]=4 681 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 682 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,1,0,0,0,0|3,0,0]=4 683 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,1,0,0,0,0|3,0,0]=4 686 B9R0.7 [13CH3]C(=O)CCC(=C(F)F)F 1458a_200000036841_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.21 C#CC(=O)CCS(=O)(=O)C 1458a_100000211873_100000731031 [0,1,0,0,0,0|2,0,1]=4 688 B9R0.21 C=CC(=O)CCS(=O)(=O)C 1458a_100000185746_100000731031 [0,1,0,0,0,0|2,0,1]=4 689 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,1,0,0,0,0|2,0,1]=4 690 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,1,0,0,0,0|2,0,0]=3 693 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,1,0,0,0,0|2,0,0]=3 694 B9R0.21 CCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210202 [0,1,0,0,0,0|3,0,0]=4 695 B9R0.21 CCC(=O)CCS(=O)(=O)[O-] 1458a_100000210414_100000762736 [0,1,0,0,0,0|3,0,0]=4 696 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,1,0,0,0,0|3,0,0]=4 697 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,1,0,0,0,0|2,1,0]=4 698 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,1,0,0,0,0|2,1,0]=4 699 B9R0.21 CCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210202 [0,1,0,0,0,0|3,0,0]=4 700 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,1,0,0,0,0|2,0,1]=4 701 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,1,0,0,0,0|2,0,1]=4 702 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,1,0,0,0,0|2,0,1]=4 703 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,1,0,0,0,0|2,0,1]=4 704 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,1,0,0,0,0|2,0,1]=4 705 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,1,0,0,0,0|2,0,1]=4 706 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,1,0,0,0,0|2,0,1]=4 707 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [0,1,0,0,0,0|2,0,0]=3 709 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [0,1,0,0,0,0|2,0,0]=3 710 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [0,1,0,0,0,0|2,0,0]=3 711 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [0,1,0,0,0,0|2,0,0]=3 712 B9R0.21 CNC(=O)CCS(=O)(=O)N 240690a_100102657272_100000737202 [0,1,0,0,0,0|3,0,0]=4 713 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,1,0,0,0,0|2,1,0]=4 714 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,1,0,0,0,0|2,1,0]=4 715 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,1,0,0,0,0|2,1,0]=4 716 B9R0.21 CNC(=O)CNS(=O)(=O)C 11a_106832991635_100000737300 [0,1,0,0,0,0|3,0,0]=4 717 B9R0.21 CNC(=O)CNS(=O)(=O)C 1626a_100102657272_100000737300 [0,1,0,0,0,0|3,0,0]=4 718 B9R0.21 CNC(=O)CNS(=O)(=O)C 240690a_100102657272_100000737300 [0,1,0,0,0,0|3,0,0]=4 719 B9R0.21 CNC(=O)CNS(=O)(=O)C 40a_100000693194_100000738038 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,1,0,0,0,0|2,0,1]=4 721 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,1,0,0,0,0|2,0,1]=4 722 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,1,0,0,0,0|2,0,1]=4 724 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,1,0,0,0,0|2,0,1]=4 725 B9R0.21 CS(=O)(=O)CCC(=O)CF 1458a_100000737124_100015361967 [0,1,0,0,0,0|3,0,0]=4 726 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [0,1,0,0,0,0|3,0,0]=4 727 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [0,1,0,0,0,0|2,0,1]=4 728 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.23 C=C(C)CN(C)C(=O)CC 11a_100000225649_100000210414 [0,1,0,0,0,0|3,0,0]=4 730 B9R0.23 C=C(C)CN(C)C(=O)CC 1626a_100000225649_100000210414 [0,1,0,0,0,0|3,0,0]=4 731 B9R0.23 C=C(C)CN(C)C(=O)CC 527a_100000225649_100000210414 [0,1,0,0,0,0|3,0,0]=4 732 B9R0.23 C=C(C)CN(C)C(=O)NC 2708a_100102657272_100000225649 [0,1,0,0,0,0|3,0,0]=4 733 B9R0.23 C=C(C)CN(C)C(=O)NC 273464a_100102657272_100000225649 [0,1,0,0,0,0|3,0,0]=4 734 B9R0.23 C=C(NC(=O)C)C(=O)NC 240690a_100102657272_100000758921 [0,1,0,0,0,0|2,0,1]=4 735 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [0,1,0,0,0,0|3,0,0]=4 737 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,0,0,0,0|3,0,0]=4 738 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,1,0,0,0,0|3,0,0]=4 739 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,0,0,0,0|2,0,1]=4 740 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,1,0,0,0,0|3,0,0]=4 741 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,1,0,0,0,0|2,0,0]=3 742 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,1,0,0,0,0|3,0,0]=4 743 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,1,0,0,0,0|3,0,0]=4 744 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,1,0,0,0,0|2,0,0]=3 745 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,1,0,0,0,0|2,0,0]=3 747 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,1,0,0,0,0|3,0,0]=4 748 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,1,0,0,0,0|3,0,0]=4 749 B9R0.23 CNC(=O)C(=O)CC(=O)N 1458a_100011218921_100000187820 [0,1,0,0,0,0|2,0,1]=4 750 B9R0.23 CNC(=O)C(=O)CC(=O)[O-] 1458a_100011218921_100020667443 [0,1,0,0,0,0|2,0,1]=4 751 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,1,0,0,0,0|3,0,0]=4 752 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,1,0,0,0,0|3,0,0]=4 753 B9R0.23 CNC(=O)N(C)CC(=O)N 2708a_100102657272_100000739694 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.23 CNC(=O)N(C)CC(=O)N 273464a_100102657272_100000739694 [0,1,0,0,0,0|3,0,0]=4 755 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [0,1,0,0,0,0|2,0,0]=3 756 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [0,1,0,0,0,0|2,0,0]=3 757 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [0,1,0,0,0,0|2,0,0]=3 758 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [0,1,0,0,0,0|2,0,0]=3 759 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [0,1,0,0,0,0|2,0,0]=3 760 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [0,1,0,0,0,0|2,0,0]=3 761 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [0,1,0,0,0,0|2,0,0]=3 762 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,1,0,0,0,0|2,0,0]=3 765 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,1,0,0,0,0|2,0,0]=3 766 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,1,0,0,0,0|2,0,0]=3 767 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,1,0,0,0,0|2,0,0]=3 768 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,0,0|2,0,0]=3 769 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,0|2,0,1]=4 772 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,1,0,0,0,0|1,0,0]=2 776 B9R0.23 CON(C)C(=O)CC(=O)C 1458a_100000070787_100000764215 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,1,0,0,0,0|2,0,1]=4 780 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,1,0,0,0,0|2,0,1]=4 781 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,1,0,0,0,0|2,0,1]=4 782 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [0,1,0,0,0,0|2,0,1]=4 783 B9R0.24 C=CC(=O)NCC(=O)CF 1458a_200011222540_100015361967 [0,1,0,0,0,0|2,0,1]=4 784 B9R0.24 C=CC(=O)NCC(=O)NC 11a_106832991635_200011222540 [0,1,0,0,0,0|2,0,1]=4 785 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100000693194_200121576911 [0,1,0,0,0,0|2,0,1]=4 786 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100102657272_200011222540 [0,1,0,0,0,0|2,0,1]=4 787 B9R0.24 C=CC(=O)NCC(=O)NC 527a_100102657272_200011222540 [0,1,0,0,0,0|2,0,1]=4 788 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,1,0,0,0,0|2,0,1]=4 789 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,1,0,0,0,0|2,0,1]=4 790 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,1,0,0,0,0|1,0,2]=4 791 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,0,0,0,0|1,0,0]=2 792 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|0,0,0]=1 793 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|2,0,1]=4 794 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,0|3,0,0]=4 795 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|2,0,0]=3 796 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,1,0,0,0,0|2,0,0]=3 797 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|1,0,0]=2 798 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,1,0,0,0,0|2,0,1]=4 799 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,1,0,0,0,0|2,0,0]=3 801 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,1,0,0,0,0|2,0,0]=3 802 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,1,0,0,0,0|2,0,0]=3 803 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,1,0,0,0,0|2,0,0]=3 804 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,1,0,0,0,0|2,0,0]=3 805 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,1,0,0,0,0|2,0,0]=3 806 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,1,0,0,0,0|2,0,0]=3 807 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,1,0,0,0,0|2,0,0]=3 808 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|1,0,0]=2 809 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,1,0,0,0,0|2,0,1]=4 810 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,1,0,0,0,0|2,0,1]=4 811 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,1,0,0,0,0|2,0,1]=4 812 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,1,0,0,0,0|2,0,1]=4 813 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [0,1,0,0,0,0|3,0,0]=4 814 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [0,1,0,0,0,0|3,0,0]=4 815 B9R0.24 CCC(=O)NNC(=O)NC 273464a_100102657272_100000183195 [0,1,0,0,0,0|3,0,0]=4 816 B9R0.24 CCC(=O)NNC(=O)NC 512a_106832991638_100000183195 [0,1,0,0,0,0|3,0,0]=4 817 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,0|2,0,1]=4 818 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|2,0,1]=4 822 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,0|2,0,1]=4 823 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,0|2,0,1]=4 824 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,0|2,0,1]=4 825 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,0|2,0,1]=4 826 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|1,0,2]=4 827 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|1,0,2]=4 828 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,1,0,0,0,0|3,0,0]=4 829 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,1,0,0,0,0|3,0,0]=4 830 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,1,0,0,0,0|3,0,0]=4 831 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,1,0,0,0,0|3,0,0]=4 832 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,1,0,0,0,0|3,0,0]=4 833 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,1,0,0,0,0|3,0,0]=4 834 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 835 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 836 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 837 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 838 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|2,0,0]=3 839 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 841 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,1,0,0,0,0|2,0,0]=3 842 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,1,0,0,0,0|2,0,0]=3 843 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 844 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 845 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 846 B9R0.24 CNC(=O)C=CC(=O)CF 1458a_100016259477_100015361967 [0,1,0,0,0,0|1,0,2]=4 847 B9R0.24 CNC(=O)C=CC(=O)NC 1626a_100102657272_100016259477 [0,1,0,0,0,0|1,0,2]=4 848 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,1,0,0,0,0|0,0,2]=3 849 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,1,0,0,0,0|1,0,0]=2 850 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,1,0,0,0,0|1,0,0]=2 851 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,1,0,0,0,0|1,0,0]=2 852 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,1,0,0,0,0|1,0,0]=2 853 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,1,0,0,0,0|1,0,0]=2 854 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,0,0,0,0|0,0,0]=1 855 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,0,0,0,0|0,0,0]=1 856 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,0,0,0,0|0,0,0]=1 857 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,0,0,0,0|0,0,0]=1 858 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,1,0,0,0,0|3,0,0]=4 859 B9R0.24 CNC(=O)CNC(=O)CO 240690a_100000693194_100000210174 [0,1,0,0,0,0|2,0,0]=3 860 B9R0.24 CNC(=O)CNC(=O)CO 527a_100000693194_100000210174 [0,1,0,0,0,0|2,0,0]=3 861 B9R0.24 CNC(=O)CNC(=O)NC 2708a_100102657272_100000693194 [0,1,0,0,0,0|2,0,0]=3 862 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100000693194_100102657272 [0,1,0,0,0,0|2,0,0]=3 863 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100102657272_100000693194 [0,1,0,0,0,0|2,0,0]=3 864 B9R0.24 CNC(=O)CNC(=O)NC 512a_106832991638_100000693194 [0,1,0,0,0,0|2,0,0]=3 865 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,1,0,0,0,0|1,0,0]=2 866 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,1,0,0,0,0|1,0,0]=2 867 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,1,0,0,0,0|1,0,0]=2 868 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,1,0,0,0,0|1,0,0]=2 869 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,1,0,0,0,0|2,0,1]=4 870 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,1,0,0,0,0|2,0,1]=4 871 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,1,0,0,0,0|2,0,1]=4 875 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,1,0,0,0,0|2,0,1]=4 876 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,1,0,0,0,0|2,0,1]=4 877 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,0,0,0,0|0,0,0]=1 878 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,0|2,0,0]=3 879 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,1,0,0,0,0|1,0,0]=2 880 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,0|1,0,2]=4 882 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,1,0,0,0,0|2,0,1]=4 883 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,0|2,0,1]=4 885 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 886 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,1,0,0,0,0|2,0,1]=4 888 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,0|1,0,2]=4 889 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,0|1,0,2]=4 890 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,0|1,0,2]=4 891 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,0|1,0,2]=4 892 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,0|1,0,2]=4 893 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,1,0,0,0,0|1,0,0]=2 894 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,1,0,0,0,0|2,0,1]=4 895 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,1,0,0,0,0|2,0,1]=4 896 B9R0.42 C#CC(=O)CC(=O)C(=O)C 1458a_100000211873_100011261029 [0,1,0,0,0,0|1,0,2]=4 897 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,1,0,0,0,0|2,0,1]=4 898 B9R0.42 C=C(C)C(=O)CC(=O)NC 1458a_100000185857_100000183359 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,1,0,0,0,0|1,0,1]=3 900 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,1,0,0,0,0|1,0,2]=4 901 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.42 CC(=O)N(C)CC(=O)CF 1458a_100000194957_100015361967 [0,1,0,0,0,0|3,0,0]=4 903 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|1,0,1]=3 904 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,1,0,0,0,0|3,0,0]=4 905 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,1,0,0,0,0|2,0,0]=3 906 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,1,0,0,0,0|3,0,0]=4 907 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,1,0,0,0,0|2,0,0]=3 909 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,1,0,0,0,0|3,0,0]=4 910 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,1,0,0,0,0|3,0,0]=4 911 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,1,0,0,0,0|3,0,0]=4 912 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,0,0,0,0|3,0,0]=4 913 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,0,0,0,0|3,0,0]=4 914 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [0,1,0,0,0,0|3,0,0]=4 918 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [0,1,0,0,0,0|3,0,0]=4 919 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [0,1,0,0,0,0|2,0,0]=3 921 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [0,1,0,0,0,0|2,0,0]=3 922 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [0,1,0,0,0,0|2,0,0]=3 923 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [0,1,0,0,0,0|2,0,0]=3 925 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [0,1,0,0,0,0|2,0,0]=3 926 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [0,1,0,0,0,0|2,0,0]=3 927 B9R0.42 CNC(=O)CN(C)C(=O)N 240690a_100102657272_100000218718 [0,1,0,0,0,0|3,0,0]=4 928 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [0,1,0,0,0,0|3,0,0]=4 929 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [0,1,0,0,0,0|3,0,0]=4 930 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,0,0,0,0|1,0,2]=4 933 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,0,0,0,0|1,0,2]=4 934 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,1,0,0,0,0|1,0,2]=4 935 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,1,0,0,0,0|2,0,1]=4 936 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,0,0,0,0|0,0,3]=4 937 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,0,0,0,0|0,0,3]=4 938 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,0,0|0,0,0]=1 939 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,0,0|0,0,0]=1 940 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,1,0,0,0,0|2,0,0]=3 941 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,1,0,0,0,0|2,0,0]=3 942 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,1,0,0,0,0|1,0,0]=2 943 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,1,0,0,0,0|1,0,0]=2 944 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,1,0,0,0,0|1,0,0]=2 945 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,1,0,0,0,0|1,0,0]=2 946 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,1,0,0,0,0|2,0,1]=4 947 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,0|2,0,1]=4 950 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,1,0,0,0,0|2,0,1]=4 951 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,1,0,0,0,0|2,0,1]=4 952 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,1,0,0,0,0|2,0,1]=4 953 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,1,0,0,0,0|2,0,1]=4 954 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,1,0,0,0,0|2,0,1]=4 955 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,1,0,0,0,0|3,0,0]=4 956 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,1,0,0,0,0|3,0,0]=4 957 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,1,0,0,0,0|3,0,0]=4 958 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,1,0,0,0,0|3,0,0]=4 959 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,1,0,0,0,0|3,0,0]=4 960 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,1,0,0,0,0|0,0,2]=3 961 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,1,0,0,0,0|0,0,2]=3 962 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,1,0,0,0,0|0,0,2]=3 963 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,1,0,0,0,0|2,0,1]=4 964 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [0,1,0,0,0,0|1,0,2]=4 965 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [0,1,0,0,0,0|1,0,2]=4 966 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [0,1,0,0,0,0|1,0,2]=4 967 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [0,1,0,0,0,0|1,0,2]=4 968 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_100011220946_100000730704 [0,1,0,0,0,0|2,0,1]=4 969 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_200000688413_100000184674 [0,1,0,0,0,0|2,0,1]=4 970 B9R0.48 C#CCC(=O)CCC(=O)N 1458a_100011215257_100000184674 [0,1,0,0,0,0|2,0,1]=4 971 B9R0.48 C#CCC(=O)CNC(=O)C 1458a_100000194580_100000184674 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,1,0,0,0,0|2,0,1]=4 973 B9R0.48 C#CCC(=O)CSC(=O)C 1458a_100000049016_100000184674 [0,1,0,0,0,0|2,0,1]=4 974 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,1,0,0,0,0|2,0,0]=3 975 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,1,0,0,0,0|2,0,0]=3 977 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,1,0,0,0,0|2,0,1]=4 978 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_100051588842_100000730704 [0,1,0,0,0,0|2,0,1]=4 980 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_200000688413_100011214920 [0,1,0,0,0,0|2,0,1]=4 981 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,1,0,0,0,0|2,0,0]=3 985 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,1,0,0,0,0|1,0,0]=2 987 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,1,0,0,0,0|1,1,0]=3 988 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,1,0,0,0,0|2,0,0]=3 989 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,1,0,0,0,0|2,0,0]=3 990 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,1,0,0,0,0|2,0,0]=3 992 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [0,1,0,0,0,0|3,0,0]=4 993 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [0,1,0,0,0,0|3,0,0]=4 994 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [0,1,0,0,0,0|3,0,0]=4 995 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 996 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 997 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 998 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,1,0,0,0,0|3,0,0]=4 999 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,1,0,0,0,0|3,0,0]=4 1000 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,1,0,0,0,0|2,0,0]=3 1001 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,1,0,0,0,0|2,0,0]=3 1002 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,1,0,0,0,0|2,0,0]=3 1003 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,1,0,0,0,0|2,0,0]=3 1004 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,1,0,0,0,0|2,1,0]=4 1005 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,1,0,0,0,0|2,1,0]=4 1006 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,1,0,0,0,0|2,1,0]=4 1007 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,1,0,0,0,0|2,1,0]=4 1008 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,1,0,0,0,0|3,0,0]=4 1009 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,1,0,0,0,0|3,0,0]=4 1010 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,1,0,0,0,0|3,0,0]=4 1011 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,1,0,0,0,0|3,0,0]=4 1013 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,1,0,0,0,0|3,0,0]=4 1014 B9R0.48 C=C(C)CNC(=O)NNC 273464a_100000765925_100016993582 [0,1,0,0,0,0|3,0,0]=4 1015 B9R0.48 C=C(C)CNC(=O)NNC 512a_100000765925_100016993582 [0,1,0,0,0,0|3,0,0]=4 1016 B9R0.48 C=C(C)CNC(=O)NNC 512a_100016993582_100000765925 [0,1,0,0,0,0|3,0,0]=4 1017 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,1,0,0,0,0|2,0,1]=4 1023 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,1,0,0,0,0|1,0,2]=4 1026 B9R0.48 CC#CC(=O)NNC(=O)C 22a_100000189765_100000763181 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,1,0,0,0,0|2,0,1]=4 1030 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.48 CC(=O)NCC(=O)CC#N 1458a_100000194580_100011214920 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,1,0,0,0,0|2,0,0]=3 1033 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,1,0,0,0,0|2,0,0]=3 1034 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,1,0,0,0,0|3,0,0]=4 1035 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,1,0,0,0,0|2,1,0]=4 1036 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,1,0,0,0,0|2,1,0]=4 1037 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,1,0,0,0,0|2,0,0]=3 1039 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,1,0,0,0,0|2,0,0]=3 1040 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,1,0,0,0,0|1,1,0]=3 1041 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,1,0,0,0,0|1,1,0]=3 1042 B9R0.48 CC(=O)SCC(=O)CC#N 1458a_100000049016_100011214920 [0,1,0,0,0,0|2,0,1]=4 1043 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,1,0,0,0,0|2,0,0]=3 1044 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,1,0,0,0,0|2,0,0]=3 1045 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,1,0,0,0,0|2,0,1]=4 1048 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,1,0,0,0,0|1,0,2]=4 1049 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,1,0,0,0,0|1,0,2]=4 1052 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,1,0,0,0,0|3,0,0]=4 1053 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,1,0,0,0,0|3,0,0]=4 1054 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,1,0,0,0,0|3,0,0]=4 1055 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|2,0,0]=3 1058 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|1,0,2]=4 1061 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|2,0,0]=3 1064 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,1,0,0,0,0|3,0,0]=4 1065 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|2,0,0]=3 1067 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1069 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,0,0,0,0|3,0,0]=4 1070 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|2,0,0]=3 1073 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 1075 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 1076 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|1,0,0]=2 1078 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,0,0,0,0|2,0,0]=3 1079 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,0,0,0,0|2,0,0]=3 1080 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|1,0,0]=2 1081 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,1,0,0,0,0|3,0,0]=4 1085 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,1,0,0,0,0|3,0,0]=4 1086 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,1,0,0,0,0|3,0,0]=4 1088 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,1,0,0,0,0|3,0,0]=4 1089 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,1,0,0,0,0|2,0,0]=3 1094 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,1,0,0,0,0|2,0,0]=3 1095 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,1,0,0,0,0|2,0,0]=3 1096 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,1,0,0,0,0|2,0,0]=3 1097 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,1,0,0,0,0|2,0,0]=3 1098 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,1,0,0,0,0|2,0,0]=3 1099 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,1,0,0,0,0|2,0,0]=3 1100 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,0,0,0,0|2,0,0]=3 1103 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,0,0,0,0|2,0,0]=3 1104 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,1,0,0,0,0|2,0,0]=3 1105 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1109 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 1110 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,1,0,0,0,0|3,0,0]=4 1111 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,1,0,0,0,0|3,0,0]=4 1112 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,0,0,0,0|0,0,2]=3 1114 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,0,0,0,0|0,0,2]=3 1115 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|0,0,0]=1 1116 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|0,0,0]=1 1117 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,1,0,0,0,0|2,0,0]=3 1118 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,1,0,0,0,0|2,0,0]=3 1119 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,1,0,0,0,0|2,0,0]=3 1120 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,1,0,0,0,0|2,0,0]=3 1121 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,1,0,0,0,0|2,0,0]=3 1122 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,1,0,0,0,0|2,0,0]=3 1123 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,0,0,0,0|1,0,0]=2 1124 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,1,0,0,0,0|2,0,1]=4 1125 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|1,0,0]=2 1130 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|1,0,0]=2 1131 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,1,0,0,0,0|2,0,0]=3 1132 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,0,0,0,0|3,0,0]=4 1133 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,1,0,0,0,0|3,0,0]=4 1134 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,1,0,0,0,0|3,0,0]=4 1135 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,1,0,0,0,0|2,0,0]=3 1137 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,1,0,0,0,0|2,0,0]=3 1141 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,1,0,0,0,0|3,0,0]=4 1142 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,1,0,0,0,0|2,0,0]=3 1143 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.48 CNNC(=O)NNC(=O)C 512a_100000189765_100016993582 [0,1,0,0,0,0|3,0,0]=4 1146 B9R0.48 COCC(=NNC(=O)C)C 4a_100000189765_100000749346 [0,1,0,0,0,0|3,0,0]=4 1147 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,1,0,0,0,0|1,0,1]=3 1148 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,1,0,0,0,0|1,0,1]=3 1149 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,1,0,0,0,0|0,0,2]=3 1150 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,1,0,0,0,0|1,0,0]=2 1151 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1152 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1153 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,1,0,0,0,0|2,0,0]=3 1154 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,1,0,0,0,0|2,0,1]=4 1159 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,1,0,0,0,0|1,0,2]=4 1160 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,1,0,0,0,0|1,0,2]=4 1161 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,1,0,0,0,0|1,0,2]=4 1162 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,1,0,0,0,0|2,0,0]=3 1163 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,1,0,0,0,0|2,0,0]=3 1164 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,0|2,0,1]=4 1165 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,0|2,0,1]=4 1166 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,0|1,0,2]=4 1167 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,0|1,0,2]=4 1168 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,0|1,0,2]=4 1169 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,1,0,0,0,0|3,0,0]=4 1170 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,1,0,0,0,0|1,1,1]=4 1171 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,1,0,0,0,0|1,1,1]=4 1172 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,1,0,0,0,0|0,1,2]=4 1173 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,1,0,0,0,0|1,1,0]=3 1174 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,1,0,0,0,0|1,1,0]=3 1175 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,1,0,0,0,0|2,1,0]=4 1176 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,1,0,0,0,0|2,1,0]=4 1177 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,1,0,0,0,0|2,1,0]=4 1178 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,1,0,0,0,0|2,1,0]=4 1179 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,1,0,0,0,0|2,1,0]=4 1180 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,1,0,0,0,0|2,1,0]=4 1181 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,1,0,0,0,0|3,0,0]=4 1182 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,1,0,0,0,0|3,0,0]=4 1183 B9R0.48 N#CCC(=O)CCC(=O)N 1458a_100011215257_100011214920 [0,1,0,0,0,0|2,0,1]=4 1184 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,0,0,0,0|2,0,0]=3 1185 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,0,0,0,0|2,0,0]=3 1186 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,1,0,0,0,0|3,0,0]=4 1188 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,1,0,0,0,0|3,0,0]=4 1189 B9R0.48 O=C(CCF)CC[N+](=O)[O-] 1458a_200000064761_100011217306 [0,1,0,0,0,0|3,0,0]=4 1190 B9R0.48 O=C(CCO)CC[N+](=O)[O-] 1458a_200000064761_100000211926 [0,1,0,0,0,0|3,0,0]=4 1191 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [0,1,0,0,0,0|2,0,0]=3 1193 B9R0.64 COC(C)(C)CNC(=O)C 11a_100000763424_100015343762 [0,1,0,0,0,0|2,0,1]=4 1194 B9R0.64 COC(C)(C)CNC(=O)C 1626a_100000763424_100015343762 [0,1,0,0,0,0|2,0,1]=4 1195 B9R0.64 COC(C)(C)CNC(=O)C 240690a_100000763424_100015343762 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.64 COC(C)(C)CNC(=O)C 527a_100000763424_100103153847 [0,1,0,0,0,0|2,0,1]=4 1197 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,0|1,0,1]=3 1198 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,0|1,0,1]=3 1199 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,1,0,0|2,0,1]=4 1200 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,0|1,0,1]=3 1201 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,0|1,0,1]=3 1202 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,1,0,0|2,0,1]=4 1203 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [0,0,0,1,0,0|3,0,0]=4 1204 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,0|2,0,0]=3 1205 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|1,0,2]=4 1206 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|3,0,0]=4 1207 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,0|1,0,0]=2 1208 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,1,0,0|2,0,0]=3 1209 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,0,0,1,0,0|2,1,0]=4 1210 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [0,0,0,1,0,0|2,0,0]=3 1211 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [0,0,0,1,0,0|2,0,0]=3 1212 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [0,0,0,1,0,0|2,0,0]=3 1213 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [0,0,0,1,0,0|2,0,0]=3 1214 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,0|2,0,0]=3 1215 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,1,0,0|1,1,0]=3 1216 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [0,0,0,1,0,0|3,0,0]=4 1217 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|3,0,0]=4 1218 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,0|2,0,0]=3 1219 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|1,0,2]=4 1220 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,0|1,0,0]=2 1221 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,1,0,0|2,0,0]=3 1222 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,0,0,1,0,0|2,1,0]=4 1223 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,0|2,0,0]=3 1224 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,1,0,0|1,1,0]=3 1225 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 1226 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 1227 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 1228 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 1229 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,1,0,0|2,0,1]=4 1230 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,1,0,0|2,0,1]=4 1231 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,1,0,0|1,0,2]=4 1232 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,1,0,0|2,0,1]=4 1233 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,1,0,0|2,0,1]=4 1234 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,1,0,0|2,0,1]=4 1235 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,1,0,0|2,0,1]=4 1236 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,0,0,1,0,0|2,0,1]=4 1237 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,0,0,1,0,0|2,0,1]=4 1238 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,0,0,1,0,0|2,0,0]=3 1239 B9R1.82 C=C1CC(C1)C(=O)CF 1458a_100000065620_100015361967 [0,0,0,1,0,0|3,0,0]=4 1240 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [0,0,0,1,0,0|2,0,0]=3 1241 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [0,0,0,1,0,0|2,0,0]=3 1242 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [0,0,0,1,0,0|2,0,0]=3 1243 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [0,0,0,1,0,0|2,0,0]=3 1244 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,0,0,1,0,0|2,0,1]=4 1245 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,0,0,1,0,0|2,0,1]=4 1246 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,0,0,1,0,0|3,0,0]=4 1247 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,0,0,1,0,0|2,0,0]=3 1248 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,0,0,1,0,0|1,0,2]=4 1249 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [0,0,0,1,0,0|3,0,0]=4 1250 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,0,0,1,0,0|2,0,1]=4 1251 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,0,0,1,0,0|2,0,1]=4 1252 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,0,0,1,0,0|2,0,1]=4 1253 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,0,0,1,0,0|2,0,1]=4 1254 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,0,0,1,0,0|2,0,1]=4 1255 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,0,0,1,0,0|2,0,1]=4 1256 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,0,0,1,0,0|2,0,1]=4 1257 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,0,0,1,0,0|2,0,1]=4 1258 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,0,0,1,0,0|3,0,0]=4 1259 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,0,0,1,0,0|3,0,0]=4 1260 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,0,0,1,0,0|3,0,0]=4 1261 B9R1.82 CNC(=O)[C@@H]1CC(=O)N1 527a_100102657272_100016090685 [0,0,0,1,0,0|2,0,0]=3 1262 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,0,0,1,0,0|1,0,2]=4 1263 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,0,0,1,0,0|1,0,2]=4 1264 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,0,0,1,0,0|2,0,0]=3 1265 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,0,0,1,0,0|2,0,0]=3 1266 B9R1.82 O=C1C[C@H](N1)C(=O)CF 1458a_100016090685_100015361967 [0,0,0,1,0,0|3,0,0]=4 1267 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|3,0,0]=4 1268 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 1269 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 1270 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 1271 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|2,0,1]=4 1272 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,0,1,0,0|1,0,1]=3 1273 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,0,1,0,0|1,0,1]=3 1274 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,0,0,1,0,0|2,0,1]=4 1275 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,0,0,1,0,0|2,0,1]=4 1276 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,0,0,1,0,0|2,0,1]=4 1277 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,0,0,1,0,0|2,0,1]=4 1278 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,0,0,1,0,0|2,0,1]=4 1279 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,0,0,1,0,0|2,0,1]=4 1280 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,0,0,1,0,0|2,0,1]=4 1281 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,0,0,1,0,0|2,0,1]=4 1282 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,0,0,1,0,0|2,0,1]=4 1283 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,0,0,0,1,0|2,0,1]=4 1284 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [0,0,0,0,1,0|2,0,1]=4 1285 B7R0.2 C#CC(=O)CC(=O)[O-] 1458a_100000211873_100020667443 [0,0,0,0,1,0|2,0,1]=4 1286 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,0,0,0,1,0|3,0,0]=4 1287 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,1,0|2,0,0]=3 1288 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,0,0,0,1,0|3,0,0]=4 1289 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,0,0,1,0|2,0,1]=4 1290 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,0,0,0,1,0|2,0,1]=4 1291 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,0,0,0,1,0|2,0,1]=4 1292 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,0,0,0,1,0|2,0,1]=4 1293 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,1,0|2,0,1]=4 1294 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,1,0|2,0,1]=4 1295 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,1,0|2,0,1]=4 1296 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,0,0,1,0|2,0,1]=4 1297 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,0,0,1,0|2,0,1]=4 1298 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,1,0|1,0,0]=2 1299 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,1,0|2,0,0]=3 1300 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,1,0|2,0,0]=3 1301 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,1,0|2,0,0]=3 1302 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,0,0,1,0|2,0,1]=4 1303 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,0,0,1,0|2,0,1]=4 1304 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,1,0|1,0,2]=4 1305 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,0,0,0,1,0|3,0,0]=4 1306 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,0,0,0,1,0|3,0,0]=4 1307 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,1,0|1,0,2]=4 1308 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,0,0,0,1,0|3,0,0]=4 1309 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,0,0,0,1,0|3,0,0]=4 1310 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,1,0|2,0,1]=4 1311 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,1,0|2,0,1]=4 1312 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,1,0|2,0,1]=4 1313 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,1,0|1,0,2]=4 1314 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,1,0|1,0,2]=4 1315 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,1,0|1,0,2]=4 1316 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,1,0|3,0,0]=4 1317 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,1,0|3,0,0]=4 1318 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,1,0|2,0,1]=4 1319 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,0,0,1,0|2,0,1]=4 1320 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,0,0,1,0|2,0,1]=4 1321 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,0,0,1,0|2,0,1]=4 1322 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,0,0,1,0|2,0,1]=4 1323 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,0,0,1,0|2,0,1]=4 1324 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,0,0,1,0|2,0,1]=4 1325 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,0,0,1,0|2,0,1]=4 1326 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,0,0,1,0|2,0,1]=4 1327 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,1,0|1,0,0]=2 1328 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,1,0|2,0,0]=3 1329 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,1,0|2,0,0]=3 1330 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,0,0,0,1,0|2,0,1]=4 1331 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,0,0,0,1,0|2,0,1]=4 1332 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,0,0,0,1,0|2,0,1]=4 1333 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,0,0,0,1,0|2,0,1]=4 1334 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,0,0,0,1,0|3,0,0]=4 1335 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,0,0,0,1,0|3,0,0]=4 1336 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,0,0,0,1,0|3,0,0]=4 1337 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,0,0,0,1,0|3,0,0]=4 1338 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,0,0,0,1,0|3,0,0]=4 1339 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,0,0,0,1,0|3,0,0]=4 1340 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,0,0,0,1,0|3,0,0]=4 1341 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,0,0,1,0|1,0,2]=4 1342 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,0,0,0,1,0|3,0,0]=4 1343 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,0,0,0,1,0|3,0,0]=4 1344 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,0,0,0,1,0|3,0,0]=4 1345 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,0,0,0,1,0|3,0,0]=4 1346 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,1,0|0,0,0]=1 1347 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,1,0|0,0,0]=1 1348 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,1,0|0,0,0]=1 1349 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,0,0,0,1,0|2,0,0]=3 1350 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,0,0,0,1,0|2,0,0]=3 1351 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,0,0,0,1,0|2,0,0]=3 1352 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,0,0,0,1,0|2,0,0]=3 1353 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,0,0,0,1,0|3,0,0]=4 1354 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,0,0,0,1,0|3,0,0]=4 1355 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,0,0,0,1,0|3,0,0]=4 1356 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,0,0,0,0,1|2,0,1]=4 1357 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,0,0,0,0,1|1,0,1]=3 1358 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [0,0,0,0,0,1|2,0,1]=4 1359 B9R0.1 C#CC(=O)CCNC(=O)C 1458a_100000211873_100000189650 [0,0,0,0,0,1|1,0,1]=3 1360 B9R0.1 C#CC(=O)CCNC(=O)N 1458a_100000211873_200000034859 [0,0,0,0,0,1|2,0,1]=4 1361 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [0,0,0,0,0,1|1,0,1]=3 1362 B9R0.1 C#CC(=O)CCOC(=O)N 1458a_100000211873_200011214921 [0,0,0,0,0,1|2,0,1]=4 1363 B9R0.1 C=C(C#N)COCC(=O)C 34a_100000211253_100000694840 [0,0,0,0,0,1|3,0,0]=4 1364 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,0,0,0,0,1|2,0,1]=4 1365 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,0,0,0,0,1|2,0,1]=4 1366 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,0,0,0,0,1|2,0,0]=3 1367 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,0,0,0,0,1|2,0,1]=4 1368 B9R0.1 C=C(C)CNNC(=O)CC 22a_100000729518_100000210414 [0,0,0,0,0,1|3,0,0]=4 1369 B9R0.1 C=C(C)CNNC(=O)NC 273464a_100102657272_100000729518 [0,0,0,0,0,1|3,0,0]=4 1370 B9R0.1 C=C(C)CNNC(=O)NC 512a_100000729518_100102657272 [0,0,0,0,0,1|3,0,0]=4 1371 B9R0.1 C=C(C)CNNC(=O)NC 512a_106832991638_100000729518 [0,0,0,0,0,1|3,0,0]=4 1372 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,0,0,0,0,1|2,0,0]=3 1373 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,0,0,0,0,1|2,0,0]=3 1374 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,0,0,0,0,1|2,0,0]=3 1375 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,0,0,0,0,1|1,0,0]=2 1376 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,0,0,0,0,1|2,0,1]=4 1377 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,0,0,0,0,1|2,0,0]=3 1378 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,0,0,0,0,1|2,0,0]=3 1379 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,0,0,0,0,1|2,0,0]=3 1380 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,0,0,0,0,1|2,0,0]=3 1381 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,0,0,0,0,1|1,0,0]=2 1382 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,0,0,0,0,1|1,0,0]=2 1383 B9R0.1 C=C(F)CNCC(=O)NC 2230a_100000693194_100009893438 [0,0,0,0,0,1|2,0,1]=4 1384 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [0,0,0,0,0,1|2,0,1]=4 1385 B9R0.1 C=C(F)COCC(=O)NC 34a_100000750040_100009893438 [0,0,0,0,0,1|2,0,1]=4 1386 B9R0.1 C=C(F)COCC(=O)NC 34a_200010262243_100000183359 [0,0,0,0,0,1|2,0,1]=4 1387 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,0,0,0,0,1|1,0,1]=3 1388 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,0,0,0,0,1|2,0,1]=4 1389 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,0,0,0,0,1|2,0,1]=4 1390 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000042424_100000183359 [0,0,0,0,0,1|2,0,1]=4 1391 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000183359_100000042424 [0,0,0,0,0,1|2,0,1]=4 1392 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,0,0,0,0,1|1,0,1]=3 1393 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,0,0,0,0,1|1,0,1]=3 1394 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,0,0,0,0,1|2,0,1]=4 1395 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,0,0,0,0,1|1,0,1]=3 1396 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,0,0,0,0,1|2,0,1]=4 1397 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,0,0,0,0,1|1,0,1]=3 1398 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,0,0,0,0,1|2,0,1]=4 1399 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,0,0,0,0,1|1,0,1]=3 1400 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,0,0,0,0,1|2,0,1]=4 1401 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,0,0,0,0,1|2,0,1]=4 1402 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,0,0,0,0,1|1,0,1]=3 1403 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,0,0,0,0,1|1,0,1]=3 1404 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,0,0,0,0,1|1,0,1]=3 1405 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,0,0,0,0,1|3,0,0]=4 1406 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,0,0,0,0,1|2,0,1]=4 1407 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,0,0,0,0,1|2,0,1]=4 1408 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,0,0,0,0,1|2,0,0]=3 1409 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,0,0,0,0,1|2,0,0]=3 1410 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,0,0,0,0,1|2,0,0]=3 1411 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,0,0,0,0,1|2,0,0]=3 1412 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,0,0,0,0,1|2,0,0]=3 1413 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,0,0,0,0,1|2,0,1]=4 1414 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,0,0,0,1|2,0,0]=3 1415 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,0,0,0,0,1|3,0,0]=4 1416 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,0,0,0,0,1|1,0,0]=2 1417 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,0,0,0,0,1|2,0,0]=3 1418 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,0,0,0,0,1|2,0,1]=4 1419 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,0,0,0,0,1|2,0,1]=4 1420 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,0,0,0,0,1|1,0,2]=4 1421 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,0,0,0,0,1|3,0,0]=4 1422 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,0,0,0,0,1|3,0,0]=4 1423 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [0,0,0,0,0,1|3,0,0]=4 1424 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,0,0,0,0,1|1,0,0]=2 1425 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,0,0,0,0,1|1,0,0]=2 1426 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,0,0,0,0,1|2,0,0]=3 1427 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,0,0,0,0,1|2,0,0]=3 1428 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,0,0,0,0,1|1,0,0]=2 1429 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,0,0,0,0,1|2,0,0]=3 1430 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,0,0,0,0,1|2,0,1]=4 1431 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,0,0,0,0,1|1,0,0]=2 1432 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,0,0,0,0,1|2,0,1]=4 1433 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,0,0,0,0,1|2,0,0]=3 1434 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,0,0,0,0,1|2,0,0]=3 1435 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,0,0,0,0,1|2,0,0]=3 1436 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,0,0,0,0,1|2,0,0]=3 1437 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,0,0,0,0,1|2,0,1]=4 1438 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,0,0,0,0,1|2,0,1]=4 1439 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,0,0,0,0,1|1,0,2]=4 1440 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,0,0,0,0,1|1,0,2]=4 1441 B9R0.1 CCC(=O)COC[N+](=O)[O-] 34a_100000725409_100000761209 [0,0,0,0,0,1|3,0,0]=4 1442 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,0,0,0,0,1|2,0,0]=3 1443 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,0,0,0,0,1|2,0,0]=3 1444 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,0,0,0,0,1|2,0,0]=3 1445 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,0,0,0,0,1|2,0,0]=3 1446 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,0,0,0,0,1|2,0,1]=4 1447 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,0,0,0,0,1|2,0,1]=4 1448 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,0,0,0,0,1|1,0,2]=4 1449 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,0,0,0,0,1|1,0,2]=4 1450 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,0,0,0,0,1|1,0,2]=4 1451 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,0,0,0,0,1|1,0,2]=4 1452 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [0,0,0,0,0,1|3,0,0]=4 1453 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,0,0,0,0,1|2,0,1]=4 1454 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,0,0,0,0,1|2,0,1]=4 1455 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,0,0,0,0,1|2,0,1]=4 1456 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,0,0,0,0,1|2,0,0]=3 1457 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,0,0,0,0,1|2,0,0]=3 1458 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,0,0,0,0,1|2,0,0]=3 1459 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,0,0,0,0,1|2,0,1]=4 1460 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,0,0,0,0,1|2,0,1]=4 1461 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,0,0,0,0,1|2,0,1]=4 1462 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,0,0,0,0,1|2,0,1]=4 1463 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,0,0,0,0,1|1,0,2]=4 1464 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,0,0,0,0,1|1,0,2]=4 1465 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,0,0,0,0,1|3,0,0]=4 1466 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,0,0,0,0,1|3,0,0]=4 1467 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,0,0,0,1|2,0,1]=4 1468 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,0,0,0,1|2,0,1]=4 1469 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,0,0,0,1|2,0,1]=4 1470 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,0,0,0,1|2,0,1]=4 1471 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,0,0,0,0,1|2,0,1]=4 1472 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,0,0,0,1|2,0,1]=4 1473 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,0,0,0,1|2,0,1]=4 1474 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,0,0,0,1|2,0,1]=4 1475 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,0,0,0,0,1|2,0,1]=4 1476 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,0,0,0,0,1|2,0,1]=4 1477 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,0,0,0,0,1|1,0,2]=4 1478 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,0,0,0,0,1|3,0,0]=4 1479 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,0,0,0,0,1|3,0,0]=4 1480 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,0,0,0,0,1|3,0,0]=4 1481 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,0,0,0,0,1|3,0,0]=4 1482 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,0,0,0,0,1|3,0,0]=4 1483 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,0,0,0,0,1|2,0,1]=4 1484 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,0,0,0,0,1|1,0,0]=2 1485 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,0,0,0,0,1|2,0,1]=4 1486 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,0,0,0,0,1|2,0,1]=4 1487 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,0,0,0,0,1|2,0,1]=4 1488 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,0,0,0,0,1|2,0,1]=4 1489 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,0,0,0,0,1|1,0,2]=4 1490 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,0,0,0,0,1|1,0,2]=4 1491 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,0,0,0,0,1|3,0,0]=4 1492 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,0,0,0,0,1|3,0,0]=4 1493 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,0,0,0,0,1|3,0,0]=4 1494 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,0,0,0,0,1|3,0,0]=4 1495 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,0,0,0,0,1|3,0,0]=4 1496 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,0,0,0,0,1|3,0,0]=4 1497 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,0,0,0,0,1|3,0,0]=4 1498 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,0,0,0,0,1|3,0,0]=4 1499 B9R0.1 CNC(=O)CCN=C(N)N 240690a_100102657272_100000033030 [0,0,0,0,0,1|3,0,0]=4 1500 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,0,0,0,0,1|1,0,0]=2 1501 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,0,0,0,0,1|1,0,0]=2 1502 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,0,0,0,0,1|1,0,0]=2 1503 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,0,0,0,0,1|1,0,0]=2 1504 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,0,0,0,0,1|1,0,0]=2 1505 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,0,0,0,0,1|1,0,0]=2 1506 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,0,0,0,0,1|1,0,0]=2 1507 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [0,0,0,0,0,1|2,0,0]=3 1508 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [0,0,0,0,0,1|2,0,0]=3 1509 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,0,0,0,0,1|2,0,1]=4 1510 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,0,0,0,0,1|2,0,1]=4 1511 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,0,0,0,0,1|2,0,1]=4 1512 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,0,0,0,0,1|2,0,1]=4 1513 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,0,0,0,0,1|2,0,1]=4 1514 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,0,0,0,0,1|2,0,1]=4 1515 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,0,0,0,0,1|1,0,0]=2 1516 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,0,0,0,0,1|1,0,0]=2 1517 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,0,0,0,0,1|2,0,1]=4 1518 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,0,0,0,0,1|2,0,1]=4 1519 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [0,0,0,0,0,1|2,0,0]=3 1520 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [0,0,0,0,0,1|2,0,0]=3 1521 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,0,0,0,0,1|2,0,0]=3 1522 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,0,0,0,0,1|2,0,1]=4 1523 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,0,0,0,0,1|2,0,1]=4 1524 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,0,0,0,0,1|2,0,1]=4 1525 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,0,0,0,0,1|2,0,1]=4 1526 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,0,0,0,0,1|1,0,2]=4 1527 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,0,0,0,0,1|1,0,2]=4 1528 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,0,0,0,0,1|1,0,2]=4 1529 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,0,0,0,0,1|1,0,2]=4 1530 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,0,0,0,0,1|1,0,0]=2 1531 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [0,0,0,0,0,1|2,0,0]=3 1532 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [0,0,0,0,0,1|2,0,0]=3 1533 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [0,0,0,0,0,1|2,0,0]=3 1534 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [0,0,0,0,0,1|2,0,0]=3 1535 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [0,0,0,0,0,1|2,0,0]=3 1536 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,0,0,0,0,1|2,0,1]=4 1537 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,0,0,0,0,1|2,0,1]=4 1538 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,0,0,0,0,1|2,0,1]=4 1539 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,0,0,0,0,1|2,0,1]=4 1540 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,0,0,0,0,1|2,0,1]=4 1541 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,0,0,0,0,1|2,0,1]=4 1542 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,0,0,0,0,1|2,0,1]=4 1543 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,0,0,0,0,1|2,0,1]=4 1544 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,0,0,0,0,1|1,0,2]=4 1545 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,0,0,0,0,1|2,0,1]=4 1546 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,0,0,0,0,1|2,0,1]=4 1547 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,0,0,0,0,1|1,0,2]=4 1548 B9R0.1 CNC(=O)COC[N+](=O)[O-] 34a_100000750040_100000761209 [0,0,0,0,0,1|3,0,0]=4 1549 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [0,0,0,0,0,1|2,0,0]=3 1550 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [0,0,0,0,0,1|2,0,0]=3 1551 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [0,0,0,0,0,1|2,0,0]=3 1552 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [0,0,0,0,0,1|2,0,0]=3 1553 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [0,0,0,0,0,1|2,0,0]=3 1554 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [0,0,0,0,0,1|2,0,0]=3 1555 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [0,0,0,0,0,1|2,0,0]=3 1556 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,0,0,0,0,1|2,0,1]=4 1557 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,0,0,0,0,1|2,0,1]=4 1558 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,0,0,0,0,1|1,0,2]=4 1559 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,0,0,0,0,1|1,0,2]=4 1560 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,0,0,0,0,1|1,0,2]=4 1561 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,0,0,0,0,1|1,0,2]=4 1562 B9R0.1 CNC(=O)CSC[N+](=O)[O-] 62a_100000183359_100000761209 [0,0,0,0,0,1|3,0,0]=4 1563 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,0,0,0,0,1|2,0,1]=4 1564 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,0,0,0,0,1|2,0,1]=4 1565 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,0,0,0,0,1|2,0,1]=4 1566 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,0,0,0,0,1|2,0,1]=4 1567 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,0,0,0,0,1|2,0,1]=4 1568 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,0,0,0,0,1|2,0,1]=4 1569 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [0,0,0,0,0,1|2,0,0]=3 1570 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [0,0,0,0,0,1|2,0,0]=3 1571 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [0,0,0,0,0,1|2,0,0]=3 1572 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [0,0,0,0,0,1|2,0,0]=3 1573 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,0,0,0,0,1|2,0,1]=4 1574 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,0,0,0,0,1|2,0,1]=4 1575 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,0,0,0,0,1|2,0,1]=4 1576 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,0,0,0,0,1|2,0,1]=4 1577 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,0,0,0,0,1|2,0,1]=4 1578 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,0,0,0,0,1|2,0,1]=4 1579 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,0,0,0,0,1|1,0,2]=4 1580 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,0,0,0,0,1|1,0,2]=4 1581 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,0,0,0,0,1|1,0,2]=4 1582 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,0,0,0,0,1|1,0,2]=4 1583 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,0,0,0,0,1|3,0,0]=4 1584 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,0,0,0,0,1|3,0,0]=4 1585 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,0,0,0,0,1|3,0,0]=4 1586 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,0,0,0,0,1|3,0,0]=4 1587 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,0,0,0,0,1|1,0,0]=2 1588 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,0,0,0,0,1|3,0,0]=4 1589 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,0,0,0,0,1|2,0,1]=4 1590 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,0,0,0,0,1|2,0,1]=4 1591 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,0,0,0,0,1|1,0,1]=3 1592 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,0,0,0,0,1|0,0,0]=1 1593 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,0,0,0,0,1|0,0,0]=1 1594 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,0,0,0,0,1|0,0,0]=1 1595 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,0,0,0,0,1|2,0,0]=3 1596 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,0,0,0,0,1|2,0,0]=3 1597 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,0,0,0,0,1|2,0,0]=3 1598 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,0,0,0,0,1|2,0,0]=3 1599 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,0,0,0,0,1|0,0,0]=1 1600 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,0,0,0,0,1|1,0,1]=3 1601 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,0,0,0,0,1|1,0,1]=3 1602 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,0,0,0,0,1|1,0,1]=3 1603 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,0,0,0,0,1|1,0,1]=3 1604 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,0,0,0,0,1|1,0,1]=3 1605 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,0,0,0,0,1|1,0,0]=2 1606 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,0,0,0,0,1|1,0,0]=2 1607 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,0,0,0,0,1|1,0,1]=3 1608 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,0,0,0,0,1|1,0,1]=3 1609 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,0,0,0,0,1|0,0,2]=3 1610 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,0,0,0,0,1|0,0,2]=3 1611 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,0,0,0,0,1|2,0,1]=4 1612 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,0,0,0,0,1|0,0,0]=1 1613 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,0,0,0,0,1|1,0,1]=3 1614 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,0,0,0,0,1|1,0,1]=3 1615 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,0,0,0,0,1|1,0,1]=3 1616 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,0,0,0,0,1|2,0,1]=4 1617 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,0,0,0,0,1|1,0,1]=3 1618 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,0,0,0,0,1|1,0,1]=3 1619 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,0,0,0,0,1|0,0,0]=1 1620 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,0,0,0,0,1|1,0,0]=2 1621 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,0,0,0,0,1|1,0,0]=2 1622 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,0,0,0,0,1|0,0,0]=1 1623 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,0,0,0,0,1|1,0,0]=2 1624 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,0,0,0,0,1|1,0,0]=2 1625 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,0,0,0,0,1|1,0,1]=3 1626 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,0,0,0,0,1|1,0,1]=3 1627 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,0,0,0,0,1|0,0,2]=3 1628 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,0,0,0,0,1|0,0,2]=3 1629 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,0,0,0,0,1|2,0,1]=4 1630 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,0,0,0,0,1|2,0,1]=4 1631 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,0,0,0,0,1|0,0,2]=3 1632 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,0,0,0,0,1|0,0,2]=3 1633 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,0,0,0,0,1|2,0,0]=3 1634 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,0,0,0,0,1|2,0,1]=4 1635 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,0,0,0,0,1|2,0,1]=4 1636 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,0,0,0,0,1|2,0,1]=4 1637 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,0,0,0,0,1|2,0,1]=4 1638 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,0,0,0,0,1|2,0,1]=4 1639 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,0,0,0,0,1|2,0,1]=4 1640 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,0,0,0,0,1|1,0,1]=3 1641 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,0,0,0,0,1|1,0,1]=3 1642 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,0,0,0,0,1|2,0,1]=4 1643 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,0,0,0,0,1|2,0,1]=4 1644 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,0,0,0,0,1|2,0,1]=4 1645 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,0,0,0,0,1|2,0,1]=4 1646 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,0,0,0,0,1|2,0,1]=4 1647 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,0,0,0,0,1|3,0,0]=4 1648 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,0,0,0,0,1|3,0,0]=4 1649 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,0,0,0,0,1|3,0,0]=4 1650 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [0,0,0,0,0,1|3,0,0]=4 1651 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [0,0,0,0,0,1|3,0,0]=4 1652 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,0,0,0,0,1|3,0,0]=4 1653 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,0,0,0,0,1|3,0,0]=4 1654 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 1655 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,1]=4 1656 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|1,0,1]=4 1657 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|1,0,1]=4 1658 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [2,0,0,0,0,0|1,0,1]=4 1659 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 1660 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 1661 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 1662 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|1,0,1]=4 1663 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|1,0,1]=4 1664 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 1665 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 1666 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|2,0,0]=4 1667 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,1]=4 1668 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,1]=4 1669 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|2,0,0]=4 1670 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|2,0,0]=4 1671 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|2,0,0]=4 1672 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|2,0,0]=4 1673 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|2,0,0]=4 1674 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|2,0,0]=4 1675 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|2,0,0]=4 1676 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|2,0,0]=4 1677 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|2,0,0]=4 1678 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,0]=3 1679 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,0]=3 1680 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|2,0,0]=4 1681 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|2,0,0]=4 1682 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 1683 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1684 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1685 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 1686 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 1687 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 1688 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 1689 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 1690 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 1691 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 1692 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 1693 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 1694 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 1695 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1696 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1697 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1698 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1699 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 1700 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|1,0,1]=4 1701 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 1702 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 1703 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1704 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1705 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 1706 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 1707 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1708 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 1709 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 1710 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1711 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1712 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1713 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 1714 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 1715 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 1716 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 1717 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 1718 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1719 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 1720 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1721 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1722 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 1723 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1724 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 1725 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 1726 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 1727 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 1728 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 1729 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 1730 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 1731 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 1732 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,1]=3 1733 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [2,0,0,0,0,0|1,0,1]=4 1734 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [2,0,0,0,0,0|1,0,1]=4 1735 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 1736 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 1737 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 1738 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,0,0]=3 1739 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,0,0]=3 1740 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,0,0]=3 1741 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,1,0]=4 1742 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,1,0]=4 1743 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,1,0]=4 1744 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,1,0]=4 1745 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,1]=3 1746 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,1]=3 1747 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,1]=3 1748 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|1,0,1]=4 1749 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|1,0,1]=4 1750 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|1,0,1]=4 1751 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 1752 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|1,0,1]=4 1753 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 1754 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 1755 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 1756 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|0,0,1]=3 1757 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|0,0,0]=2 1758 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|0,0,0]=2 1759 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,1,0]=3 1760 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,1,0]=3 1761 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|1,0,1]=4 1762 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|1,0,1]=4 1763 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,1,0]=4 1764 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,1,0]=4 1765 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|1,0,1]=4 1766 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1767 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1768 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,1]=3 1769 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,1]=3 1770 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,1]=3 1771 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [2,0,0,0,0,0|2,0,0]=4 1772 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 1773 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 1774 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,1]=3 1775 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,1]=3 1776 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,1]=3 1777 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1778 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1779 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1780 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,1]=4 1781 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 1782 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 1783 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 1784 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 1785 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,1]=4 1786 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,1]=4 1787 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 1788 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 1789 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 1790 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 1791 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 1792 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 1793 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|0,0,1]=3 1794 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|0,0,1]=3 1795 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|1,0,1]=4 1796 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|1,0,1]=4 1797 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|0,0,0]=2 1798 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|0,0,0]=2 1799 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|0,0,0]=2 1800 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|0,0,0]=2 1801 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,0,0]=3 1802 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,0,0]=3 1803 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,0,0]=3 1804 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|0,0,0]=2 1805 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|1,0,1]=4 1806 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1807 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|1,0,1]=4 1808 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1809 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|0,0,2]=4 1810 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 1811 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [2,0,0,0,0,0|2,0,0]=4 1812 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 1813 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [2,0,0,0,0,0|2,0,0]=4 1814 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 1815 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 1816 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|1,0,1]=4 1817 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,0,0]=3 1818 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,1,0]=3 1819 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,1,0]=3 1820 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,1,0]=3 1821 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,1,0]=3 1822 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|1,1,0]=4 1823 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|1,1,0]=4 1824 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,1,0]=3 1825 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,1,0]=4 1826 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,1,0]=4 1827 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|1,0,1]=4 1828 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 1829 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 1830 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,0,0]=3 1831 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,0,0]=3 1832 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|1,1,0]=4 1833 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|1,1,0]=4 1834 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|0,0,2]=4 1835 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|0,0,2]=4 1836 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|0,0,2]=4 1837 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|0,0,2]=4 1838 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|0,0,2]=4 1839 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|0,0,2]=4 1840 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|0,0,2]=4 1841 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,0,2]=4 1842 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,0,2]=4 1843 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,0,2]=4 1844 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,0,2]=4 1845 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,0,2]=4 1846 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 1847 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 1848 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 1849 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,1]=4 1850 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,1]=4 1851 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,1]=4 1852 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 1853 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,1]=4 1854 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,1]=4 1855 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|1,0,1]=4 1856 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|1,0,1]=4 1857 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|1,0,1]=4 1858 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 1859 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|1,0,1]=4 1860 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|1,0,1]=4 1861 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 1862 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|1,0,1]=4 1863 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|1,0,1]=4 1864 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|1,0,1]=4 1865 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|1,0,1]=4 1866 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|0,1,1]=4 1867 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|0,1,1]=4 1868 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 1869 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 1870 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|0,1,1]=4 1871 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|0,1,1]=4 1872 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [1,1,0,0,0,0|0,0,2]=4 1873 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|1,0,1]=4 1874 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,1,0,0,0,0|1,0,1]=4 1875 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,1,0,0,0,0|0,0,1]=3 1876 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,1,0,0,0,0|0,1,1]=4 1877 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [1,1,0,0,0,0|1,0,1]=4 1878 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [1,1,0,0,0,0|1,0,1]=4 1879 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|1,0,1]=4 1880 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|1,0,1]=4 1881 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [1,1,0,0,0,0|1,0,1]=4 1882 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [1,1,0,0,0,0|1,0,1]=4 1883 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [1,1,0,0,0,0|1,0,1]=4 1884 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [1,1,0,0,0,0|0,0,1]=3 1885 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [1,1,0,0,0,0|0,1,1]=4 1886 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 1887 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 1888 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 1889 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [1,1,0,0,0,0|1,0,1]=4 1890 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [1,1,0,0,0,0|1,0,1]=4 1891 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [1,1,0,0,0,0|1,0,1]=4 1892 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [1,1,0,0,0,0|1,0,1]=4 1893 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [1,1,0,0,0,0|1,0,1]=4 1894 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [1,1,0,0,0,0|1,0,1]=4 1895 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [1,1,0,0,0,0|1,0,1]=4 1896 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,1,0,0,0,0|1,0,1]=4 1897 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,1,0,0,0,0|2,0,0]=4 1898 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,1,0,0,0,0|2,0,0]=4 1899 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [1,1,0,0,0,0|0,0,2]=4 1900 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [1,1,0,0,0,0|1,0,1]=4 1901 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|1,0,1]=4 1902 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|2,0,0]=4 1903 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|2,0,0]=4 1904 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [1,1,0,0,0,0|1,0,1]=4 1905 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|1,0,1]=4 1906 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|1,0,1]=4 1907 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [1,1,0,0,0,0|1,0,1]=4 1908 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,1,0,0,0,0|1,0,1]=4 1909 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,1,0,0,0,0|1,0,1]=4 1910 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,1,0,0,0,0|0,0,1]=3 1911 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,1,0,0,0,0|0,1,1]=4 1912 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 1913 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 1914 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 1915 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [1,1,0,0,0,0|1,0,1]=4 1916 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [1,1,0,0,0,0|2,0,0]=4 1917 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|2,0,0]=4 1918 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|2,0,0]=4 1919 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|2,0,0]=4 1920 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|2,0,0]=4 1921 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|1,0,1]=4 1922 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|1,0,1]=4 1923 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|1,0,1]=4 1924 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|1,0,1]=4 1925 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|1,0,1]=4 1926 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|0,0,1]=3 1927 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|0,1,1]=4 1928 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 1929 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 1930 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 1931 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,1,0,0,0,0|1,0,1]=4 1932 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1933 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1934 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1935 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|1,0,1]=4 1936 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 1937 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,1]=4 1938 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,1,0,0,0,0|2,0,0]=4 1939 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,1,0,0,0,0|2,0,0]=4 1940 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,1,0,0,0,0|2,0,0]=4 1941 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,1,0,0,0,0|2,0,0]=4 1942 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|2,0,0]=4 1943 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|2,0,0]=4 1944 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|2,0,0]=4 1945 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|2,0,0]=4 1946 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|2,0,0]=4 1947 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|2,0,0]=4 1948 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|2,0,0]=4 1949 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|2,0,0]=4 1950 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|2,0,0]=4 1951 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|2,0,0]=4 1952 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,1,0,0,0,0|1,0,1]=4 1953 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,1,0,0,0,0|1,0,0]=3 1954 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,1,0,0,0,0|1,0,0]=3 1955 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,1,0,0,0,0|1,0,0]=3 1956 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|1,0,0]=3 1957 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|1,0,0]=3 1958 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|1,0,0]=3 1959 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|1,0,0]=3 1960 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|1,0,0]=3 1961 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,1,0,0,0,0|1,0,1]=4 1962 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,1,0,0,0,0|1,0,1]=4 1963 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,1,0,0,0,0|2,0,0]=4 1964 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,1,0,0,0,0|2,0,0]=4 1965 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,1,0,0,0,0|1,0,1]=4 1966 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,1,0,0,0,0|2,0,0]=4 1967 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,1,0,0,0,0|2,0,0]=4 1968 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [1,1,0,0,0,0|1,0,1]=4 1969 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|1,0,1]=4 1970 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|0,0,2]=4 1971 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|1,0,0]=3 1972 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,1,0,0,0,0|2,0,0]=4 1973 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|2,0,0]=4 1974 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|2,0,0]=4 1975 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|1,0,0]=3 1976 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|1,1,0]=4 1977 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,1,0,0,0,0|2,0,0]=4 1978 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|2,0,0]=4 1979 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|2,0,0]=4 1980 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|1,1,0]=4 1981 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|1,0,1]=4 1982 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|1,0,1]=4 1983 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|1,0,1]=4 1984 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|1,0,1]=4 1985 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|1,0,1]=4 1986 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|1,0,1]=4 1987 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [1,1,0,0,0,0|1,0,1]=4 1988 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [1,1,0,0,0,0|1,0,1]=4 1989 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [1,1,0,0,0,0|1,0,1]=4 1990 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [1,1,0,0,0,0|1,0,1]=4 1991 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [1,1,0,0,0,0|1,0,1]=4 1992 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|2,0,0]=4 1993 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|2,0,0]=4 1994 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|2,0,0]=4 1995 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|1,0,1]=4 1996 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|1,0,1]=4 1997 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,1]=4 1998 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 1999 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 2000 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 2001 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|1,0,1]=4 2002 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,1]=4 2003 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|1,0,1]=4 2004 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|1,0,1]=4 2005 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|1,0,1]=4 2006 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|1,0,1]=4 2007 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|1,0,1]=4 2008 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2009 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2010 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|2,0,0]=4 2011 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 2012 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 2013 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 2014 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|2,0,0]=4 2015 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 2016 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 2017 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 2018 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,1]=4 2019 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2020 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2021 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|1,0,0]=3 2022 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|1,0,1]=4 2023 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|1,0,1]=4 2024 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|1,0,1]=4 2025 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|1,0,1]=4 2026 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|1,0,0]=3 2027 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|1,0,0]=3 2028 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|1,0,0]=3 2029 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|1,0,0]=3 2030 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|1,0,0]=3 2031 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|1,0,0]=3 2032 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|1,0,0]=3 2033 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|1,0,0]=3 2034 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|1,0,1]=4 2035 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|1,0,0]=3 2036 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|1,0,0]=3 2037 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|1,0,0]=3 2038 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|1,0,0]=3 2039 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|1,0,0]=3 2040 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [1,1,0,0,0,0|0,0,2]=4 2041 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [1,1,0,0,0,0|0,0,2]=4 2042 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [1,1,0,0,0,0|0,0,2]=4 2043 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|1,0,1]=4 2044 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|1,0,1]=4 2045 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,1,0,0,0,0|1,0,1]=4 2046 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 2047 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 2048 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 2049 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 2050 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 2051 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 2052 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 2053 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [1,1,0,0,0,0|1,0,1]=4 2054 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [1,1,0,0,0,0|1,0,1]=4 2055 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [1,1,0,0,0,0|1,0,1]=4 2056 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [1,1,0,0,0,0|1,0,1]=4 2057 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [1,1,0,0,0,0|1,0,1]=4 2058 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [1,1,0,0,0,0|1,0,1]=4 2059 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [1,1,0,0,0,0|1,0,1]=4 2060 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [1,1,0,0,0,0|1,0,1]=4 2061 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [1,1,0,0,0,0|0,0,1]=3 2062 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,1,0,0,0,0|1,0,1]=4 2063 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [1,1,0,0,0,0|1,0,1]=4 2064 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [1,1,0,0,0,0|1,0,1]=4 2065 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [1,1,0,0,0,0|0,0,1]=3 2066 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [1,1,0,0,0,0|1,0,1]=4 2067 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [1,1,0,0,0,0|1,0,1]=4 2068 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [1,1,0,0,0,0|1,0,1]=4 2069 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [1,1,0,0,0,0|1,0,1]=4 2070 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [1,1,0,0,0,0|1,0,1]=4 2071 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [1,1,0,0,0,0|1,0,1]=4 2072 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [1,1,0,0,0,0|1,0,1]=4 2073 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [1,1,0,0,0,0|1,0,1]=4 2074 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [1,1,0,0,0,0|1,0,1]=4 2075 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [1,1,0,0,0,0|0,0,1]=3 2076 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [1,1,0,0,0,0|0,0,1]=3 2077 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,1,0,0,0,0|1,0,1]=4 2078 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|1,0,1]=4 2079 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,1,0,0,0,0|1,0,1]=4 2080 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 2081 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 2082 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 2083 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|1,0,1]=4 2084 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|1,0,1]=4 2085 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|1,0,1]=4 2086 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|1,0,1]=4 2087 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,1]=4 2088 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,1]=4 2089 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 2090 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,0]=3 2091 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,1,0,0,0,0|2,0,0]=4 2092 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,0]=3 2093 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,0]=3 2094 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,1,0,0,0,0|2,0,0]=4 2095 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,1,0,0,0,0|2,0,0]=4 2096 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,1,0,0,0,0|2,0,0]=4 2097 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,1,0,0,0,0|2,0,0]=4 2098 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,1,0,0,0,0|2,0,0]=4 2099 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,1,0,0,0,0|2,0,0]=4 2100 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,1,0,0,0,0|2,0,0]=4 2101 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,1,0,0,0,0|2,0,0]=4 2102 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,1,0,0,0,0|2,0,0]=4 2103 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,1,0,0,0,0|2,0,0]=4 2104 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,1,0,0,0,0|2,0,0]=4 2105 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,1,0,0,0,0|2,0,0]=4 2106 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2108 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2109 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2110 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2111 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|2,0,0]=4 2112 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|2,0,0]=4 2113 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|1,0,1]=4 2114 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|1,0,1]=4 2115 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 2116 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 2117 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 2118 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 2119 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2120 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2121 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2122 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 2123 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|1,0,1]=4 2124 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|1,0,1]=4 2125 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|1,0,1]=4 2126 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|1,0,1]=4 2127 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|1,0,1]=4 2128 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|1,0,1]=4 2129 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|1,0,1]=4 2130 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|1,0,1]=4 2131 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|1,0,1]=4 2132 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|1,0,1]=4 2133 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 2134 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 2135 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|1,0,1]=4 2136 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|1,0,1]=4 2137 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 2138 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|0,0,1]=3 2139 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|1,0,1]=4 2140 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|1,0,1]=4 2141 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|1,0,1]=4 2142 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|1,0,1]=4 2143 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|1,0,1]=4 2144 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|1,0,1]=4 2145 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|1,0,1]=4 2146 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|1,0,1]=4 2147 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|1,0,1]=4 2148 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|0,0,1]=3 2149 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|0,0,1]=3 2150 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2151 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|1,0,1]=4 2152 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2153 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|0,0,1]=3 2154 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|1,0,1]=4 2155 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|1,0,1]=4 2156 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|1,0,1]=4 2157 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|1,0,1]=4 2158 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|1,0,1]=4 2159 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|1,0,1]=4 2160 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|1,0,1]=4 2161 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|1,0,1]=4 2162 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|0,0,1]=3 2163 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|1,0,1]=4 2164 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|1,0,1]=4 2165 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|1,0,1]=4 2166 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|1,0,1]=4 2167 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|1,0,1]=4 2168 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|1,0,1]=4 2169 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|1,0,1]=4 2170 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|1,0,1]=4 2171 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|0,0,1]=3 2172 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|0,0,1]=3 2173 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,1,0,0,0,0|1,0,1]=4 2174 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|1,0,1]=4 2175 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|1,0,1]=4 2176 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|1,0,1]=4 2177 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|1,0,1]=4 2178 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 2179 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 2180 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|1,0,1]=4 2181 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 2182 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|1,0,1]=4 2183 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|1,0,1]=4 2184 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|1,0,1]=4 2185 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|1,0,1]=4 2186 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|1,0,1]=4 2187 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|1,0,1]=4 2188 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|1,0,1]=4 2190 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [1,1,0,0,0,0|2,0,0]=4 2191 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [1,1,0,0,0,0|2,0,0]=4 2192 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [1,1,0,0,0,0|2,0,0]=4 2193 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [1,1,0,0,0,0|2,0,0]=4 2194 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [1,1,0,0,0,0|1,0,0]=3 2195 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [1,1,0,0,0,0|2,0,0]=4 2196 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [1,1,0,0,0,0|2,0,0]=4 2197 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [1,1,0,0,0,0|1,0,0]=3 2198 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [1,1,0,0,0,0|2,0,0]=4 2199 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [1,1,0,0,0,0|1,0,0]=3 2200 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [1,1,0,0,0,0|1,0,0]=3 2201 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [1,1,0,0,0,0|2,0,0]=4 2202 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [1,1,0,0,0,0|2,0,0]=4 2203 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [1,1,0,0,0,0|2,0,0]=4 2204 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [1,1,0,0,0,0|2,0,0]=4 2205 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,1,0,0,0,0|2,0,0]=4 2206 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 2207 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,1,0,0,0,0|2,0,0]=4 2208 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 2209 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,1,0,0,0,0|2,0,0]=4 2210 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 2211 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 2212 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 2213 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 2214 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,1,0,0,0,0|2,0,0]=4 2215 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|2,0,0]=4 2216 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,1,0,0,0,0|2,0,0]=4 2217 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,1,0,0,0,0|2,0,0]=4 2218 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,1,0,0,0,0|2,0,0]=4 2219 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,1,0,0,0,0|2,0,0]=4 2220 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 2221 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,1,0,0,0,0|1,0,1]=4 2222 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 2223 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|1,0,1]=4 2224 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|1,0,1]=4 2225 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|1,0,1]=4 2226 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|1,0,1]=4 2227 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|1,0,1]=4 2228 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|0,0,1]=3 2229 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|0,0,1]=3 2230 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|0,0,1]=3 2231 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,1,0,0,0,0|2,0,0]=4 2232 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,1,0,0,0,0|2,0,0]=4 2233 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,1,0,0,0,0|2,0,0]=4 2234 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2235 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,1,0,0,0,0|1,0,1]=4 2236 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,1,0,0,0,0|1,0,1]=4 2237 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,1,0,0,0,0|1,0,1]=4 2238 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|0,0,1]=3 2239 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|0,0,1]=3 2240 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|0,0,1]=3 2241 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|0,0,1]=3 2242 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,1,0,0,0,0|1,0,0]=3 2243 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,1,0,0,0,0|1,0,0]=3 2244 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,1,0,0,0,0|1,0,1]=4 2245 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,1,0,0,0,0|0,0,2]=4 2246 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,1,0,0,0,0|0,0,2]=4 2247 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,1,0,0,0,0|1,0,1]=4 2248 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,1,0,0,0,0|1,0,1]=4 2249 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [1,1,0,0,0,0|1,0,1]=4 2250 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [1,1,0,0,0,0|1,0,1]=4 2251 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,1,0,0,0,0|0,0,0]=2 2252 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,1,0,0,0,0|0,0,0]=2 2253 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,1,0,0,0,0|1,0,1]=4 2254 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,1,0,0,0,0|1,0,1]=4 2255 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,1,0,0,0,0|0,0,2]=4 2256 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,1,0,0,0,0|0,0,2]=4 2257 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,1,0,0,0,0|1,0,0]=3 2258 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,1,0,0,0,0|1,0,0]=3 2259 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|1,0,0]=3 2260 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|1,0,0]=3 2261 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [1,1,0,0,0,0|2,0,0]=4 2262 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|1,0,1]=4 2263 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,1,0,0,0,0|1,0,1]=4 2264 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|0,0,1]=3 2265 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|1,0,0]=3 2266 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|1,0,0]=3 2267 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,1,0,0,0,0|1,0,0]=3 2268 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,1,0,0,0,0|1,0,0]=3 2269 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|1,0,1]=4 2270 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|1,0,1]=4 2271 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [1,1,0,0,0,0|1,0,1]=4 2272 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [1,1,0,0,0,0|1,0,1]=4 2273 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [1,1,0,0,0,0|1,0,1]=4 2274 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [1,1,0,0,0,0|1,0,1]=4 2275 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [1,1,0,0,0,0|1,0,1]=4 2276 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,1]=4 2277 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|2,0,0]=4 2278 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|2,0,0]=4 2279 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [1,1,0,0,0,0|1,0,1]=4 2280 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,1,0,0,0,0|1,0,1]=4 2281 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,1,0,0,0,0|1,0,1]=4 2282 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [1,1,0,0,0,0|1,0,1]=4 2283 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [1,1,0,0,0,0|1,0,1]=4 2284 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [1,1,0,0,0,0|1,0,1]=4 2285 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [1,1,0,0,0,0|1,0,1]=4 2286 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [1,1,0,0,0,0|1,0,1]=4 2287 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [1,1,0,0,0,0|1,0,1]=4 2288 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [1,1,0,0,0,0|1,0,1]=4 2289 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|1,0,1]=4 2290 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|1,0,1]=4 2291 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [1,1,0,0,0,0|1,0,1]=4 2292 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 2293 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 2294 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 2295 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 2296 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [1,1,0,0,0,0|1,0,1]=4 2297 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [1,1,0,0,0,0|1,0,1]=4 2298 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,1]=4 2299 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,1]=4 2300 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,1]=4 2301 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2302 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2303 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2304 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 2305 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,1]=4 2306 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,1]=4 2307 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,1,0,0,0,0|2,0,0]=4 2308 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,1,0,0,0,0|2,0,0]=4 2309 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,1,0,0,0,0|2,0,0]=4 2310 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,1,0,0,0,0|2,0,0]=4 2311 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,1,0,0,0,0|2,0,0]=4 2312 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 2313 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 2314 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|2,0,0]=4 2315 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|2,0,0]=4 2316 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|2,0,0]=4 2317 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2318 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2319 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2320 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,1,0,0,0,0|2,0,0]=4 2321 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2322 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|2,0,0]=4 2323 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|2,0,0]=4 2324 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|2,0,0]=4 2325 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|2,0,0]=4 2326 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|2,0,0]=4 2327 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2328 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2329 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2330 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2331 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,1,0,0,0,0|2,0,0]=4 2332 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,1,0,0,0,0|2,0,0]=4 2333 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|2,0,0]=4 2334 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|2,0,0]=4 2335 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [1,1,0,0,0,0|0,0,2]=4 2336 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|1,0,1]=4 2337 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [1,1,0,0,0,0|1,0,1]=4 2338 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 2339 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 2340 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [1,1,0,0,0,0|1,0,1]=4 2341 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,2]=4 2342 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,2]=4 2343 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,1]=4 2344 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,1]=4 2346 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,1]=4 2347 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,1]=4 2348 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,1]=4 2349 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 2350 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 2351 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 2352 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 2353 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 2354 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|1,0,1]=4 2355 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|1,0,1]=4 2356 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|1,0,1]=4 2357 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,1]=4 2358 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 2359 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,0]=3 2360 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 2361 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|1,0,0]=3 2362 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|1,0,0]=3 2363 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|1,0,0]=3 2364 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|1,0,0]=3 2365 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|1,0,0]=3 2366 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,1]=4 2367 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2370 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2371 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|1,0,1]=4 2372 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|1,0,1]=4 2373 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|1,0,1]=4 2374 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|1,0,1]=4 2375 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|2,0,0]=4 2376 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,1,0,0,0,0|1,0,0]=3 2377 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [1,1,0,0,0,0|2,0,0]=4 2378 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [1,1,0,0,0,0|2,0,0]=4 2379 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [1,1,0,0,0,0|2,0,0]=4 2380 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [1,1,0,0,0,0|2,0,0]=4 2381 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [1,1,0,0,0,0|2,0,0]=4 2382 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [1,1,0,0,0,0|2,0,0]=4 2383 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [1,1,0,0,0,0|1,0,1]=4 2385 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [1,1,0,0,0,0|1,0,1]=4 2386 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [1,1,0,0,0,0|2,0,0]=4 2387 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [1,1,0,0,0,0|2,0,0]=4 2388 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [1,1,0,0,0,0|2,0,0]=4 2389 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [1,1,0,0,0,0|1,0,1]=4 2390 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [1,1,0,0,0,0|1,0,1]=4 2391 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [1,1,0,0,0,0|2,0,0]=4 2392 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [1,1,0,0,0,0|2,0,0]=4 2393 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [1,1,0,0,0,0|2,0,0]=4 2394 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [1,1,0,0,0,0|2,0,0]=4 2395 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [1,1,0,0,0,0|1,0,1]=4 2396 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [1,1,0,0,0,0|1,0,1]=4 2397 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [1,1,0,0,0,0|1,0,1]=4 2398 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,1]=4 2399 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,1]=4 2400 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,1]=4 2401 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|0,1,1]=4 2402 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|0,1,1]=4 2403 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|0,0,1]=3 2404 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|0,0,1]=3 2405 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|0,1,1]=4 2406 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|0,1,1]=4 2407 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2408 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2409 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 2410 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 2411 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2412 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2413 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 2414 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 2415 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 2416 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 2417 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|1,0,1]=4 2418 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|0,0,1]=3 2419 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,1,0,0,0,0|1,0,1]=4 2420 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|0,1,1]=4 2421 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|0,1,1]=4 2422 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|0,1,1]=4 2423 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|0,1,1]=4 2424 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,0]=3 2425 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,1,0,0,0,0|2,0,0]=4 2426 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,1,0,0,0,0|1,0,0]=3 2427 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [1,1,0,0,0,0|2,0,0]=4 2428 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [1,1,0,0,0,0|2,0,0]=4 2429 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [1,1,0,0,0,0|2,0,0]=4 2430 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [1,1,0,0,0,0|2,0,0]=4 2431 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 2432 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 2433 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,1]=4 2434 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,1]=4 2436 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2437 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2438 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2439 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 2440 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 2441 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 2442 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 2443 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 2444 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 2445 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 2446 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,1]=4 2447 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 2448 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 2449 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,1]=4 2450 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,1]=4 2451 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 2452 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 2453 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|0,0,1]=3 2454 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|0,0,1]=3 2455 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|0,0,1]=3 2456 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|0,0,1]=3 2457 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,1]=4 2458 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|1,0,1]=4 2459 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|1,0,1]=4 2460 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|1,0,1]=4 2461 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|1,0,1]=4 2462 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|1,0,1]=4 2463 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|1,0,1]=4 2464 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|0,1,1]=4 2465 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|0,1,1]=4 2466 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2467 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2468 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2469 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 2470 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 2471 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 2472 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 2473 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 2474 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 2475 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 2476 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|1,0,1]=4 2478 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|1,0,1]=4 2479 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|1,0,1]=4 2480 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|1,0,1]=4 2481 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|1,0,1]=4 2482 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|0,0,1]=3 2483 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|0,0,1]=3 2484 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,1]=4 2485 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,1]=4 2486 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|0,0,1]=3 2487 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|0,0,1]=3 2488 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|0,0,1]=3 2489 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|0,0,1]=3 2490 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|0,0,1]=3 2491 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,1,0,0,0,0|0,1,1]=4 2492 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|0,0,1]=3 2493 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|1,0,1]=4 2494 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|1,0,1]=4 2495 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,1]=4 2496 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [1,1,0,0,0,0|1,0,1]=4 2497 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|0,0,1]=3 2498 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|0,0,1]=3 2499 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|1,0,1]=4 2500 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|1,0,1]=4 2501 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|0,0,1]=3 2502 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|1,0,1]=4 2503 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|1,0,1]=4 2504 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|1,0,1]=4 2505 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|1,0,1]=4 2506 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|1,0,1]=4 2507 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|0,0,1]=3 2508 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|0,0,1]=3 2509 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|1,0,1]=4 2510 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|1,0,1]=4 2511 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,1,0,0,0,0|1,0,1]=4 2512 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,1,0,0,0,0|1,0,1]=4 2513 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|0,1,1]=4 2514 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|0,1,1]=4 2515 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|0,1,1]=4 2516 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|0,1,1]=4 2517 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|0,1,1]=4 2518 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|0,1,1]=4 2519 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|0,1,1]=4 2520 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|0,1,1]=4 2521 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|0,1,1]=4 2522 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|0,1,1]=4 2523 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|0,1,1]=4 2524 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|0,1,1]=4 2525 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|0,1,1]=4 2526 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|0,1,1]=4 2527 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,1]=4 2528 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,1]=4 2530 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,1]=4 2531 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [1,1,0,0,0,0|1,0,1]=4 2532 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [1,1,0,0,0,0|1,0,1]=4 2533 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [1,1,0,0,0,0|1,0,1]=4 2534 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [1,1,0,0,0,0|1,0,1]=4 2535 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [1,1,0,0,0,0|1,0,1]=4 2536 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|1,0,1]=4 2537 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|1,0,0]=3 2538 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [1,1,0,0,0,0|2,0,0]=4 2539 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,1]=4 2540 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,1]=4 2541 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,1]=4 2543 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,1]=4 2544 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,1]=4 2545 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|2,0,0]=4 2546 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|2,0,0]=4 2547 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|2,0,0]=4 2548 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 2549 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 2550 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 2551 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|2,0,0]=4 2552 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 2553 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 2554 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 2555 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,1,0,0,0,0|2,0,0]=4 2556 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,1,0,0,0,0|2,0,0]=4 2558 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|2,0,0]=4 2559 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|2,0,0]=4 2560 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|1,0,1]=4 2561 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,1]=4 2562 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [1,1,0,0,0,0|2,0,0]=4 2563 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [1,1,0,0,0,0|2,0,0]=4 2564 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [1,1,0,0,0,0|2,0,0]=4 2565 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,1,0,0,0,0|1,0,1]=4 2566 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2567 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|0,0,1]=3 2568 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [1,1,0,0,0,0|2,0,0]=4 2569 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [1,1,0,0,0,0|1,0,0]=3 2570 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [1,1,0,0,0,0|2,0,0]=4 2573 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [1,1,0,0,0,0|1,0,0]=3 2574 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [1,1,0,0,0,0|1,0,0]=3 2575 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [1,1,0,0,0,0|2,0,0]=4 2576 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [1,1,0,0,0,0|2,0,0]=4 2577 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [1,1,0,0,0,0|2,0,0]=4 2578 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [1,1,0,0,0,0|1,0,0]=3 2579 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [1,1,0,0,0,0|1,0,0]=3 2580 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [1,1,0,0,0,0|1,0,0]=3 2581 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [1,1,0,0,0,0|1,0,0]=3 2582 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,1,0,0,0,0|1,0,1]=4 2583 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,1,0,0,0,0|1,0,1]=4 2584 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [1,1,0,0,0,0|2,0,0]=4 2585 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2586 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [1,1,0,0,0,0|1,0,1]=4 2588 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [1,1,0,0,0,0|1,0,1]=4 2589 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [1,1,0,0,0,0|1,0,1]=4 2590 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [1,1,0,0,0,0|1,0,0]=3 2591 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [1,1,0,0,0,0|1,0,0]=3 2592 B8R0.29 CC(=O)CCS(=O)(=O)N 1458a_100000737202_200000210301 [1,1,0,0,0,0|1,0,1]=4 2593 B8R0.29 CC(=O)CCS(=O)(=O)[O-] 1458a_100000070787_100000762736 [1,1,0,0,0,0|1,0,1]=4 2594 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [1,1,0,0,0,0|2,0,0]=4 2595 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [1,1,0,0,0,0|1,1,0]=4 2596 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [1,1,0,0,0,0|1,1,0]=4 2597 B8R0.29 CC(=O)CNS(=O)(=O)C 1458a_100000737300_200000210301 [1,1,0,0,0,0|2,0,0]=4 2598 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [1,1,0,0,0,0|1,0,0]=3 2601 B8R0.29 CS(=O)(=O)NCC(=O)[13CH3] 1458a_100000737300_200025704644 [1,1,0,0,0,0|2,0,0]=4 2602 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [1,1,0,0,0,0|1,1,0]=4 2603 B8R0.29 [13CH3]C(=O)CCS(=O)(=O)N 1458a_100000737202_200025704644 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.2 C#CC(=O)C(C)C(=O)C 1458a_100000211873_100000179758 [0,1,0,0,1,0|1,0,1]=4 2605 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,1,0,0,1,0|1,0,1]=4 2606 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,1,0|2,0,0]=4 2607 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,1,0|1,0,0]=3 2608 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,1,0|1,0,0]=3 2609 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,1,0|2,0,0]=4 2610 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,1,0|2,0,0]=4 2611 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,1,0|2,0,0]=4 2612 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,1,0,0,1,0|1,0,0]=3 2613 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,1,0,0,1,0|1,0,0]=3 2614 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,1,0|0,0,0]=2 2615 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,1,0|0,0,0]=2 2616 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,1,0|0,0,0]=2 2617 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,0,0,1,0|2,0,0]=4 2618 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,0,0,1,0|2,0,0]=4 2619 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,0,0,1,0|2,0,0]=4 2620 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,0,0,1,0|2,0,0]=4 2621 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,0,0,1,0|2,0,0]=4 2622 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,0,0,1,0|2,0,0]=4 2623 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,0,0,1,0|0,0,2]=4 2624 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,0,0,1,0|0,0,2]=4 2625 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,0,0,1,0|0,0,2]=4 2626 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [0,1,0,0,1,0|2,0,0]=4 2627 B8R0.24 CNC(=O)CS(=O)(=O)C 11a_106832991635_100000744497 [0,1,0,0,1,0|2,0,0]=4 2628 B8R0.24 CNC(=O)CS(=O)(=O)C 240690a_100102657272_100000744497 [0,1,0,0,1,0|2,0,0]=4 2629 B8R0.24 CNC(=O)CS(=O)(=O)C 527a_100102657272_100000744497 [0,1,0,0,1,0|2,0,0]=4 2630 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,1,0|1,0,1]=4 2631 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,1,0,0,1,0|2,0,0]=4 2632 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,1,0,0,1,0|2,0,0]=4 2633 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,1,0|1,0,1]=4 2634 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,1,0,0,0,1|1,0,1]=4 2635 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100000183196_100000184674 [0,1,0,0,0,1|1,0,1]=4 2636 B10R0.3 C#CCC(=O)CCNC(=O)C 1458a_100011220946_100000189650 [0,1,0,0,0,1|1,0,1]=4 2637 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,1,0,0,0,1|1,0,1]=4 2638 B10R0.3 C#CCC(=O)CCSC(=O)C 1458a_100000048949_100000184674 [0,1,0,0,0,1|1,0,1]=4 2639 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,1,0,0,0,1|2,0,0]=4 2640 B10R0.3 C=C(C)CNNC(=O)COC 22a_100000729518_100000210968 [0,1,0,0,0,1|2,0,0]=4 2641 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,1,0,0,0,1|2,0,0]=4 2642 B10R0.3 C=C(C)COCC(=O)NCO 34a_100000210245_100000185155 [0,1,0,0,0,1|2,0,0]=4 2643 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,1,0,0,0,1|1,0,0]=3 2644 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,1,0,0,0,1|2,0,0]=4 2645 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,1,0,0,0,1|2,0,0]=4 2646 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,1,0,0,0,1|2,0,0]=4 2647 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,1,0,0,0,1|2,0,0]=4 2648 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000185155_100000211660 [0,1,0,0,0,1|2,0,0]=4 2649 B10R0.3 C=C(C)CSCC(=O)NCO 62a_100000748629_100000185155 [0,1,0,0,0,1|2,0,0]=4 2650 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,1,0,0,0,1|1,0,0]=3 2651 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,1,0,0,0,1|1,0,0]=3 2652 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,1,0,0,0,1|1,0,1]=4 2653 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,1,0,0,0,1|1,0,1]=4 2654 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,1,0,0,0,1|1,0,1]=4 2655 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,1,0,0,0,1|1,0,1]=4 2656 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,1,0,0,0,1|1,0,1]=4 2657 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,1,0,0,0,1|1,0,1]=4 2658 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,1,0,0,0,1|1,0,1]=4 2659 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,1,0,0,0,1|1,0,1]=4 2660 B10R0.3 C=COC(=O)CNCC(=O)N 2230a_100000711301_100000036128 [0,1,0,0,0,1|1,0,1]=4 2661 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,1,0,0,0,1|1,0,1]=4 2662 B10R0.3 C=COC(=O)COCC(=C)C 34a_100000210245_100000036128 [0,1,0,0,0,1|1,0,1]=4 2663 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,1,0,0,0,1|0,0,1]=3 2664 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000036128_100000211660 [0,1,0,0,0,1|1,0,1]=4 2665 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000748629_100000036128 [0,1,0,0,0,1|1,0,1]=4 2666 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000036128_100000747473 [0,1,0,0,0,1|1,0,1]=4 2667 B10R0.3 C=COC(=O)CSCC(=O)N 62a_100000747473_100000036128 [0,1,0,0,0,1|1,0,1]=4 2668 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100000036128_100020667443 [0,1,0,0,0,1|1,0,1]=4 2669 B10R0.3 C=COC(=O)CSCC(=O)[O-] 62a_100020667443_100000036128 [0,1,0,0,0,1|1,0,1]=4 2670 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,1,0,0,0,1|2,0,0]=4 2671 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,1,0,0,0,1|1,0,0]=3 2672 B10R0.3 CC#CC(=O)CCCC(=O)N 1458a_100000763181_100102525003 [0,1,0,0,0,1|2,0,0]=4 2673 B10R0.3 CC#CC(=O)CCNC(=O)C 1458a_100000763181_100000189650 [0,1,0,0,0,1|1,0,0]=3 2674 B10R0.3 CC#CC(=O)CCNC(=O)N 1458a_100000763181_200000034859 [0,1,0,0,0,1|2,0,0]=4 2675 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,1,0,0,0,1|1,0,0]=3 2676 B10R0.3 CC#CC(=O)CCOC(=O)N 1458a_100000763181_200011214921 [0,1,0,0,0,1|2,0,0]=4 2677 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,1,0,0,0,1|2,0,0]=4 2678 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,0,0,0,1|1,0,1]=4 2679 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,0,0,0,1|1,0,1]=4 2680 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,0,0,0,1|1,0,1]=4 2681 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,1,0,0,0,1|1,0,1]=4 2682 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,1|1,0,0]=3 2683 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [0,1,0,0,0,1|1,0,0]=3 2684 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,1,0,0,0,1|1,0,1]=4 2685 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,1,0,0,0,1|1,0,1]=4 2686 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,1,0,0,0,1|1,0,1]=4 2687 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100000183196_100011214920 [0,1,0,0,0,1|1,0,1]=4 2688 B10R0.3 CC(=O)NCCC(=O)CC#N 1458a_100051588842_100000189650 [0,1,0,0,0,1|1,0,1]=4 2689 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,1,0,0,0,1|1,0,0]=3 2690 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,1,0,0,0,1|1,0,0]=3 2691 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,1,0,0,0,1|1,0,0]=3 2692 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,1,0,0,0,1|1,0,1]=4 2693 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,1,0,0,0,1|1,0,1]=4 2694 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,1,0,0,0,1|1,0,1]=4 2695 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,1,0,0,0,1|1,0,1]=4 2696 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,1,0,0,0,1|1,0,0]=3 2697 B10R0.3 CC(=O)SCCC(=O)CC#N 1458a_100000048949_100011214920 [0,1,0,0,0,1|1,0,1]=4 2698 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,1,0,0,0,1|1,0,0]=3 2699 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,1,0,0,0,1|1,0,0]=3 2700 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,1,0,0,0,1|2,0,0]=4 2701 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,1|1,0,0]=3 2702 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,1,0,0,0,1|2,0,0]=4 2703 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,1,0,0,0,1|1,0,0]=3 2704 B10R0.3 CC=CC(=O)CCNC(=O)N 1458a_100000210699_200000034859 [0,1,0,0,0,1|2,0,0]=4 2705 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,0,0,0,1|1,0,0]=3 2706 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,1,0,0,0,1|2,0,0]=4 2707 B10R0.3 CC=CC(=O)NCCC(=O)N 11a_100000740010_100000210699 [0,1,0,0,0,1|2,0,0]=4 2708 B10R0.3 CC=CC(=O)NCCC(=O)N 240690a_100000740010_100000210699 [0,1,0,0,0,1|2,0,0]=4 2709 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,1|2,0,0]=4 2710 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,1|1,0,0]=3 2711 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,1|2,0,0]=4 2712 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,1|1,0,0]=3 2713 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,1|1,0,0]=3 2714 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,1,0,0,0,1|2,0,0]=4 2715 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,1,0,0,0,1|2,0,0]=4 2716 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,1|1,0,0]=3 2717 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,0,0,0,1|2,0,0]=4 2718 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,1|1,0,0]=3 2719 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,1,0,0,0,1|2,0,0]=4 2720 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,0,0,0,1|2,0,0]=4 2721 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,1,0,0,0,1|2,0,0]=4 2722 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,1,0,0,0,1|2,0,0]=4 2723 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,1,0,0,0,1|2,0,0]=4 2724 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,1,0,0,0,1|2,0,0]=4 2725 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,1,0,0,0,1|2,0,0]=4 2726 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,1,0,0,0,1|2,0,0]=4 2727 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,1,0,0,0,1|2,0,0]=4 2728 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,1,0,0,0,1|2,0,0]=4 2729 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,1|1,0,0]=3 2730 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,1|1,0,0]=3 2731 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,1,0,0,0,1|1,0,0]=3 2732 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,1,0,0,0,1|1,0,0]=3 2733 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,1,0,0,0,1|1,0,0]=3 2734 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,1,0,0,0,1|1,0,0]=3 2735 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,1,0,0,0,1|1,0,0]=3 2736 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,1,0,0,0,1|1,0,0]=3 2737 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,1,0,0,0,1|1,0,0]=3 2738 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,1,0,0,0,1|2,0,0]=4 2739 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,1,0,0,0,1|2,0,0]=4 2740 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,1,0,0,0,1|1,0,0]=3 2741 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,1,0,0,0,1|2,0,0]=4 2742 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,1,0,0,0,1|2,0,0]=4 2743 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,1,0,0,0,1|2,0,0]=4 2744 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,1,0,0,0,1|1,0,0]=3 2745 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,1,0,0,0,1|2,0,0]=4 2746 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,1,0,0,0,1|2,0,0]=4 2747 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,1,0,0,0,1|2,0,0]=4 2748 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,1,0,0,0,1|2,0,0]=4 2749 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,1,0,0,0,1|2,0,0]=4 2750 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,1,0,0,0,1|2,0,0]=4 2751 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,1,0,0,0,1|2,0,0]=4 2752 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,1,0,0,0,1|2,0,0]=4 2753 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,1,0,0,0,1|2,0,0]=4 2754 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,1,0,0,0,1|2,0,0]=4 2755 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,1,0,0,0,1|2,0,0]=4 2756 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,1,0,0,0,1|2,0,0]=4 2757 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,1,0,0,0,1|2,0,0]=4 2758 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,1,0,0,0,1|1,1,0]=4 2759 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,1,0,0,0,1|1,1,0]=4 2760 B10R0.3 CCOC(=O)C=NNC(=O)C 4a_100000189765_100000742314 [0,1,0,0,0,1|1,0,1]=4 2761 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,1|0,0,0]=2 2762 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,1|0,0,0]=2 2763 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,1|0,0,0]=2 2764 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,1,0,0,0,1|2,0,0]=4 2765 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,1,0,0,0,1|2,0,0]=4 2766 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,1|0,0,0]=2 2767 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,1,0,0,0,1|1,0,1]=4 2768 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,1,0,0,0,1|1,0,1]=4 2769 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,1,0,0,0,1|1,0,1]=4 2770 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,1,0,0,0,1|1,0,1]=4 2771 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,1,0,0,0,1|1,0,1]=4 2772 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,1,0,0,0,1|1,0,0]=3 2773 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,1|1,0,0]=3 2774 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,1,0,0,0,1|1,0,1]=4 2775 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,1,0,0,0,1|1,0,1]=4 2776 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,1,0,0,0,1|0,0,2]=4 2777 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,1,0,0,0,1|0,0,2]=4 2778 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,1,0,0,0,1|0,0,0]=2 2779 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,1,0,0,0,1|1,0,1]=4 2780 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,1,0,0,0,1|1,0,1]=4 2781 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,1,0,0,0,1|1,0,1]=4 2782 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,1,0,0,0,1|1,0,1]=4 2783 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,1,0,0,0,1|1,0,1]=4 2784 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,1,0,0,0,1|1,0,0]=3 2785 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,1,0,0,0,1|1,0,0]=3 2786 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,1,0,0,0,1|1,0,0]=3 2787 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,1,0,0,0,1|1,0,0]=3 2788 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,1,0,0,0,1|1,0,1]=4 2789 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,1,0,0,0,1|1,0,1]=4 2790 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,1,0,0,0,1|0,0,2]=4 2791 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,1,0,0,0,1|0,0,2]=4 2792 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,1,0,0,0,1|0,0,2]=4 2793 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,1,0,0,0,1|0,0,2]=4 2794 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,1,0,0,0,1|2,0,0]=4 2795 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,1|0,0,0]=2 2796 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,1,0,0,0,1|2,0,0]=4 2797 B10R0.3 CNCC(=O)NCCC(=O)N 2230a_200138414118_200000210301 [0,1,0,0,0,1|2,0,0]=4 2798 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,1,0,0,0,1|1,0,0]=3 2799 B10R0.3 CNNC(=O)CCNC(=O)N 22a_100016993582_100000181464 [0,1,0,0,0,1|2,0,0]=4 2800 B10R0.3 CNNC(=O)COCC(=O)N 22a_100016993582_100011219004 [0,1,0,0,0,1|2,0,0]=4 2801 B10R0.3 CNNC(=O)CSCC(=O)N 22a_100016993582_100000150265 [0,1,0,0,0,1|2,0,0]=4 2802 B10R0.3 CNNC(=O)NCCC(=O)N 273464a_100000740010_100016993582 [0,1,0,0,0,1|2,0,0]=4 2803 B10R0.3 CNNC(=O)NCCC(=O)N 512a_100016993582_100000740010 [0,1,0,0,0,1|2,0,0]=4 2804 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,1,0,0,0,1|1,0,0]=3 2805 B10R0.3 COCC(=O)CCC=C(F)F 1458a_100000210968_200009816681 [0,1,0,0,0,1|2,0,0]=4 2806 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,1|0,0,0]=2 2807 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,1,0,0,0,1|1,0,0]=3 2808 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,1,0,0,0,1|1,0,1]=4 2809 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,1,0,0,0,1|0,0,2]=4 2810 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,1,0,0,0,1|2,0,0]=4 2811 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,1,0,0,0,1|0,0,0]=2 2812 B10R0.3 COCC(=O)CCNC(=O)N 1458a_100000210968_200000034859 [0,1,0,0,0,1|1,0,0]=3 2813 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,1,0,0,0,1|0,0,0]=2 2814 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,1,0,0,0,1|1,0,0]=3 2815 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,1,0,0,0,1|1,0,1]=4 2816 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,1,0,0,0,1|1,0,1]=4 2817 B10R0.3 COCC(=O)NCC=C(C)C 11a_100000718196_100000210968 [0,1,0,0,0,1|1,0,1]=4 2818 B10R0.3 COCC(=O)NCC=C(C)C 1626a_100000718196_100000210968 [0,1,0,0,0,1|1,0,1]=4 2819 B10R0.3 COCC(=O)NCC=C(C)C 527a_100000718196_100000210968 [0,1,0,0,0,1|1,0,1]=4 2820 B10R0.3 COCC(=O)NCCC(=O)N 11a_100000740010_100000210968 [0,1,0,0,0,1|1,0,0]=3 2821 B10R0.3 COCC(=O)NCCC(=O)N 240690a_100000740010_100000210968 [0,1,0,0,0,1|1,0,0]=3 2822 B10R0.3 COCC(=O)NCCC(=O)N 527a_100000740010_100000210968 [0,1,0,0,0,1|1,0,0]=3 2823 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,1,0,0,0,1|1,0,1]=4 2824 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,1,0,0,0,1|1,0,1]=4 2825 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,1,0,0,0,1|1,0,1]=4 2826 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,1,0,0,0,1|1,0,1]=4 2827 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,1,0,0,0,1|0,0,2]=4 2828 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,1,0,0,0,1|0,0,2]=4 2829 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,1,0,0,0,1|2,0,0]=4 2830 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,1,0,0,0,1|2,0,0]=4 2831 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,1,0,0,0,1|1,0,1]=4 2832 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,1,0,0,0,1|1,0,1]=4 2833 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,1,0,0,0,1|1,0,1]=4 2834 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,1,0,0,0,1|1,0,1]=4 2835 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,1,0,0,0,1|0,0,2]=4 2836 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,1,0,0,0,1|1,1,0]=4 2837 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,1|0,1,0]=3 2838 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,1,0,0,0,1|1,1,0]=4 2839 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,1,0,0,0,1|0,1,0]=3 2840 B10R0.3 CSCC(=O)CCNC(=O)N 1458a_100000184570_200000034859 [0,1,0,0,0,1|1,1,0]=4 2841 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,1,0,0,0,1|0,1,0]=3 2842 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,1,0,0,0,1|1,1,0]=4 2843 B10R0.3 CSCC(=O)NCCC(=O)N 11a_100000740010_100000184570 [0,1,0,0,0,1|1,1,0]=4 2844 B10R0.3 CSCC(=O)NCCC(=O)N 240690a_100000740010_100000184570 [0,1,0,0,0,1|1,1,0]=4 2845 B10R0.3 CSCC(=O)NCCC(=O)N 527a_100000740010_100000184570 [0,1,0,0,0,1|1,1,0]=4 2846 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,1,0,0,0,1|2,0,0]=4 2847 B10R0.3 NC(=O)CCNC(=O)CCO 240690a_100000740010_100011216618 [0,1,0,0,0,1|2,0,0]=4 2848 B10R0.3 NC(=O)CNCC(=O)NCO 2230a_100000711301_100000185155 [0,1,0,0,0,1|2,0,0]=4 2849 B10R0.3 NC(=O)COCC(=O)CCF 1458a_100011219004_100011217306 [0,1,0,0,0,1|2,0,0]=4 2850 B10R0.3 NC(=O)COCC(=O)CCO 1458a_100011219004_100000211926 [0,1,0,0,0,1|2,0,0]=4 2851 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000185155_100000747473 [0,1,0,0,0,1|2,0,0]=4 2852 B10R0.3 NC(=O)CSCC(=O)NCO 62a_100000747473_100000185155 [0,1,0,0,0,1|2,0,0]=4 2853 B10R0.3 NC(=O)NCCC(=O)CCF 1458a_100000181464_100011217306 [0,1,0,0,0,1|2,0,0]=4 2854 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100000181464_100000211926 [0,1,0,0,0,1|2,0,0]=4 2855 B10R0.3 NC(=O)NCCC(=O)CCO 1458a_100011216618_200000034859 [0,1,0,0,0,1|2,0,0]=4 2856 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,1,0,0,0,1|2,0,0]=4 2857 B10R0.3 O=C(O)CNCC(=O)NCO 269956a_100016091260_100000185155 [0,1,0,0,0,1|2,0,0]=4 2858 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100000185155_100020667443 [0,1,0,0,0,1|2,0,0]=4 2859 B10R0.3 O=C([O-])CSCC(=O)NCO 62a_100020667443_100000185155 [0,1,0,0,0,1|2,0,0]=4 2860 B10R0.3 [13CH3]NCC(=O)NCCC(=O)N 2230a_200138414118_200025704644 [0,1,0,0,0,1|2,0,0]=4 2861 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,1,0,0,0,1|1,0,0]=3 2862 B10R0.44 C=C(C)CN(C)CC(=O)CC 269982a_100000225649_100000747405 [0,1,0,0,0,1|2,0,0]=4 2863 B10R0.44 C=C(C)CN(C)CC(=O)NC 2230a_100000189611_100000748629 [0,1,0,0,0,1|2,0,0]=4 2864 B10R0.44 C=C(C)CN(C)CC(=O)NC 2230a_100000225649_100000183359 [0,1,0,0,0,1|2,0,0]=4 2865 B10R0.44 C=C(C)CN(C)CC(=O)NC 269982a_100000225649_100000183359 [0,1,0,0,0,1|2,0,0]=4 2866 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000198492_100000748629 [0,1,0,0,0,1|1,0,0]=3 2867 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000225649_100000747449 [0,1,0,0,0,1|1,0,0]=3 2868 B10R0.44 C=C(C)CN(C)CC(=O)OC 269982a_100000225649_100000747449 [0,1,0,0,0,1|1,0,0]=3 2869 B10R0.44 C=C(F)CC(=O)CC(=O)OC 1458a_100000211351_100009893438 [0,1,0,0,0,1|1,0,1]=4 2870 B10R0.44 C=C(F)CN(C)CC(=O)OC 2230a_100000198492_100009893438 [0,1,0,0,0,1|1,0,1]=4 2871 B10R0.44 CCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747405 [0,1,0,0,0,1|2,0,0]=4 2872 B10R0.44 CCC(=O)CC(=O)NC(=O)C 1458a_100000210414_100000183797 [0,1,0,0,0,1|1,0,1]=4 2873 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,1|2,0,0]=4 2874 B10R0.44 CNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000183359 [0,1,0,0,0,1|2,0,0]=4 2875 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000189611_100000747473 [0,1,0,0,0,1|2,0,0]=4 2876 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183359 [0,1,0,0,0,1|2,0,0]=4 2877 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,1,0,0,0,1|2,0,0]=4 2878 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,1,0,0,0,1|1,0,1]=4 2879 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [0,1,0,0,0,1|1,0,1]=4 2880 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [0,1,0,0,0,1|1,0,1]=4 2881 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [0,1,0,0,0,1|1,0,0]=3 2882 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [0,1,0,0,0,1|1,0,0]=3 2883 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [0,1,0,0,0,1|1,0,0]=3 2884 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,1,0,0,0,1|1,0,1]=4 2885 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,1,0,0,0,1|1,0,1]=4 2886 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,1,0,0,0,1|0,0,2]=4 2887 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,1,0,0,0,1|2,0,0]=4 2888 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,1,0,0,0,1|0,0,2]=4 2889 B10R0.44 COC(=O)CC(=O)C[N+](=O)[O-] 1458a_100000211351_100000761209 [0,1,0,0,0,1|2,0,0]=4 2890 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,1,0,0,0,1|2,0,0]=4 2891 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,1,0,0,0,1|0,0,0]=2 2892 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,1,0,0,0,1|0,0,0]=2 2893 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,1,0,0,0,1|1,0,1]=4 2894 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,1,0,0,0,1|1,0,1]=4 2895 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,1,0,0,0,1|1,0,1]=4 2896 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,1,0,0,0,1|1,0,1]=4 2897 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,1,0,0,0,1|1,0,1]=4 2898 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000198492_100000747473 [0,1,0,0,0,1|1,0,0]=3 2899 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747449 [0,1,0,0,0,1|1,0,0]=3 2900 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,1|1,0,0]=3 2901 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,1,0,0,0,1|1,0,1]=4 2902 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,1,0,0,0,1|1,0,1]=4 2903 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,1,0,0,0,1|1,0,1]=4 2904 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,1,0,0,0,1|1,0,1]=4 2905 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,1,0,0,0,1|0,0,2]=4 2906 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,1,0,0,0,1|0,0,2]=4 2907 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,1,0,0,0,1|0,0,2]=4 2908 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,1,0,0,0,1|0,0,2]=4 2909 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,1,0,0,0,1|0,0,0]=2 2910 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,1,0,0,0,1|0,0,1]=3 2911 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,1,0,0,0,1|2,0,0]=4 2912 B10R0.57 C=C(C)CNC(=O)C(=O)OC 11a_100000765925_100000024059 [0,1,0,0,0,1|1,0,1]=4 2913 B10R0.57 C=C(C)CNC(=O)C(=O)OC 1626a_100000765925_100000024059 [0,1,0,0,0,1|1,0,1]=4 2914 B10R0.57 C=C(C)CNC(=O)C(=O)OC 240690a_100000765925_100000024059 [0,1,0,0,0,1|1,0,1]=4 2915 B10R0.57 C=C(C)CNC(=O)C(=O)OC 527a_100000765925_100000024059 [0,1,0,0,0,1|1,0,1]=4 2916 B10R0.57 C=C(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100000748629 [0,1,0,0,0,1|2,0,0]=4 2917 B10R0.57 C=C(C)CN[C@H](C)C(=O)NC 34a_100000684985_100000748629 [0,1,0,0,0,1|2,0,0]=4 2918 B10R0.57 C=C(C)COC(C)C(=O)NC 34a_100000210245_100000731044 [0,1,0,0,0,1|2,0,0]=4 2919 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100000210245_100000211248 [0,1,0,0,0,1|1,0,0]=3 2920 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100011215400_100000748629 [0,1,0,0,0,1|1,0,0]=3 2921 B10R0.57 C=C(C)COC(F)C(=O)NC 34a_100000210245_100009813575 [0,1,0,0,0,1|2,0,0]=4 2922 B10R0.57 C=C(C)CSC(C)C(=O)CC 62a_100000742827_100000211660 [0,1,0,0,0,1|2,0,0]=4 2923 B10R0.57 C=C(C)CSC(C)C(=O)CC 62a_100000748629_100000742827 [0,1,0,0,0,1|2,0,0]=4 2924 B10R0.57 C=C(C)CSC(C)C(=O)NC 62a_100000209862_100000211660 [0,1,0,0,0,1|2,0,0]=4 2925 B10R0.57 C=C(C)CSC(C)C(=O)NC 62a_100000748629_100000731044 [0,1,0,0,0,1|2,0,0]=4 2926 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000211248_100000211660 [0,1,0,0,0,1|1,0,0]=3 2927 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000748629_100000211248 [0,1,0,0,0,1|1,0,0]=3 2928 B10R0.57 C=C(C)CSC(F)C(=O)NC 62a_100000748629_100009813575 [0,1,0,0,0,1|2,0,0]=4 2929 B10R0.57 C=C(C)CSC(F)C(=O)NC 62a_100009813575_100000211660 [0,1,0,0,0,1|2,0,0]=4 2930 B10R0.57 C=C(F)COC(C)C(=O)OC 34a_100011215400_100009893438 [0,1,0,0,0,1|1,0,1]=4 2931 B10R0.57 C=C(F)COC(C)C(=O)OC 34a_200010262243_100000211248 [0,1,0,0,0,1|1,0,1]=4 2932 B10R0.57 C=C(F)CSC(C)C(=O)OC 62a_100000042424_100000211248 [0,1,0,0,0,1|1,0,1]=4 2933 B10R0.57 C=C(F)CSC(C)C(=O)OC 62a_100000211248_100000042424 [0,1,0,0,0,1|1,0,1]=4 2934 B10R0.57 CC(=O)SC[C@@H](C)C(=O)CF 1458a_200015407212_100015361967 [0,1,0,0,0,1|2,0,0]=4 2935 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,1,0,0,0,1|2,0,0]=4 2936 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,1,0,0,0,1|2,0,0]=4 2937 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000742827_100000747473 [0,1,0,0,0,1|2,0,0]=4 2938 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000747473_100000742827 [0,1,0,0,0,1|2,0,0]=4 2939 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100000742827_100020667443 [0,1,0,0,0,1|2,0,0]=4 2940 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000742827 [0,1,0,0,0,1|2,0,0]=4 2941 B10R0.57 CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210414 [0,1,0,0,0,1|2,0,0]=4 2942 B10R0.57 CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210414 [0,1,0,0,0,1|2,0,0]=4 2943 B10R0.57 CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210414 [0,1,0,0,0,1|2,0,0]=4 2944 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,1,0,0,0,1|1,0,0]=3 2945 B10R0.57 CNC(=O)C(C)CNC(=O)C 11a_100015187722_100015343762 [0,1,0,0,0,1|1,0,0]=3 2946 B10R0.57 CNC(=O)C(C)CNC(=O)C 240690a_100015187722_100015343762 [0,1,0,0,0,1|1,0,0]=3 2947 B10R0.57 CNC(=O)C(C)CNC(=O)C 527a_100015187722_100103153847 [0,1,0,0,0,1|1,0,0]=3 2948 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [0,1,0,0,0,1|2,0,0]=4 2949 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,1,0,0,0,1|2,0,0]=4 2950 B10R0.57 CNC(=O)C(C)OCC(=O)C 34a_100000211253_100000731044 [0,1,0,0,0,1|1,0,0]=3 2951 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000209862_100000747473 [0,1,0,0,0,1|2,0,0]=4 2952 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000747473_100000731044 [0,1,0,0,0,1|2,0,0]=4 2953 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100000209862_100020667443 [0,1,0,0,0,1|2,0,0]=4 2954 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000731044 [0,1,0,0,0,1|2,0,0]=4 2955 B10R0.57 CNC(=O)C(F)NCC(=O)N 2230a_100000711301_100009813575 [0,1,0,0,0,1|2,0,0]=4 2956 B10R0.57 CNC(=O)C(F)OCC(=O)C 34a_100000211253_100009813575 [0,1,0,0,0,1|1,0,0]=3 2957 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100000747473_100009813575 [0,1,0,0,0,1|2,0,0]=4 2958 B10R0.57 CNC(=O)C(F)SCC(=O)N 62a_100009813575_100000747473 [0,1,0,0,0,1|2,0,0]=4 2959 B10R0.57 CNC(=O)C(F)SCC(=O)[O-] 62a_100009813575_100020667443 [0,1,0,0,0,1|2,0,0]=4 2960 B10R0.57 CNC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813575 [0,1,0,0,0,1|2,0,0]=4 2961 B10R0.57 CNC(=O)N(C)CCC(=O)N 2708a_100102657272_100000730477 [0,1,0,0,0,1|2,0,0]=4 2962 B10R0.57 CNC(=O)N(C)CCC(=O)N 273464a_100102657272_100000730477 [0,1,0,0,0,1|2,0,0]=4 2963 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [0,1,0,0,0,1|2,0,0]=4 2964 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [0,1,0,0,0,1|2,0,0]=4 2965 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)[O-] 34a_100000684985_100020667443 [0,1,0,0,0,1|2,0,0]=4 2966 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 11a_106832991635_200015407212 [0,1,0,0,0,1|1,0,0]=3 2967 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 1626a_100102657272_200015407212 [0,1,0,0,0,1|1,0,0]=3 2968 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 240690a_100102657272_200015407212 [0,1,0,0,0,1|1,0,0]=3 2969 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 527a_100102657272_200015407212 [0,1,0,0,0,1|1,0,0]=3 2970 B10R0.57 COC(=O)C(=NNC(=O)C)C 4a_100000189765_100000211753 [0,1,0,0,0,1|1,0,1]=4 2971 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,1,0,0,0,1|1,0,1]=4 2972 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,1,0,0,0,1|1,0,1]=4 2973 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,1,0,0,0,1|1,0,1]=4 2974 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,1|0,0,0]=2 2975 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,1,0,0,0,1|2,0,0]=4 2976 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,1,0,0,0,1|2,0,0]=4 2977 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,1,0,0,0,1|1,0,1]=4 2978 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,1,0,0,0,1|1,0,1]=4 2979 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,1,0,0,0,1|1,0,1]=4 2980 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,1,0,0,0,1|1,0,1]=4 2981 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,1,0,0,0,1|1,0,1]=4 2982 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,1,0,0,0,1|1,0,1]=4 2983 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,1,0,0,0,1|1,0,0]=3 2984 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,1,0,0,0,1|1,0,1]=4 2985 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,1,0,0,0,1|1,0,1]=4 2986 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,1,0,0,0,1|0,0,2]=4 2987 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,1,0,0,0,1|0,0,2]=4 2988 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,1,0,0,0,1|0,0,0]=2 2989 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,1,0,0,0,1|1,0,0]=3 2990 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,1,0,0,0,1|1,0,0]=3 2991 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,1,0,0,0,1|1,0,1]=4 2992 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,1,0,0,0,1|1,0,1]=4 2993 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,1,0,0,0,1|1,0,1]=4 2994 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,1,0,0,0,1|1,0,1]=4 2995 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,1,0,0,0,1|0,0,2]=4 2996 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,1,0,0,0,1|1,0,1]=4 2997 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,1,0,0,0,1|1,0,1]=4 2998 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,1,0,0,0,1|0,0,2]=4 2999 B10R0.57 COC(=O)C(C)OC[N+](=O)[O-] 34a_100011215400_100000761209 [0,1,0,0,0,1|2,0,0]=4 3000 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,1,0,0,0,1|1,0,0]=3 3001 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,1,0,0,0,1|1,0,0]=3 3002 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,1,0,0,0,1|1,0,0]=3 3003 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,1,0,0,0,1|1,0,0]=3 3004 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,1,0,0,0,1|1,0,1]=4 3005 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,1,0,0,0,1|1,0,1]=4 3006 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,1,0,0,0,1|0,0,2]=4 3007 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,1,0,0,0,1|0,0,2]=4 3008 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,1,0,0,0,1|0,0,2]=4 3009 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,1,0,0,0,1|0,0,2]=4 3010 B10R0.57 COC(=O)C(C)SC[N+](=O)[O-] 62a_100000211248_100000761209 [0,1,0,0,0,1|2,0,0]=4 3011 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,1,0,0,0,1|1,0,1]=4 3012 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,1,0,0,0,1|0,0,0]=2 3013 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,1,0,0,0,1|1,0,1]=4 3014 B10R0.59 C#CC(=O)CCCC(=O)NC 1458a_100000211873_100000741757 [0,1,0,0,0,1|1,0,1]=4 3015 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [0,1,0,0,0,1|0,0,1]=3 3016 B10R0.59 C#CC(=O)CCOC(=O)NC 1458a_100000211873_200011997002 [0,1,0,0,0,1|1,0,1]=4 3017 B10R0.59 C#CC(C)NCCC(=O)OC 2230a_100000707721_100000204255 [0,1,0,0,0,1|1,0,1]=4 3018 B10R0.59 C#CC(C)NCCC(=O)OC 34a_100000707721_100000742370 [0,1,0,0,0,1|1,0,1]=4 3019 B10R0.59 C#CC(C)SCCC(=O)OC 62a_200000035995_100000204255 [0,1,0,0,0,1|1,0,1]=4 3020 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 34a_100009815206_100000742370 [0,1,0,0,0,1|1,0,1]=4 3021 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 7a_100009815206_100000204255 [0,1,0,0,0,1|1,0,1]=4 3022 B10R0.59 C=C(C#N)CSCC(=O)OC 62a_100000747449_100000694840 [0,1,0,0,0,1|1,0,1]=4 3023 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [0,1,0,0,0,1|1,0,1]=4 3024 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,1,0,0,0,1|0,0,1]=3 3025 B10R0.59 C=CC(=O)CCOC(=O)NC 1458a_100000185746_200011997002 [0,1,0,0,0,1|1,0,1]=4 3026 B10R0.59 C=CC(=O)NCCC(=O)NC 240690a_100000738227_200121576911 [0,1,0,0,0,1|1,0,1]=4 3027 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000065099_100000210202 [0,1,0,0,0,1|1,0,1]=4 3028 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000210414_100009813456 [0,1,0,0,0,1|1,0,1]=4 3029 B10R0.59 C=CC(=O)OCCC(=O)CF 1458a_100000065099_100015361967 [0,1,0,0,0,1|1,0,1]=4 3030 B10R0.59 C=CC(=O)OCCC(=O)CO 1458a_100000210174_100009813456 [0,1,0,0,0,1|1,0,1]=4 3031 B10R0.59 C=CC(=O)OCCC(=O)NC 240690a_100102657272_100000065099 [0,1,0,0,0,1|1,0,1]=4 3032 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,1,0,0,0,1|1,0,1]=4 3033 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,1,0,0,0,1|1,0,1]=4 3034 B10R0.59 C=CC(C)OCCC(=O)OC 34a_100000695699_100000742370 [0,1,0,0,0,1|1,0,1]=4 3035 B10R0.59 C=CC(C)SCCC(=O)OC 62a_100011215867_100000204255 [0,1,0,0,0,1|1,0,1]=4 3036 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,1,0,0,0,1|1,0,0]=3 3037 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,1,0,0,0,1|0,0,0]=2 3038 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,1,0,0,0,1|0,0,0]=2 3039 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,1,0,0,0,1|2,0,0]=4 3040 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,1,0,0,0,1|1,0,0]=3 3041 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,1,0,0,0,1|1,0,0]=3 3042 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,1,0,0,0,1|0,0,0]=2 3043 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,1,0,0,0,1|1,0,0]=3 3044 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,1,0,0,0,1|1,0,0]=3 3045 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,1,0,0,0,1|1,0,0]=3 3046 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,1,0,0,0,1|0,0,0]=2 3047 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,1,0,0,0,1|0,0,0]=2 3048 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,1,0,0,0,1|0,0,0]=2 3049 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,1,0,0,0,1|1,0,0]=3 3050 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,1,0,0,0,1|1,0,0]=3 3051 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,1,0,0,0,1|1,0,0]=3 3052 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,1,0,0,0,1|0,0,0]=2 3053 B10R0.59 CCC(=O)NN=CC(=O)OC 4a_100000183195_200011823558 [0,1,0,0,0,1|1,0,1]=4 3054 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,1,0,0,0,1|1,0,1]=4 3055 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,1,0,0,0,1|1,0,1]=4 3056 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,1,0,0,0,1|1,0,1]=4 3057 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,1,0,0,0,1|1,0,1]=4 3058 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,1,0,0,0,1|1,0,1]=4 3059 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,1,0,0,0,1|1,0,1]=4 3060 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,1,0,0,0,1|1,0,1]=4 3061 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,1,0,0,0,1|0,0,2]=4 3062 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,1,0,0,0,1|0,0,2]=4 3063 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,1,0,0,0,1|0,0,2]=4 3064 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,1,0,0,0,1|2,0,0]=4 3065 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,1,0,0,0,1|2,0,0]=4 3066 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,1,0,0,0,1|2,0,0]=4 3067 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,1,0,0,0,1|1,0,1]=4 3068 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,1,0,0,0,1|1,0,1]=4 3069 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,1,0,0,0,1|1,0,1]=4 3070 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,1,0,0,0,1|1,0,0]=3 3071 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,1,0,0,0,1|0,0,0]=2 3072 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,1,0,0,0,1|0,0,0]=2 3073 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,1,0,0,0,1|0,0,0]=2 3074 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,1,0,0,0,1|0,0,0]=2 3075 B10R0.59 CNC(=O)CCCN(C)N=O 11a_106832991635_200000076914 [0,1,0,0,0,1|2,0,0]=4 3076 B10R0.59 CNC(=O)CCCN(C)N=O 1626a_100102657272_200000076914 [0,1,0,0,0,1|2,0,0]=4 3077 B10R0.59 CNC(=O)CCCN(C)N=O 240690a_100102657272_200000076914 [0,1,0,0,0,1|2,0,0]=4 3078 B10R0.59 CNC(=O)CCCN(C)N=O 527a_100102657272_200000076914 [0,1,0,0,0,1|2,0,0]=4 3079 B10R0.59 CNC(=O)CCNC(=O)CO 240690a_100000738227_100000210174 [0,1,0,0,0,1|1,0,0]=3 3080 B10R0.59 CNC(=O)CCNC(=O)CO 527a_100000738227_100000210174 [0,1,0,0,0,1|1,0,0]=3 3081 B10R0.59 CNC(=O)CCNC(=O)NC 2708a_100102657272_100000738227 [0,1,0,0,0,1|1,0,0]=3 3082 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100000738227_100102657272 [0,1,0,0,0,1|1,0,0]=3 3083 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100102657272_100000738227 [0,1,0,0,0,1|1,0,0]=3 3084 B10R0.59 CNC(=O)CCNC(=O)NC 512a_100000738227_100102657272 [0,1,0,0,0,1|1,0,0]=3 3085 B10R0.59 CNC(=O)CCNC(=O)NC 512a_106832991638_100000738227 [0,1,0,0,0,1|1,0,0]=3 3086 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,1,0,0,0,1|1,0,1]=4 3087 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,1,0,0,0,1|1,0,1]=4 3088 B10R0.59 CNC(=O)CNCC(=O)NC 2230a_100000693194_100000183359 [0,1,0,0,0,1|1,0,0]=3 3089 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,1,0,0,0,1|0,0,0]=2 3090 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,1,0,0,0,1|1,0,1]=4 3091 B10R0.59 CNC(=O)COCC(=O)NC 34a_100000750040_100000183359 [0,1,0,0,0,1|1,0,0]=3 3092 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,1,0,0,0,1|0,0,0]=2 3093 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,1,0,0,0,1|1,0,1]=4 3094 B10R0.59 CNC(=O)CSCC(=O)NC 62a_100000183359_100000183359 [0,1,0,0,0,1|1,0,0]=3 3095 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,1,0,0,0,1|0,0,0]=2 3096 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,1,0,0,0,1|0,0,0]=2 3097 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,1,0,0,0,1|0,0,0]=2 3098 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,1,0,0,0,1|0,0,0]=2 3099 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,1,0,0,0,1|0,0,0]=2 3100 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [0,1,0,0,0,1|1,0,0]=3 3101 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,1,0,0,0,1|0,0,0]=2 3102 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,1,0,0,0,1|0,0,0]=2 3103 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,1,0,0,0,1|2,0,0]=4 3104 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,1,0,0,0,1|0,0,0]=2 3105 B10R0.59 COC(=O)CCNC(C)C#N 2230a_100000737613_100000204255 [0,1,0,0,0,1|1,0,1]=4 3106 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,1,0,0,0,1|0,0,2]=4 3107 B10R0.59 COC(=O)CCOC(C)C#N 34a_100011218135_100000742370 [0,1,0,0,0,1|1,0,1]=4 3108 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,1,0,0,0,1|1,0,1]=4 3109 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,1,0,0,0,1|1,0,1]=4 3110 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,1,0,0,0,1|1,0,1]=4 3111 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000204255_100000703298 [0,1,0,0,0,1|1,0,1]=4 3112 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000703298_100000204255 [0,1,0,0,0,1|1,0,1]=4 3113 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,1,0,0,0,1|0,0,2]=4 3114 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,1,0,0,0,1|0,0,2]=4 3115 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,1,0,0,0,1|0,0,2]=4 3116 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,1,0,0,0,1|0,0,2]=4 3117 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,1,0,0,0,1|0,0,2]=4 3118 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,1,0,0,0,1|0,0,2]=4 3119 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,1,0,0,0,1|0,0,2]=4 3120 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,1,0,0,0,1|1,0,1]=4 3121 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,1,0,0,0,1|0,0,2]=4 3122 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,1,0,0,0,1|1,0,1]=4 3123 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,1,0,0,0,1|0,0,2]=4 3124 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,1,0,0,0,1|1,0,1]=4 3125 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,1,0,0,0,1|1,0,1]=4 3126 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [0,1,0,0,0,1|0,0,0]=2 3127 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,1,0,0,0,1|0,0,0]=2 3128 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,1,0,0,0,1|0,0,2]=4 3129 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,1,0,0,0,1|0,0,2]=4 3130 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,1,0,0,0,1|0,0,2]=4 3131 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,1,0,0,0,1|0,0,2]=4 3132 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,1,0,0,0,1|0,0,2]=4 3133 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,1,0,0,0,1|0,0,2]=4 3134 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,1,0,0,0,1|0,0,2]=4 3135 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,1,0,0,0,1|0,0,2]=4 3136 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [0,1,0,0,0,1|2,0,0]=4 3137 B10R0.60 CCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210202 [0,1,0,0,0,1|2,0,0]=4 3138 B10R0.60 CCC(=O)CCNS(=O)(=O)C 1458a_100000210414_100000754112 [0,1,0,0,0,1|2,0,0]=4 3139 B10R0.60 CCC(=O)CCOS(=O)(=O)C 1458a_100000210414_200000036756 [0,1,0,0,0,1|2,0,0]=4 3140 B10R0.60 CCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210414 [0,1,0,0,0,1|2,0,0]=4 3141 B10R0.60 CCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210414 [0,1,0,0,0,1|2,0,0]=4 3142 B10R0.60 CCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210414 [0,1,0,0,0,1|2,0,0]=4 3143 B10R0.60 CCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000210414 [0,1,0,0,0,1|2,0,0]=4 3144 B10R0.60 CNC(=O)CCNS(=O)(=O)C 1626a_100102657272_100000165793 [0,1,0,0,0,1|2,0,0]=4 3145 B10R0.60 CNC(=O)CCNS(=O)(=O)C 240690a_100102657272_100000165793 [0,1,0,0,0,1|2,0,0]=4 3146 B10R0.60 CNC(=O)CCNS(=O)(=O)C 40a_100000738227_100000738038 [0,1,0,0,0,1|2,0,0]=4 3147 B10R0.60 CNC(=O)CCNS(=O)(=O)C 527a_100102657272_100000165793 [0,1,0,0,0,1|2,0,0]=4 3148 B10R0.60 CNC(=O)NCCS(=O)(=O)C 2708a_100000740961_106832991635 [0,1,0,0,0,1|2,0,0]=4 3149 B10R0.60 CNC(=O)NCCS(=O)(=O)C 2708a_100102657272_100000740961 [0,1,0,0,0,1|2,0,0]=4 3150 B10R0.60 CNC(=O)NCCS(=O)(=O)C 273464a_100000740961_100102657272 [0,1,0,0,0,1|2,0,0]=4 3151 B10R0.60 CNC(=O)NCCS(=O)(=O)C 273464a_100102657272_100000740961 [0,1,0,0,0,1|2,0,0]=4 3152 B10R0.60 CNC(=O)NCCS(=O)(=O)C 512a_100000740961_100102657272 [0,1,0,0,0,1|2,0,0]=4 3153 B10R0.60 CNC(=O)NCCS(=O)(=O)C 512a_106832991638_100000740961 [0,1,0,0,0,1|2,0,0]=4 3154 B10R0.60 COC(=O)CCNC(C)(C)C 2230a_100000715429_100000204255 [0,1,0,0,0,1|1,0,1]=4 3155 B10R0.60 COC(=O)CCOC(C)(C)C 34a_100015890283_100000742370 [0,1,0,0,0,1|1,0,1]=4 3156 B10R0.60 COC(=O)CCOC(C)(C)C 7a_100015890283_100000204255 [0,1,0,0,0,1|1,0,1]=4 3157 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000204255_100000211941 [0,1,0,0,0,1|1,0,1]=4 3158 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000211941_100000204255 [0,1,0,0,0,1|1,0,1]=4 3159 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,1,0,0,0,1|1,0,1]=4 3160 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,1,0,0,0,1|1,0,1]=4 3161 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,1,0,0,0,1|0,0,2]=4 3162 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,1,0,0,0,1|1,0,1]=4 3163 B10R0.60 COC(=O)COCC(C)(F)F 34a_100000068830_100000747449 [0,1,0,0,0,1|1,0,1]=4 3164 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,1,0,0,0,1|1,0,1]=4 3165 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,1,0,0,0,1|1,0,1]=4 3166 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,1,0,0,0,1|1,0,1]=4 3167 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,1,0,0,0,1|1,0,1]=4 3168 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,1,0,0,0,1|0,0,2]=4 3169 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,1,0,0,0,1|0,0,2]=4 3170 B10R0.60 COC(=O)CSCS(=O)(=O)N 62a_100000741382_100000747449 [0,1,0,0,0,1|2,0,0]=4 3171 B10R0.60 COC(=O)CSCS(=O)(=O)N 62a_100000747449_100000741382 [0,1,0,0,0,1|2,0,0]=4 3172 B10R0.60 COC(=O)CSCS(=O)(=O)[O-] 62a_100000747449_100009817235 [0,1,0,0,0,1|2,0,0]=4 3173 B10R0.60 COC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000747449 [0,1,0,0,0,1|2,0,0]=4 3174 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_100000747449_200000036245 [0,1,0,0,0,1|2,0,0]=4 3175 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747449 [0,1,0,0,0,1|2,0,0]=4 3176 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747449 [0,1,0,0,0,1|1,1,0]=4 3177 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000747449_100000037933 [0,1,0,0,0,1|1,1,0]=4 3178 B10R0.65 CCS(=O)(=O)CCNC(=O)C 11a_100000751051_100015343762 [0,1,0,0,0,1|2,0,0]=4 3179 B10R0.65 CCS(=O)(=O)CCNC(=O)C 1626a_100000751051_100015343762 [0,1,0,0,0,1|2,0,0]=4 3180 B10R0.65 CCS(=O)(=O)CCNC(=O)C 240690a_100000751051_100015343762 [0,1,0,0,0,1|2,0,0]=4 3181 B10R0.65 CCS(=O)(=O)CCNC(=O)C 527a_100000751051_100103153847 [0,1,0,0,0,1|2,0,0]=4 3182 B10R0.65 CNS(=O)(=O)CCNC(=O)C 11a_100000710037_100015343762 [0,1,0,0,0,1|2,0,0]=4 3183 B10R0.65 CNS(=O)(=O)CCNC(=O)C 240690a_100000710037_100015343762 [0,1,0,0,0,1|2,0,0]=4 3184 B10R0.65 CNS(=O)(=O)CCNC(=O)C 527a_100000710037_100103153847 [0,1,0,0,0,1|2,0,0]=4 3185 B10R0.65 CNS(=O)(=O)CCOC(=O)C 270084a_100102657272_200000119425 [0,1,0,0,0,1|2,0,0]=4 3186 B10R0.65 CNS(=O)(=O)CCOC(=O)C 274078a_100102657272_200000119425 [0,1,0,0,0,1|2,0,0]=4 3187 B10R0.65 COC(C)(C)COCC(=O)C 34a_100000211253_100000701081 [0,1,0,0,0,1|1,0,1]=4 3188 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,1,0,0,0,1|0,0,2]=4 3189 B10R0.77 COC(COCC(=O)C)OC 34a_100000211253_100000211822 [0,1,0,0,0,1|0,0,2]=4 3190 B10R0.82 C=C(C)C(=O)NCC(=O)OC 188690a_100000185156_100000185857 [0,1,0,0,0,1|1,0,1]=4 3191 B10R0.82 C=C(C)C(C)NCC(=O)NC 269862a_100000693194_100011216138 [0,1,0,0,0,1|2,0,0]=4 3192 B10R0.82 CC(=O)N(C)CCC(=O)CF 1458a_100011216537_100015361967 [0,1,0,0,0,1|2,0,0]=4 3193 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,1,0,0,0,1|1,0,0]=3 3194 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,1|2,0,0]=4 3195 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,1,0,0,0,1|2,0,0]=4 3196 B10R0.82 CCC(=O)COC(F)C(=O)N 34a_100000725409_100009813875 [0,1,0,0,0,1|2,0,0]=4 3197 B10R0.82 CCC(=O)COC(F)C(=O)[O-] 34a_100000725409_100020610796 [0,1,0,0,0,1|2,0,0]=4 3198 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,1,0,0,0,1|2,0,0]=4 3199 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,1,0,0,0,1|2,0,0]=4 3200 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,1,0,0,0,1|1,0,0]=3 3201 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,1,0,0,0,1|1,0,0]=3 3202 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,1,0,0,0,1|2,0,0]=4 3203 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,1,0,0,0,1|2,0,0]=4 3204 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100000747405_100009813875 [0,1,0,0,0,1|2,0,0]=4 3205 B10R0.82 CCC(=O)CSC(F)C(=O)N 62a_100009813875_100000747405 [0,1,0,0,0,1|2,0,0]=4 3206 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100000747405_100020610796 [0,1,0,0,0,1|2,0,0]=4 3207 B10R0.82 CCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747405 [0,1,0,0,0,1|2,0,0]=4 3208 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_100000750875_100015343762 [0,1,0,0,0,1|1,0,0]=3 3209 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_106832991635_100011216537 [0,1,0,0,0,1|1,0,0]=3 3210 B10R0.82 CNC(=O)CCN(C)C(=O)C 1626a_100102657272_100011216537 [0,1,0,0,0,1|1,0,0]=3 3211 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100000750875_100015343762 [0,1,0,0,0,1|1,0,0]=3 3212 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100102657272_100011216537 [0,1,0,0,0,1|1,0,0]=3 3213 B10R0.82 CNC(=O)CCN(C)C(=O)C 527a_100000750875_100103153847 [0,1,0,0,0,1|1,0,0]=3 3214 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,1,0,0,0,1|1,0,0]=3 3215 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,1,0,0,0,1|2,0,0]=4 3216 B10R0.82 CNC(=O)CNC(F)C(=O)N 2230a_100000693194_100009813875 [0,1,0,0,0,1|2,0,0]=4 3217 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,1|2,0,0]=4 3218 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,1,0,0,0,1|2,0,0]=4 3219 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,1,0,0,0,1|2,0,0]=4 3220 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,1,0,0,0,1|1,0,0]=3 3221 B10R0.82 CNC(=O)COC(C)C(=O)N 34a_100000750040_100000702099 [0,1,0,0,0,1|2,0,0]=4 3222 B10R0.82 CNC(=O)COC(F)C(=O)N 34a_100000750040_100009813875 [0,1,0,0,0,1|2,0,0]=4 3223 B10R0.82 CNC(=O)COC(F)C(=O)[O-] 34a_100000750040_100020610796 [0,1,0,0,0,1|2,0,0]=4 3224 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183359 [0,1,0,0,0,1|2,0,0]=4 3225 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183359 [0,1,0,0,0,1|2,0,0]=4 3226 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183359 [0,1,0,0,0,1|2,0,0]=4 3227 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,1,0,0,0,1|1,0,0]=3 3228 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,1,0,0,0,1|1,0,0]=3 3229 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000183359_100000702099 [0,1,0,0,0,1|2,0,0]=4 3230 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183359 [0,1,0,0,0,1|2,0,0]=4 3231 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100000183359_100009813875 [0,1,0,0,0,1|2,0,0]=4 3232 B10R0.82 CNC(=O)CSC(F)C(=O)N 62a_100009813875_100000183359 [0,1,0,0,0,1|2,0,0]=4 3233 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100000183359_100020610796 [0,1,0,0,0,1|2,0,0]=4 3234 B10R0.82 CNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000183359 [0,1,0,0,0,1|2,0,0]=4 3235 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,1,0,0,0,1|1,0,1]=4 3236 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 3237 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 3238 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 3239 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,1,0,0,0,1|2,0,0]=4 3240 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,1,0,0,0,1|0,0,0]=2 3241 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,1,0,0,0,1|0,0,0]=2 3242 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,1,0,0,0,1|0,0,0]=2 3243 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,1,0,0,0,1|0,0,0]=2 3244 B10R0.82 COC(=O)CCN(C)C(C)C 2230a_100000228967_200000210301 [0,1,0,0,0,1|1,0,1]=4 3245 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100000228967_200000210301 [0,1,0,0,0,1|1,0,1]=4 3246 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100025711912_100000210206 [0,1,0,0,0,1|1,0,1]=4 3247 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_200000211004_100000204255 [0,1,0,0,0,1|1,0,1]=4 3248 B10R0.82 COC(=O)CCN([13CH3])C(C)C 2230a_100000228967_200025704644 [0,1,0,0,0,1|1,0,1]=4 3249 B10R0.82 COC(=O)CCN([13CH3])C(C)C 269982a_100000228967_200025704644 [0,1,0,0,0,1|1,0,1]=4 3250 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,1,0,0,0,1|1,0,1]=4 3251 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,1|1,0,0]=3 3252 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,1,0,0,0,1|1,0,0]=3 3253 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,1,0,0,0,1|1,0,0]=3 3254 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,1,0,0,0,1|0,0,0]=2 3255 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,1,0,0,0,1|1,0,1]=4 3256 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,1,0,0,0,1|1,0,0]=3 3257 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,1,0,0,0,1|1,0,0]=3 3258 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,1,0,0,0,1|1,0,0]=3 3259 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,1,0,0,0,1|0,0,0]=2 3260 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,1,0,0,0,1|0,0,0]=2 3261 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,1,0,0,0,1|1,0,0]=3 3262 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,1,0,0,0,1|1,0,0]=3 3263 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100000747449_100009813875 [0,1,0,0,0,1|1,0,0]=3 3264 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100009813875_100000747449 [0,1,0,0,0,1|1,0,0]=3 3265 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100000747449_100020610796 [0,1,0,0,0,1|1,0,0]=3 3266 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747449 [0,1,0,0,0,1|1,0,0]=3 3267 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,1,0,0,0,1|1,0,1]=4 3268 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,1,0,0,0,1|2,0,0]=4 3269 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,1,0,0,0,1|1,0,0]=3 3270 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [0,1,0,0,0,1|2,0,0]=4 3271 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,1,0,0,0,1|1,0,0]=3 3272 B10R0.98 C=C(C)C(=O)CCNC(=O)N 1458a_100000185857_200000034859 [0,1,0,0,0,1|2,0,0]=4 3273 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,1,0,0,0,1|1,0,0]=3 3274 B10R0.98 C=C(C)C(=O)CCOC(=O)N 1458a_100000185857_200011214921 [0,1,0,0,0,1|2,0,0]=4 3275 B10R0.98 C=C(C)C(=O)NCCC(=O)N 11a_100000740010_100000185857 [0,1,0,0,0,1|2,0,0]=4 3276 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,1,0,0,0,1|1,0,0]=3 3277 B10R0.98 C=C(C)CNCC(=O)N(C)C 2230a_100015183351_100000748629 [0,1,0,0,0,1|2,0,0]=4 3278 B10R0.98 C=C(C)COCC(=O)C(=O)C 34a_100000210245_100011261029 [0,1,0,0,0,1|2,0,0]=4 3279 B10R0.98 C=C(C)COCC(=O)C(C)C 34a_100000210245_100000753385 [0,1,0,0,0,1|2,0,0]=4 3280 B10R0.98 C=C(C)COCC(=O)N(C)C 34a_100000210245_100000692301 [0,1,0,0,0,1|2,0,0]=4 3281 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,1,0,0,0,1|2,0,0]=4 3282 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,1,0,0,0,1|2,0,0]=4 3283 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000748629_100000753385 [0,1,0,0,0,1|2,0,0]=4 3284 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000753385_100000211660 [0,1,0,0,0,1|2,0,0]=4 3285 B10R0.98 C=C(C)CSCC(=O)N(C)C 62a_100000692301_100000211660 [0,1,0,0,0,1|2,0,0]=4 3286 B10R0.98 C=C(C)CSCC(=O)N(C)C 62a_100000748629_100000692301 [0,1,0,0,0,1|2,0,0]=4 3287 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,1,0,0,0,1|2,0,0]=4 3288 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [0,1,0,0,0,1|2,0,0]=4 3289 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,1,0,0,0,1|2,0,0]=4 3290 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,1,0,0,0,1|2,0,0]=4 3291 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,1,0,0,0,1|2,0,0]=4 3292 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,1,0,0,0,1|2,0,0]=4 3293 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,1,0,0,0,1|2,0,0]=4 3294 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100011261029_100020667443 [0,1,0,0,0,1|2,0,0]=4 3295 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011261029 [0,1,0,0,0,1|2,0,0]=4 3296 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,1|1,0,0]=3 3297 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,0,0,0,1|1,0,0]=3 3298 B10R0.98 CC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215641 [0,1,0,0,0,1|2,0,0]=4 3299 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,1,0,0,0,1|1,0,0]=3 3300 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,1|1,0,0]=3 3301 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,1|1,0,0]=3 3302 B10R0.98 CC(=O)COCC(=O)C(=O)C 34a_100000211253_100011261029 [0,1,0,0,0,1|1,0,0]=3 3303 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,1,0,0,0,1|1,0,0]=3 3304 B10R0.98 CC(=O)COCC(=O)N(C)C 34a_100000211253_100000692301 [0,1,0,0,0,1|1,0,0]=3 3305 B10R0.98 CC(=O)CSCC(=O)N(C)C 1458a_100000150165_200000210301 [0,1,0,0,0,1|1,0,0]=3 3306 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,1,0,0,0,1|1,0,0]=3 3307 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,1,0,0,0,1|1,0,0]=3 3308 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [0,1,0,0,0,1|1,0,0]=3 3309 B10R0.98 CC(=O)NCCC(=O)C(O)O 1458a_100000233687_100000189650 [0,1,0,0,0,1|2,0,0]=4 3310 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100000738053_100015343762 [0,1,0,0,0,1|1,0,0]=3 3311 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100102631434_100000183196 [0,1,0,0,0,1|1,0,0]=3 3312 B10R0.98 CC(=O)NCCC(=O)N(C)C 1626a_100102631434_100000183196 [0,1,0,0,0,1|1,0,0]=3 3313 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100000738053_100015343762 [0,1,0,0,0,1|1,0,0]=3 3314 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100102631434_100000183196 [0,1,0,0,0,1|1,0,0]=3 3315 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100000738053_100103153847 [0,1,0,0,0,1|1,0,0]=3 3316 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100102631434_100000183196 [0,1,0,0,0,1|1,0,0]=3 3317 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,1,0,0,0,1|1,0,0]=3 3318 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,1,0,0,0,1|1,0,0]=3 3319 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,1,0,0,0,1|1,0,0]=3 3320 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,1,0,0,0,1|1,0,0]=3 3321 B10R0.98 CC(=O)OCCC(=O)C(O)O 1458a_100000233687_100009814007 [0,1,0,0,0,1|2,0,0]=4 3322 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,1,0,0,0,1|1,0,0]=3 3323 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,1,0,0,0,1|1,0,0]=3 3324 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,1,0,0,0,1|1,0,0]=3 3325 B10R0.98 CC(=O)SCCC(=O)N(C)C 1626a_100102631434_100000048949 [0,1,0,0,0,1|1,0,0]=3 3326 B10R0.98 CC(=O)SCCC(=O)N(C)C 240690a_100102631434_100000048949 [0,1,0,0,0,1|1,0,0]=3 3327 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,1,0,0,0,1|2,0,0]=4 3328 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000210206 [0,1,0,0,0,1|2,0,0]=4 3329 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000210198_200000034859 [0,1,0,0,0,1|2,0,0]=4 3330 B10R0.98 CC(C)C(=O)CCOC(=O)N 1458a_100000210198_200011214921 [0,1,0,0,0,1|2,0,0]=4 3331 B10R0.98 CC(C)C(=O)CNCC(=O)N 2230a_100000711301_100000753385 [0,1,0,0,0,1|2,0,0]=4 3332 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,1,0,0,0,1|2,0,0]=4 3333 B10R0.98 CC(C)C(=O)COCC(=O)N 1458a_100011219004_100000210206 [0,1,0,0,0,1|2,0,0]=4 3334 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000747473_100000753385 [0,1,0,0,0,1|2,0,0]=4 3335 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000753385_100000747473 [0,1,0,0,0,1|2,0,0]=4 3336 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100000753385_100020667443 [0,1,0,0,0,1|2,0,0]=4 3337 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000753385 [0,1,0,0,0,1|2,0,0]=4 3338 B10R0.98 CC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210198 [0,1,0,0,0,1|2,0,0]=4 3339 B10R0.98 CC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210198 [0,1,0,0,0,1|2,0,0]=4 3340 B10R0.98 CC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210198 [0,1,0,0,0,1|2,0,0]=4 3341 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,1,0,0,0,1|2,0,0]=4 3342 B10R0.98 CC(F)C(=O)CCNC(=O)N 1458a_100000062450_200000034859 [0,1,0,0,0,1|2,0,0]=4 3343 B10R0.98 CC(F)C(=O)CCOC(=O)N 1458a_100000062450_200011214921 [0,1,0,0,0,1|2,0,0]=4 3344 B10R0.98 CC(F)C(=O)NCCC(=O)N 11a_100000740010_100000062450 [0,1,0,0,0,1|2,0,0]=4 3345 B10R0.98 CC(F)C(=O)NCCC(=O)N 240690a_100000740010_100000062450 [0,1,0,0,0,1|2,0,0]=4 3346 B10R0.98 CC(F)C(=O)NCCC(=O)N 527a_100000740010_100000062450 [0,1,0,0,0,1|2,0,0]=4 3347 B10R0.98 CN(C)C(=O)CCNC(=O)N 240690a_100102631434_100000181464 [0,1,0,0,0,1|2,0,0]=4 3348 B10R0.98 CN(C)C(=O)CCNC(=O)N 527a_100102631434_100000181464 [0,1,0,0,0,1|2,0,0]=4 3349 B10R0.98 CN(C)C(=O)CNCC(=O)N 2230a_100000711301_100000185267 [0,1,0,0,0,1|2,0,0]=4 3350 B10R0.98 CN(C)C(=O)CNCC(=O)N 2230a_100015183351_100000747473 [0,1,0,0,0,1|2,0,0]=4 3351 B10R0.98 CN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000692301 [0,1,0,0,0,1|2,0,0]=4 3352 B10R0.98 CN(C)C(=O)COCC(=O)N 1626a_100102631434_100011219004 [0,1,0,0,0,1|2,0,0]=4 3353 B10R0.98 CN(C)C(=O)COCC(=O)N 240690a_100102631434_100011219004 [0,1,0,0,0,1|2,0,0]=4 3354 B10R0.98 CN(C)C(=O)COCC(=O)N 527a_100102631434_100011219004 [0,1,0,0,0,1|2,0,0]=4 3355 B10R0.98 CN(C)C(=O)CSCC(=O)N 11a_100102631434_100000150265 [0,1,0,0,0,1|2,0,0]=4 3356 B10R0.98 CN(C)C(=O)CSCC(=O)N 240690a_100102631434_100000150265 [0,1,0,0,0,1|2,0,0]=4 3357 B10R0.98 CN(C)C(=O)CSCC(=O)N 527a_100102631434_100000150265 [0,1,0,0,0,1|2,0,0]=4 3358 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000692301_100000747473 [0,1,0,0,0,1|2,0,0]=4 3359 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000747473_100000692301 [0,1,0,0,0,1|2,0,0]=4 3360 B10R0.98 CN(C)C(=O)CSCC(=O)[13CH3] 1458a_100000150165_200025704644 [0,1,0,0,0,1|1,0,0]=3 3361 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100000692301_100020667443 [0,1,0,0,0,1|2,0,0]=4 3362 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000692301 [0,1,0,0,0,1|2,0,0]=4 3363 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,1,0,0,0,1|2,0,0]=4 3364 B10R0.98 C[C@@H](O)C(=O)CCNC(=O)N 1458a_100000717761_200000034859 [0,1,0,0,0,1|2,0,0]=4 3365 B10R0.98 C[C@@H](O)C(=O)CCOC(=O)N 1458a_100000717761_200011214921 [0,1,0,0,0,1|2,0,0]=4 3366 B10R0.98 C[C@@H](O)C(=O)NCCC(=O)N 240690a_100000740010_100000717761 [0,1,0,0,0,1|2,0,0]=4 3367 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,1,0,0,0,1|2,0,0]=4 3368 B10R0.98 C[C@H](O)C(=O)CCNC(=O)N 1458a_217856618621_200000034859 [0,1,0,0,0,1|2,0,0]=4 3369 B10R0.98 C[C@H](O)C(=O)CCOC(=O)N 1458a_217856618621_200011214921 [0,1,0,0,0,1|2,0,0]=4 3370 B10R0.98 C[C@H](O)C(=O)NCCC(=O)N 240690a_100000740010_217856618621 [0,1,0,0,0,1|2,0,0]=4 3371 B10R0.12 C=C(C)CCC(=O)C(C)(C)C 1458a_106744555173_100000730704 [0,2,0,0,0,0|2,0,0]=4 3372 B10R0.12 C=C(C)CCC(=O)C(C)(C)F 1458a_100000765255_100000730704 [0,2,0,0,0,0|2,0,0]=4 3373 B10R0.12 C=C(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000730704 [0,2,0,0,0,0|2,0,0]=4 3374 B10R0.12 CC(=O)CNC(=O)C(C)(C)C 1458a_100000194581_200000210301 [0,2,0,0,0,0|2,0,0]=4 3375 B10R0.12 CC(=O)COC(=O)C(C)(C)C 1458a_100000070787_100000032063 [0,2,0,0,0,0|2,0,0]=4 3376 B10R0.12 CC(C)(C)C(=O)NCC(=O)[13CH3] 1458a_100000194581_200025704644 [0,2,0,0,0,0|2,0,0]=4 3377 B10R0.13 C=C(C)C(=O)C(C)OC(=O)C 1458a_100000185857_100009818208 [0,2,0,0,0,0|2,0,0]=4 3378 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 11a_100000697320_100015343762 [0,2,0,0,0,0|2,0,0]=4 3379 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 240690a_100000697320_100015343762 [0,2,0,0,0,0|2,0,0]=4 3380 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 527a_100000697320_100103153847 [0,2,0,0,0,0|2,0,0]=4 3381 B10R0.13 CC(=O)N[C@H](C)C(=O)C(C)C 1458a_100011504603_100000210206 [0,2,0,0,0,0|2,0,0]=4 3382 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 11a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 3383 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 1626a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 3384 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 240690a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 3385 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 527a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 3386 B10R0.13 CC(=O)OC(C)C(=O)C(C)C 1458a_100000210198_100009818208 [0,2,0,0,0,0|2,0,0]=4 3387 B10R0.13 CC(=O)OC(C)C(=O)C(C)F 1458a_100000062450_100009818208 [0,2,0,0,0,0|2,0,0]=4 3388 B10R0.13 CC(=O)OC(C)C(=O)[C@@H](C)O 1458a_100000717761_100009818208 [0,2,0,0,0,0|2,0,0]=4 3389 B10R0.13 CC(=O)OC(C)C(=O)[C@H](C)O 1458a_217856618621_100009818208 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.13 CC(=O)O[C@@H](C)C(=O)C(C)C 1458a_100009816467_100000210206 [0,2,0,0,0,0|2,0,0]=4 3391 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 11a_100102631434_100009816467 [0,2,0,0,0,0|2,0,0]=4 3392 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 1626a_100102631434_100009816467 [0,2,0,0,0,0|2,0,0]=4 3393 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 240690a_100102631434_100009816467 [0,2,0,0,0,0|2,0,0]=4 3394 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 527a_100102631434_100009816467 [0,2,0,0,0,0|2,0,0]=4 3395 B10R0.92 C=C(C)C(=O)CCS(=O)(=O)C 1458a_100000185857_100000731031 [0,2,0,0,0,0|2,0,0]=4 3396 B10R0.92 CC(C)C(=O)CCS(=O)(=O)C 1458a_100000210198_100000731031 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.92 CC(C)C(=O)CCS(=O)(=O)C 1458a_100000737124_100000210206 [0,2,0,0,0,0|2,0,0]=4 3398 B10R0.92 CC(F)C(=O)CCS(=O)(=O)C 1458a_100000062450_100000731031 [0,2,0,0,0,0|2,0,0]=4 3399 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 11a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 3400 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 1626a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 3401 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 240690a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 3402 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 527a_100102631434_100000737124 [0,2,0,0,0,0|2,0,0]=4 3403 B10R0.92 C[C@@H](O)C(=O)CCS(=O)(=O)C 1458a_100000717761_100000731031 [0,2,0,0,0,0|2,0,0]=4 3404 B10R0.92 C[C@H](O)C(=O)CCS(=O)(=O)C 1458a_217856618621_100000731031 [0,2,0,0,0,0|2,0,0]=4 3405 B10R0.93 C=C(C)C(=O)CC(=O)C(=O)C 1458a_100000185857_100011261029 [0,2,0,0,0,0|1,0,1]=4 3406 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,2,0,0,0,0|1,0,1]=4 3407 B10R0.93 CC(=O)C(=O)CC(=O)C(C)F 1458a_100000062450_100011261029 [0,2,0,0,0,0|1,0,1]=4 3408 B10R0.93 CC(=O)C(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011261029 [0,2,0,0,0,0|1,0,1]=4 3409 B10R0.93 CC(=O)C(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011261029 [0,2,0,0,0,0|1,0,1]=4 3410 B10R0.93 CC(=O)N(C)CC(=O)C(C)C 1458a_100000194957_100000210206 [0,2,0,0,0,0|2,0,0]=4 3411 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 11a_100000185065_100015343762 [0,2,0,0,0,0|2,0,0]=4 3412 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 11a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 3413 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 1626a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 3414 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 240690a_100000185065_100015343762 [0,2,0,0,0,0|2,0,0]=4 3415 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 240690a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 3416 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 527a_100000185065_100103153847 [0,2,0,0,0,0|2,0,0]=4 3417 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 527a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 3418 B10R0.52 COC(=O)CN(C)S(=O)(=O)C 40a_100000198492_100000738038 [0,2,0,0,0,0|2,0,0]=4 3419 B10R0.109 CC#CC(=O)CCS(=O)(=O)C 1458a_100000763181_100000731031 [0,2,0,0,0,0|2,0,0]=4 3420 B10R0.109 CC=CC(=O)CCS(=O)(=O)C 1458a_100000210699_100000731031 [0,2,0,0,0,0|2,0,0]=4 3421 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,2,0,0,0,0|2,0,0]=4 3422 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,2,0,0,0,0|2,0,0]=4 3423 B10R0.109 CCNC(=O)CCS(=O)(=O)C 11a_100015525214_100000737124 [0,2,0,0,0,0|2,0,0]=4 3424 B10R0.109 CCNC(=O)CCS(=O)(=O)C 240690a_100015525214_100000737124 [0,2,0,0,0,0|2,0,0]=4 3425 B10R0.109 CCNC(=O)CCS(=O)(=O)C 527a_100015525214_100000737124 [0,2,0,0,0,0|2,0,0]=4 3426 B10R0.109 CNCC(=O)CCS(=O)(=O)C 2230a_106832991635_100103131435 [0,2,0,0,0,0|2,0,0]=4 3427 B10R0.109 CNCC(=O)CCS(=O)(=O)C 34a_100102657272_100103131435 [0,2,0,0,0,0|2,0,0]=4 3428 B10R0.109 CNCC(=O)CCS(=O)(=O)C 7a_106832991635_100103131435 [0,2,0,0,0,0|2,0,0]=4 3429 B10R0.109 CNNC(=O)CCS(=O)(=O)C 22a_100016993582_100000737124 [0,2,0,0,0,0|2,0,0]=4 3430 B10R0.109 COCC(=O)CCC(C)(C)C 1458a_100000210968_100000755188 [0,2,0,0,0,0|1,0,1]=4 3431 B10R0.109 COCC(=O)CCS(=O)(=O)C 1458a_100000210968_100000731031 [0,2,0,0,0,0|1,0,0]=3 3432 B10R0.109 COCC(=O)CCS(=O)(=O)C 34a_100138415774_100103131435 [0,2,0,0,0,0|1,0,0]=3 3433 B10R0.109 COCC(=O)CCS(=O)(=O)[O-] 1458a_100000210968_100000762736 [0,2,0,0,0,0|2,0,0]=4 3434 B10R0.109 COCC(=O)CC[N+](C)(C)C 1458a_100000210968_100000085578 [0,2,0,0,0,0|2,0,0]=4 3435 B10R0.109 COCC(=O)CC[Si](C)(C)C 1458a_100000210968_200000733723 [0,2,0,0,0,0|1,1,0]=4 3436 B10R0.109 CS(=O)(=O)CCC(=O)CCF 1458a_100000737124_100011217306 [0,2,0,0,0,0|2,0,0]=4 3437 B10R0.109 CS(=O)(=O)CCC(=O)CCO 1458a_100000737124_100000211926 [0,2,0,0,0,0|2,0,0]=4 3438 B10R0.109 CS(=O)(=O)CCC(=O)CCO 1458a_100011216618_100000731031 [0,2,0,0,0,0|2,0,0]=4 3439 B10R0.109 CS(=O)(=O)CCC(=O)CS[13CH3] 62a_100103131435_200025704644 [0,2,0,0,0,0|1,1,0]=4 3440 B10R0.109 CS(=O)(=O)CCC(=O)CS[13CH3] 62a_200025704644_100103131435 [0,2,0,0,0,0|1,1,0]=4 3441 B10R0.109 CSCC(=O)CCS(=O)(=O)C 1458a_100000184570_100000731031 [0,2,0,0,0,0|1,1,0]=4 3442 B10R0.109 CSCC(=O)CCS(=O)(=O)C 62a_100103131435_200000210301 [0,2,0,0,0,0|1,1,0]=4 3443 B10R0.109 CSCC(=O)CCS(=O)(=O)C 62a_200000210301_100103131435 [0,2,0,0,0,0|1,1,0]=4 3444 B10R0.115 CCC(=O)CCS(=O)(=O)CC 1458a_100000210414_100000756660 [0,2,0,0,0,0|2,0,0]=4 3445 B10R0.115 CCS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000756660 [0,2,0,0,0,0|2,0,0]=4 3446 B10R0.115 CNS(=O)(=O)CCC(=O)OC 270084a_100102657272_100000205946 [0,2,0,0,0,0|1,0,0]=3 3447 B10R0.115 CNS(=O)(=O)CCC(=O)OC 274078a_100102657272_100000205946 [0,2,0,0,0,0|1,0,0]=3 3448 B10R0.32 C=C(C)CN(C)C(=O)COC 11a_100000225649_100000210968 [0,2,0,0,0,0|2,0,0]=4 3449 B10R0.32 C=C(C)CN(C)C(=O)COC 1626a_100000225649_100000210968 [0,2,0,0,0,0|2,0,0]=4 3450 B10R0.32 C=C(C)CN(C)C(=O)COC 527a_100000225649_100000210968 [0,2,0,0,0,0|2,0,0]=4 3451 B10R0.32 CC#CC(=O)C(C)OC(=O)C 1458a_100000763181_100009818208 [0,2,0,0,0,0|2,0,0]=4 3452 B10R0.32 CC(=O)N[C@H](C)C(=O)CCF 1458a_100011504603_100011217306 [0,2,0,0,0,0|2,0,0]=4 3453 B10R0.32 CC(=O)N[C@H](C)C(=O)CCO 1458a_100011504603_100000211926 [0,2,0,0,0,0|2,0,0]=4 3454 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,2,0,0,0,0|2,0,0]=4 3455 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCF 1458a_100009816467_100011217306 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,2,0,0,0,0|2,0,0]=4 3458 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,2,0,0,0,0|2,0,0]=4 3459 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,2,0,0,0,0|2,0,0]=4 3460 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,2,0,0,0,0|2,0,0]=4 3461 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,2,0,0,0,0|2,0,0]=4 3462 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,2,0,0,0,0|2,0,0]=4 3463 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,2,0,0,0,0|2,0,0]=4 3464 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,2,0,0,0,0|2,0,0]=4 3465 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,2,0,0,0,0|2,0,0]=4 3466 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,2,0,0,0,0|2,0,0]=4 3467 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,2,0,0,0,0|2,0,0]=4 3468 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,2,0,0,0,0|2,0,0]=4 3469 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,2,0,0,0,0|2,0,0]=4 3470 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,2,0,0,0,0|2,0,0]=4 3471 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,2,0,0,0,0|1,0,0]=3 3472 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,2,0,0,0,0|1,1,0]=4 3473 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,2,0,0,0,0|1,1,0]=4 3474 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,2,0,0,0,0|1,1,0]=4 3475 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,2,0,0,0,0|1,1,0]=4 3476 B10R0.32 CNNC(=O)[C@@H](C)NC(=O)C 22a_100016993582_100011504603 [0,2,0,0,0,0|2,0,0]=4 3477 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,2,0,0,0,0|1,0,1]=4 3478 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,2,0,0,0,0|1,0,0]=3 3479 B10R0.32 COCC(=O)N(C)CC(=O)N 11a_100000739694_100000210968 [0,2,0,0,0,0|2,0,0]=4 3480 B10R0.32 COCC(=O)N(C)CC(=O)N 527a_100000739694_100000210968 [0,2,0,0,0,0|2,0,0]=4 3481 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,2,0,0,0,0|1,1,0]=4 3482 B10R0.46 C/C=C(\C)/C(=O)CC(=O)OC 1458a_100020587367_100000747449 [0,2,0,0,0,0|1,0,1]=4 3483 B10R0.46 C=C(CC(=O)OC)C(=O)NC 1626a_100102657272_100000040833 [0,2,0,0,0,0|0,0,1]=3 3484 B10R0.46 C=CC(=O)N(C)CC(=O)OC 1626a_100000198492_100000185746 [0,2,0,0,0,0|1,0,1]=4 3485 B10R0.46 C=CC(=O)N(C)CC(=O)OC 240690a_100000198492_200121576911 [0,2,0,0,0,0|1,0,1]=4 3486 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|0,0,0]=2 3487 B10R0.46 CCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747405 [0,2,0,0,0,0|1,0,1]=4 3488 B10R0.46 CCC(=O)N(C)CC(=O)NC 11a_100000189611_100000210414 [0,2,0,0,0,0|2,0,0]=4 3489 B10R0.46 CCC(=O)N(C)CC(=O)NC 240690a_100000189611_100000210414 [0,2,0,0,0,0|2,0,0]=4 3490 B10R0.46 CCC(=O)N(C)CC(=O)NC 527a_100000189611_100000210414 [0,2,0,0,0,0|2,0,0]=4 3491 B10R0.46 CCC(=O)N(C)CC(=O)OC 11a_100000198492_100000210414 [0,2,0,0,0,0|1,0,0]=3 3492 B10R0.46 CCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000210414 [0,2,0,0,0,0|1,0,0]=3 3493 B10R0.46 CCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000210414 [0,2,0,0,0,0|1,0,0]=3 3494 B10R0.46 CCC(=O)N(C)CC(=O)OC 527a_100000198492_100000210414 [0,2,0,0,0,0|1,0,0]=3 3495 B10R0.46 CCC(=O)NC(C)C(=O)CC 1458a_100000194823_100000210202 [0,2,0,0,0,0|2,0,0]=4 3496 B10R0.46 CCC(=O)NC(C)C(=O)CF 1458a_100000194823_100015361967 [0,2,0,0,0,0|2,0,0]=4 3497 B10R0.46 CCC(=O)NC(C)C(=O)NC 11a_106832991635_100000194823 [0,2,0,0,0,0|2,0,0]=4 3498 B10R0.46 CCC(=O)NC(C)C(=O)NC 1626a_100102657272_100000194823 [0,2,0,0,0,0|2,0,0]=4 3499 B10R0.46 CCC(=O)NC(C)C(=O)NC 240690a_100102657272_100000194823 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.46 CCC(=O)NC(C)C(=O)NC 527a_100102657272_100000194823 [0,2,0,0,0,0|2,0,0]=4 3501 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 11a_100000684985_100000210414 [0,2,0,0,0,0|2,0,0]=4 3502 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_100000210414 [0,2,0,0,0,0|2,0,0]=4 3503 B10R0.46 CCC(=O)N[C@H](C)C(=O)NC 527a_100000684985_100000210414 [0,2,0,0,0,0|2,0,0]=4 3504 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,2,0,0,0,0|1,0,0]=3 3505 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 3506 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 3507 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|2,0,0]=4 3508 B10R0.46 CNC(=O)C(=O)CC(=O)OC 1458a_100011218921_100000747449 [0,2,0,0,0,0|0,0,1]=3 3509 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,2,0,0,0,0|0,0,0]=2 3510 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,2,0,0,0,0|0,0,0]=2 3511 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,2,0,0,0,0|0,0,0]=2 3512 B10R0.46 CNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183359 [0,2,0,0,0,0|1,0,1]=4 3513 B10R0.46 CNC(=O)CN(C)C(=O)CO 240690a_100000189611_100000210174 [0,2,0,0,0,0|2,0,0]=4 3514 B10R0.46 CNC(=O)CN(C)C(=O)CO 527a_100000189611_100000210174 [0,2,0,0,0,0|2,0,0]=4 3515 B10R0.46 CNC(=O)CN(C)C(=O)NC 2708a_100102657272_100000189611 [0,2,0,0,0,0|2,0,0]=4 3516 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 2708a_100102657272_100000684985 [0,2,0,0,0,0|2,0,0]=4 3517 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 273464a_100000684985_100102657272 [0,2,0,0,0,0|2,0,0]=4 3518 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_100000684985_100102657272 [0,2,0,0,0,0|2,0,0]=4 3519 B10R0.46 CNC(=O)N[C@H](C)C(=O)NC 512a_106832991638_100000684985 [0,2,0,0,0,0|2,0,0]=4 3520 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 240690a_100000684985_100000210174 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.46 CNC(=O)[C@@H](C)NC(=O)CO 527a_100000684985_100000210174 [0,2,0,0,0,0|2,0,0]=4 3522 B10R0.46 COC(=O)CC(C)C(=O)CF 1458a_100000037256_100015361967 [0,2,0,0,0,0|0,0,0]=2 3523 B10R0.46 COC(=O)CN(C)C(=O)CO 240690a_100000198492_100000210174 [0,2,0,0,0,0|1,0,0]=3 3524 B10R0.46 COC(=O)CN(C)C(=O)CO 527a_100000198492_100000210174 [0,2,0,0,0,0|1,0,0]=3 3525 B10R0.46 COC(=O)[C@@H](C)NC(=O)CO 188690a_100000687819_100000210174 [0,2,0,0,0,0|1,0,0]=3 3526 B10R0.54 CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210202 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.54 CCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210202 [0,2,0,0,0,0|2,0,0]=4 3528 B10R0.54 CCC(NC(=O)C)C(=O)NC 11a_106832991635_100000195128 [0,2,0,0,0,0|2,0,0]=4 3529 B10R0.54 CCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000195128 [0,2,0,0,0,0|2,0,0]=4 3530 B10R0.54 CCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000195128 [0,2,0,0,0,0|2,0,0]=4 3531 B10R0.54 CCC(NC(=O)C)C(=O)NC 527a_100102657272_100000195128 [0,2,0,0,0,0|2,0,0]=4 3532 B10R0.54 CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020627782_100015343762 [0,2,0,0,0,0|1,0,0]=3 3533 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 11a_106657271573_100015343762 [0,2,0,0,0,0|2,0,0]=4 3534 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 1626a_106657271573_100015343762 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 240690a_106657271573_100015343762 [0,2,0,0,0,0|2,0,0]=4 3536 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 527a_106657271573_100103153847 [0,2,0,0,0,0|2,0,0]=4 3537 B10R0.54 CNC(=O)C(CO)NC(=O)C 240690a_100102657272_200011194110 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 34a_100014169393_200000210301 [0,2,0,0,0,0|1,0,1]=4 3539 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 7a_100014169393_200000210301 [0,2,0,0,0,0|1,0,1]=4 3540 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 34a_100014169393_200025704644 [0,2,0,0,0,0|1,0,1]=4 3541 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 7a_100014169393_200025704644 [0,2,0,0,0,0|1,0,1]=4 3542 B10R0.54 COC(=O)[C@@H](CO)NC(=O)C 188690a_100000003586_100015343762 [0,2,0,0,0,0|1,0,0]=3 3543 B10R0.56 C=C(C)C(=O)C(C)C(=O)OC 1458a_100000185857_100000211248 [0,2,0,0,0,0|1,0,1]=4 3544 B10R0.56 CNC(=O)C(=O)C(C)C(=O)C 1458a_100011218921_100000179758 [0,2,0,0,0,0|1,0,1]=4 3545 B10R0.56 COC(=O)C(C)N(C)C(=O)C 11a_100000725243_100015343762 [0,2,0,0,0,0|1,0,0]=3 3546 B10R0.56 COC(=O)C(C)N(C)C(=O)C 240690a_100000725243_100015343762 [0,2,0,0,0,0|1,0,0]=3 3547 B10R0.56 COC(=O)C(C)N(C)C(=O)C 527a_100000725243_100103153847 [0,2,0,0,0,0|1,0,0]=3 3548 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)C 1458a_200021015837_200000210301 [0,2,0,0,0,0|1,0,0]=3 3549 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)[13CH3] 1458a_200021015837_200025704644 [0,2,0,0,0,0|1,0,0]=3 3550 B10R0.141 CCC(=O)C(C)(C)NC(=O)C 1458a_100000750020_100000210202 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.141 CCC(=O)C(C)(C)OC(=O)C 1458a_200000137501_100000210202 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 11a_106832991635_100000750020 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 240690a_100102657272_100000750020 [0,2,0,0,0,0|2,0,0]=4 3554 B10R0.141 CNC(=O)C(C)(C)NC(=O)C 527a_100102657272_100000750020 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 1626a_100102657272_200000137501 [0,2,0,0,0,0|2,0,0]=4 3556 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 240690a_100102657272_200000137501 [0,2,0,0,0,0|2,0,0]=4 3557 B10R0.141 CNC(=O)C(C)(C)OC(=O)C 527a_100102657272_200000137501 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.141 COC(=O)C(C)(C)CC(=O)C 1458a_100000106591_200000210301 [0,2,0,0,0,0|0,0,0]=2 3559 B10R0.141 COC(=O)C(C)(C)CC(=O)[13CH3] 1458a_100000106591_200025704644 [0,2,0,0,0,0|0,0,0]=2 3560 B10R0.141 COC(=O)C(C)(C)NC(=O)C 188690a_100000737553_100015343762 [0,2,0,0,0,0|1,0,0]=3 3561 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,2,0,0,0,0|0,0,2]=4 3562 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,2,0,0,0,0|0,0,2]=4 3563 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000229097_100000210202 [0,2,0,0,0,0|2,0,0]=4 3564 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 3565 B10R0.45 CCN(CC)CCC(=O)OC 269956a_100000042499_100000204255 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000229097_100000204670 [0,2,0,0,0,0|2,0,0]=4 3567 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 3568 B10R0.45 CCN(CF)CCC(=O)OC 269982a_100000229097_100015361967 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.45 CNC(=O)CCC(OC)OC 11a_106832991635_200000082759 [0,2,0,0,0,0|0,0,2]=4 3570 B10R0.45 CNC(=O)CCC(OC)OC 1626a_100102657272_200000082759 [0,2,0,0,0,0|0,0,2]=4 3571 B10R0.45 CNC(=O)CCC(OC)OC 240690a_100102657272_200000082759 [0,2,0,0,0,0|0,0,2]=4 3572 B10R0.45 CNC(=O)CCC(OC)OC 527a_100102657272_200000082759 [0,2,0,0,0,0|0,0,2]=4 3573 B10R0.45 COC(CCC(=O)CF)OC 1458a_200000082759_100015361967 [0,2,0,0,0,0|0,0,2]=4 3574 B10R0.45 COC(CCC(=O)CO)OC 1458a_100000210174_100000139399 [0,2,0,0,0,0|0,0,2]=4 3575 B10R0.108 C#CCC(=O)CCC(=O)NC 1458a_100011309844_100000184674 [0,2,0,0,0,0|1,0,0]=3 3576 B10R0.108 C#CCC(=O)CCC(=O)OC 1458a_100000187943_100000184674 [0,2,0,0,0,0|0,0,0]=2 3577 B10R0.108 C#CCC(=O)CCS(=O)CC 1458a_100011387550_100000184674 [0,2,0,0,0,0|2,0,0]=4 3578 B10R0.108 C#CCC(=O)CNC(=O)CC 1458a_100000194589_100000184674 [0,2,0,0,0,0|2,0,0]=4 3579 B10R0.108 C#CCC(=O)CNC(=O)OC 1458a_100000215747_100000184674 [0,2,0,0,0,0|1,0,0]=3 3580 B10R0.108 C#CCC(=O)NCC(=O)NC 527a_100000693194_100011220946 [0,2,0,0,0,0|2,0,0]=4 3581 B10R0.108 C#CCC(=O)NCC(=O)OC 188690a_100000185156_100011220946 [0,2,0,0,0,0|1,0,0]=3 3582 B10R0.108 C#CCN(C)CCC(=O)OC 2230a_100000225692_100000204255 [0,2,0,0,0,0|2,0,0]=4 3583 B10R0.108 C#CCN(C)CCC(=O)OC 34a_100000225692_100000742370 [0,2,0,0,0,0|2,0,0]=4 3584 B10R0.108 C=CCC(=O)CCC(=O)NC 1458a_100011309844_100000210623 [0,2,0,0,0,0|1,0,0]=3 3585 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,2,0,0,0,0|0,0,0]=2 3586 B10R0.108 C=CCC(=O)CCS(=O)CC 1458a_100011387550_100000210623 [0,2,0,0,0,0|2,0,0]=4 3587 B10R0.108 C=CCC(=O)CNC(=O)CC 1458a_100000194589_100000210623 [0,2,0,0,0,0|2,0,0]=4 3588 B10R0.108 C=CCC(=O)CNC(=O)OC 1458a_100000215747_100000210623 [0,2,0,0,0,0|1,0,0]=3 3589 B10R0.108 C=CCC(=O)NCC(=O)NC 11a_100000693194_100000210193 [0,2,0,0,0,0|2,0,0]=4 3590 B10R0.108 C=CCC(=O)NCC(=O)NC 240690a_100000693194_100000210193 [0,2,0,0,0,0|2,0,0]=4 3591 B10R0.108 C=CCC(=O)NCC(=O)NC 527a_100000693194_100000210193 [0,2,0,0,0,0|2,0,0]=4 3592 B10R0.108 C=CCC(=O)NCC(=O)OC 188690a_100000185156_100000210193 [0,2,0,0,0,0|1,0,0]=3 3593 B10R0.108 C=CCN(C)CCC(=O)OC 2230a_100000225617_100000204255 [0,2,0,0,0,0|2,0,0]=4 3594 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100000225617_100000204255 [0,2,0,0,0,0|2,0,0]=4 3595 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100025711912_100000210623 [0,2,0,0,0,0|2,0,0]=4 3596 B10R0.108 CC=CC(=O)NCC(=O)NC 11a_100000693194_100000210699 [0,2,0,0,0,0|2,0,0]=4 3597 B10R0.108 CC=CC(=O)NCC(=O)NC 240690a_100000693194_100000210699 [0,2,0,0,0,0|2,0,0]=4 3598 B10R0.108 CC=CC(=O)NCC(=O)OC 188690a_100000185156_100000210699 [0,2,0,0,0,0|1,0,0]=3 3599 B10R0.108 CCC(=O)NCC(=O)CC#N 1458a_100000194589_100011214920 [0,2,0,0,0,0|2,0,0]=4 3600 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [0,2,0,0,0,0|2,0,0]=4 3601 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,2,0,0,0,0|2,0,0]=4 3602 B10R0.108 CCC(=O)NCC(=O)NNC 22a_100016993582_100000194589 [0,2,0,0,0,0|2,0,0]=4 3603 B10R0.108 CCC(=O)NNC(=O)COC 22a_100000183195_100000210968 [0,2,0,0,0,0|2,0,0]=4 3604 B10R0.108 CCC(=O)NNC(=O)COC 22a_100000216845_100000210414 [0,2,0,0,0,0|2,0,0]=4 3605 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,0]=3 3606 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|0,0,0]=2 3607 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|2,0,0]=4 3608 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,2,0,0,0,0|2,0,0]=4 3609 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|1,0,0]=3 3610 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,2,0,0,0,0|2,0,0]=4 3612 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,2,0,0,0,0|2,0,0]=4 3613 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|1,0,0]=3 3614 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,2,0,0,0,0|2,0,0]=4 3615 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,2,0,0,0,0|2,0,0]=4 3616 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|2,0,0]=4 3618 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|2,0,0]=4 3619 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|1,0,0]=3 3620 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,2,0,0,0,0|1,0,0]=3 3621 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,2,0,0,0,0|1,0,0]=3 3622 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,2,0,0,0,0|1,0,0]=3 3623 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,2,0,0,0,0|1,0,0]=3 3624 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,2,0,0,0,0|1,0,0]=3 3625 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,2,0,0,0,0|1,0,0]=3 3626 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,2,0,0,0,0|1,0,0]=3 3627 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|0,0,0]=2 3628 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|0,0,0]=2 3629 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|0,0,0]=2 3630 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 3632 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 3633 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,2,0,0,0,0|2,0,0]=4 3635 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,2,0,0,0,0|2,0,0]=4 3636 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,2,0,0,0,0|2,0,0]=4 3637 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,2,0,0,0,0|2,0,0]=4 3638 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,2,0,0,0,0|2,0,0]=4 3639 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,2,0,0,0,0|2,0,0]=4 3640 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [0,2,0,0,0,0|2,0,0]=4 3641 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [0,2,0,0,0,0|2,0,0]=4 3642 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100016988866_106832991635 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100102657272_100016988866 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100016988866_100102657272 [0,2,0,0,0,0|2,0,0]=4 3645 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100102657272_100016988866 [0,2,0,0,0,0|2,0,0]=4 3646 B10R0.108 CCNC(=O)CNC(=O)NC 512a_100016988866_100102657272 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.108 CCNC(=O)CNC(=O)NC 512a_106832991638_100016988866 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,2,0,0,0,0|1,0,0]=3 3649 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,2,0,0,0,0|1,0,0]=3 3650 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,2,0,0,0,0|1,0,0]=3 3651 B10R0.108 CCNC(=O)NCC(=O)NC 2708a_100015525214_100000693194 [0,2,0,0,0,0|2,0,0]=4 3652 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100000693194_100015525214 [0,2,0,0,0,0|2,0,0]=4 3653 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100015525214_100000693194 [0,2,0,0,0,0|2,0,0]=4 3654 B10R0.108 CCNC(=O)NCC(=O)NC 512a_100015525214_100000693194 [0,2,0,0,0,0|2,0,0]=4 3655 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,2,0,0,0,0|0,0,2]=4 3656 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,2,0,0,0,0|0,0,2]=4 3657 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,2,0,0,0,0|0,0,2]=4 3658 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,2,0,0,0,0|0,0,2]=4 3659 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|0,0,0]=2 3660 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,2,0,0,0,0|0,0,0]=2 3661 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|0,0,0]=2 3662 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|0,0,0]=2 3663 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|0,0,0]=2 3664 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|1,0,1]=4 3665 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|1,0,1]=4 3666 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|1,0,1]=4 3667 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|0,0,2]=4 3668 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|0,1,1]=4 3669 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|0,1,1]=4 3670 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|0,1,1]=4 3671 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|0,1,1]=4 3672 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 3673 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|2,0,0]=4 3674 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 3675 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 3676 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|2,0,0]=4 3677 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 3678 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,2,0,0,0,0|2,0,0]=4 3679 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 3680 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 3681 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,2,0,0,0,0|1,0,0]=3 3682 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,2,0,0,0,0|1,0,0]=3 3683 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|1,0,0]=3 3684 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,2,0,0,0,0|1,0,0]=3 3685 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,2,0,0,0,0|1,0,0]=3 3686 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,2,0,0,0,0|1,0,0]=3 3687 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,2,0,0,0,0|1,0,0]=3 3688 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,2,0,0,0,0|1,0,0]=3 3689 B10R0.108 CCS(=O)CCC(=O)CC#N 1458a_100011387550_100011214920 [0,2,0,0,0,0|2,0,0]=4 3690 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [0,2,0,0,0,0|2,0,0]=4 3691 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.108 CNC(=O)CCC(=O)CC#N 1458a_100011309844_100011214920 [0,2,0,0,0,0|1,0,0]=3 3693 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,2,0,0,0,0|1,0,0]=3 3694 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,2,0,0,0,0|1,0,0]=3 3695 B10R0.108 CNC(=O)CCN(C)CC=O 2230a_100000750875_200015260668 [0,2,0,0,0,0|2,0,0]=4 3696 B10R0.108 CNC(=O)CCN(C)CC=O 269982a_100000750875_200015260668 [0,2,0,0,0,0|2,0,0]=4 3697 B10R0.108 CNC(=O)CCN(C)COC 2230a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 3698 B10R0.108 CNC(=O)CCN(C)COC 269982a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.108 CNC(=O)CNC(=O)CC#N 240690a_100000693194_100051588842 [0,2,0,0,0,0|2,0,0]=4 3700 B10R0.108 CNC(=O)CNC(=O)CCO 240690a_100000693194_100011216618 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.108 CNC(=O)CNC(=O)COC 11a_100000693194_100000210968 [0,2,0,0,0,0|1,0,0]=3 3702 B10R0.108 CNC(=O)CNC(=O)COC 240690a_100000693194_100000210968 [0,2,0,0,0,0|1,0,0]=3 3703 B10R0.108 CNC(=O)CNC(=O)COC 527a_100000693194_100000210968 [0,2,0,0,0,0|1,0,0]=3 3704 B10R0.108 CNC(=O)CNC(=O)CSC 11a_100000693194_100000184570 [0,2,0,0,0,0|1,1,0]=4 3705 B10R0.108 CNC(=O)CNC(=O)CSC 240690a_100000693194_100000184570 [0,2,0,0,0,0|1,1,0]=4 3706 B10R0.108 CNC(=O)CNC(=O)CSC 527a_100000693194_100000184570 [0,2,0,0,0,0|1,1,0]=4 3707 B10R0.108 CNC(=O)NNC(=O)COC 273464a_100102657272_100000216845 [0,2,0,0,0,0|2,0,0]=4 3708 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|0,0,0]=2 3709 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|0,0,0]=2 3710 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|0,0,0]=2 3711 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,2,0,0,0,0|1,0,0]=3 3712 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,2,0,0,0,0|1,0,0]=3 3713 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,2,0,0,0,0|1,0,0]=3 3714 B10R0.108 CNNC(=O)C=CC(=O)OC 22a_100016993582_100016283253 [0,2,0,0,0,0|0,0,2]=4 3715 B10R0.108 CNNC(=O)CCC(=O)NC 22a_100016993582_100011309844 [0,2,0,0,0,0|1,0,0]=3 3716 B10R0.108 CNNC(=O)CNC(=O)OC 22a_100016993582_100000215747 [0,2,0,0,0,0|1,0,0]=3 3717 B10R0.108 CNNC(=O)NCC(=O)NC 273464a_100000693194_100016993582 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.108 CNNC(=O)NCC(=O)NC 512a_100016993582_100000693194 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.108 COC(=O)CCC(=O)CC#N 1458a_100000187943_100011214920 [0,2,0,0,0,0|0,0,0]=2 3720 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|0,0,0]=2 3721 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|0,0,0]=2 3722 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|0,0,0]=2 3723 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|0,0,0]=2 3724 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|0,0,0]=2 3725 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|0,0,0]=2 3726 B10R0.108 COC(=O)CCN(C)CC#N 2230a_100000748184_100000204255 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.108 COC(=O)CCN(C)CC#N 269982a_100025711912_100011214920 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.108 COC(=O)CCN(C)CC=O 269982a_100025711912_200015260668 [0,2,0,0,0,0|1,0,0]=3 3729 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|2,0,0]=4 3730 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|1,0,1]=4 3731 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|1,0,1]=4 3732 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|1,0,1]=4 3733 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|1,1,0]=4 3734 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,2,0,0,0,0|1,0,0]=3 3735 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,2,0,0,0,0|1,0,0]=3 3736 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,2,0,0,0,0|1,0,0]=3 3737 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,2,0,0,0,0|1,0,0]=3 3738 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,2,0,0,0,0|1,0,0]=3 3739 B10R0.108 COC(=O)NCC(=O)CC#N 1458a_100000215747_100011214920 [0,2,0,0,0,0|1,0,0]=3 3740 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,2,0,0,0,0|1,0,0]=3 3741 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,2,0,0,0,0|1,0,0]=3 3742 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|0,0,0]=2 3743 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,2,0,0,0,0|1,0,0]=3 3744 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,2,0,0,0,0|1,0,0]=3 3745 B10R0.108 COCC(=O)NNC(=O)CO 22a_100000216845_100000210174 [0,2,0,0,0,0|2,0,0]=4 3746 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,2,0,0,0,0|1,0,1]=4 3747 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,2,0,0,0,0|1,0,1]=4 3748 B10R0.26 CC#CC(=O)CC(=O)C(=O)C 1458a_100000763181_100011261029 [0,2,0,0,0,0|1,0,1]=4 3749 B10R0.26 CC(=O)C(=O)CC(=O)CCO 1458a_100011216618_100011261029 [0,2,0,0,0,0|1,0,1]=4 3750 B10R0.26 CC(=O)N(C)CC(=O)CCF 1458a_100000194957_100011217306 [0,2,0,0,0,0|2,0,0]=4 3751 B10R0.26 CC(=O)N(C)CC(=O)CCO 1458a_100000194957_100000211926 [0,2,0,0,0,0|2,0,0]=4 3752 B10R0.26 CC=CC(=O)CC(=O)C(=O)C 1458a_100000210699_100011261029 [0,2,0,0,0,0|1,0,1]=4 3753 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|1,0,1]=4 3754 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,2,0,0,0,0|2,0,0]=4 3756 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100000741943_100015343762 [0,2,0,0,0,0|2,0,0]=4 3758 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100015525214_100000194957 [0,2,0,0,0,0|2,0,0]=4 3759 B10R0.26 CCNC(=O)CN(C)C(=O)C 1626a_100000741943_100015343762 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100000741943_100015343762 [0,2,0,0,0,0|2,0,0]=4 3761 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100015525214_100000194957 [0,2,0,0,0,0|2,0,0]=4 3762 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100000741943_100103153847 [0,2,0,0,0,0|2,0,0]=4 3763 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100015525214_100000194957 [0,2,0,0,0,0|2,0,0]=4 3764 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|0,0,0]=2 3765 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,2,0,0,0,0|2,0,0]=4 3766 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,2,0,0,0,0|2,0,0]=4 3767 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,2,0,0,0,0|1,0,0]=3 3768 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,2,0,0,0,0|1,0,0]=3 3769 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,2,0,0,0,0|1,0,0]=3 3770 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,2,0,0,0,0|1,0,0]=3 3771 B10R0.26 CNNC(=O)CN(C)C(=O)C 22a_100016993582_100000194957 [0,2,0,0,0,0|2,0,0]=4 3772 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [0,2,0,0,0,0|0,0,1]=3 3773 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210968 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210968 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.26 COCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210968 [0,2,0,0,0,0|2,0,0]=4 3776 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [0,2,0,0,0,0|0,1,1]=4 3777 B10R0.47 COC(=O)CC(C)(C)C(=O)C 1458a_100000720384_200000210301 [0,2,0,0,0,0|0,0,0]=2 3778 B10R0.47 COC(=O)CC(C)(C)C(=O)[13CH3] 1458a_100000720384_200025704644 [0,2,0,0,0,0|0,0,0]=2 3779 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_100000692101_100000730704 [0,2,0,0,0,0|2,0,0]=4 3780 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_200000688413_100000753159 [0,2,0,0,0,0|2,0,0]=4 3781 B10R0.78 C#CCCC(=O)CCC(=O)N 1458a_100011215257_100000753159 [0,2,0,0,0,0|2,0,0]=4 3782 B10R0.78 C#CCCC(=O)CNC(=O)C 1458a_100000194580_100000753159 [0,2,0,0,0,0|2,0,0]=4 3783 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [0,2,0,0,0,0|2,0,0]=4 3784 B10R0.78 C#CCCC(=O)CSC(=O)C 1458a_100000049016_100000753159 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.78 C#CCNC(=O)CCC(=C)C 11a_100000212058_200000688413 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.78 C#CCNC(=O)CCC(=C)C 1626a_100000212058_200000688413 [0,2,0,0,0,0|2,0,0]=4 3787 B10R0.78 C#CCNC(=O)CCC(=C)C 240690a_100000212058_200000688413 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.78 C#CCNC(=O)CCC(=C)C 527a_100000212058_200000688413 [0,2,0,0,0,0|2,0,0]=4 3789 B10R0.78 C#CCNC(=O)CCC(=O)N 240690a_100000212058_100011215257 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.78 C#CCNC(=O)CCC(=O)N 527a_100000212058_100011215257 [0,2,0,0,0,0|2,0,0]=4 3791 B10R0.78 C#CCNC(=O)CNC(=O)C 11a_100000212058_100000194580 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.78 C#CCNC(=O)CNC(=O)C 11a_100000747989_100015343762 [0,2,0,0,0,0|2,0,0]=4 3793 B10R0.78 C#CCNC(=O)CNC(=O)C 1626a_100000212058_100000194580 [0,2,0,0,0,0|2,0,0]=4 3794 B10R0.78 C#CCNC(=O)CNC(=O)C 1626a_100000747989_100015343762 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.78 C#CCNC(=O)CNC(=O)C 240690a_100000212058_100000194580 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.78 C#CCNC(=O)CNC(=O)C 240690a_100000747989_100015343762 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.78 C#CCNC(=O)CNC(=O)C 527a_100000212058_100000194580 [0,2,0,0,0,0|2,0,0]=4 3798 B10R0.78 C#CCNC(=O)CNC(=O)C 527a_100000747989_100103153847 [0,2,0,0,0,0|2,0,0]=4 3799 B10R0.78 C#CCNC(=O)COC(=O)C 1626a_100000212058_100000183556 [0,2,0,0,0,0|2,0,0]=4 3800 B10R0.78 C#CCNC(=O)COC(=O)C 240690a_100000212058_100000183556 [0,2,0,0,0,0|2,0,0]=4 3801 B10R0.78 C#CCNC(=O)COC(=O)C 527a_100000212058_100000183556 [0,2,0,0,0,0|2,0,0]=4 3802 B10R0.78 C#CCNC(=O)CSC(=O)C 11a_100000212058_100000049016 [0,2,0,0,0,0|2,0,0]=4 3803 B10R0.78 C#CCNC(=O)CSC(=O)C 1626a_100000212058_100000049016 [0,2,0,0,0,0|2,0,0]=4 3804 B10R0.78 C#CCNC(=O)CSC(=O)C 240690a_100000212058_100000049016 [0,2,0,0,0,0|2,0,0]=4 3805 B10R0.78 C/C=C/CC(=O)CCC(=O)N 1458a_100011215257_100102629194 [0,2,0,0,0,0|2,0,0]=4 3806 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [0,2,0,0,0,0|2,0,0]=4 3807 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,2,0,0,0,0|2,0,0]=4 3808 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [0,2,0,0,0,0|2,0,0]=4 3809 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [0,2,0,0,0,0|2,0,0]=4 3810 B10R0.78 C=C(C)CCC(=O)C#CCO 1458a_100000049017_100000730704 [0,2,0,0,0,0|2,0,0]=4 3811 B10R0.78 C=C(C)CCC(=O)C/C=C/C 1458a_200000688413_100102629194 [0,2,0,0,0,0|2,0,0]=4 3812 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,2,0,0,0,0|2,0,0]=4 3813 B10R0.78 C=C(C)CCC(=O)C=COC 1458a_100016268678_100000730704 [0,2,0,0,0,0|1,0,0]=3 3814 B10R0.78 C=C(C)CCC(=O)CC#CC 1458a_200000688413_100000748600 [0,2,0,0,0,0|2,0,0]=4 3815 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_100121576822_100000730704 [0,2,0,0,0,0|2,0,0]=4 3816 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_200000688413_100000070051 [0,2,0,0,0,0|2,0,0]=4 3817 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_100011934036_100000730704 [0,2,0,0,0,0|2,0,0]=4 3818 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_200000688413_100011215226 [0,2,0,0,0,0|2,0,0]=4 3819 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|2,0,0]=4 3820 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|2,0,0]=4 3821 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,2,0,0,0,0|2,0,0]=4 3822 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,2,0,0,0,0|2,0,0]=4 3823 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,2,0,0,0,0|1,0,0]=3 3824 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,2,0,0,0,0|1,0,0]=3 3825 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,2,0,0,0,0|1,1,0]=4 3826 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,2,0,0,0,0|1,1,0]=4 3827 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,2,0,0,0,0|1,0,0]=3 3828 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,2,0,0,0,0|1,1,0]=4 3829 B10R0.78 C=C(C)CCC(=O)NCC#N 1626a_100000734998_200000688413 [0,2,0,0,0,0|2,0,0]=4 3830 B10R0.78 C=C(C)CCC(=O)NCC#N 527a_100000734998_200000688413 [0,2,0,0,0,0|2,0,0]=4 3831 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 3832 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 3833 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 3834 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,2,0,0,0,0|2,0,0]=4 3835 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 3836 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 3837 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 3838 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [0,2,0,0,0,0|2,0,0]=4 3839 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,2,0,0,0,0|2,0,0]=4 3840 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,2,0,0,0,0|2,0,0]=4 3841 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [0,2,0,0,0,0|2,0,0]=4 3842 B10R0.78 C=C(C)CNC(=O)C=COC 1626a_100000765925_100016268678 [0,2,0,0,0,0|2,0,0]=4 3843 B10R0.78 C=C(C)CNC(=O)C=COC 240690a_100000765925_100016268678 [0,2,0,0,0,0|2,0,0]=4 3844 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 3845 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 3846 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 3847 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,2,0,0,0,0|2,0,0]=4 3848 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 3849 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 3850 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 3851 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,2,0,0,0,0|2,0,0]=4 3852 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_100000749702_100000730704 [0,2,0,0,0,0|2,0,0]=4 3853 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_200000688413_100000754431 [0,2,0,0,0,0|2,0,0]=4 3854 B10R0.78 C=CCCC(=O)CCC(=O)N 1458a_100011215257_100000754431 [0,2,0,0,0,0|2,0,0]=4 3855 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [0,2,0,0,0,0|2,0,0]=4 3856 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,2,0,0,0,0|2,0,0]=4 3857 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [0,2,0,0,0,0|2,0,0]=4 3858 B10R0.78 C=CCNC(=O)CCC(=C)C 1626a_100020586998_200000688413 [0,2,0,0,0,0|2,0,0]=4 3859 B10R0.78 C=CCNC(=O)CCC(=C)C 240690a_100020586998_200000688413 [0,2,0,0,0,0|2,0,0]=4 3860 B10R0.78 C=CCNC(=O)CCC(=C)C 527a_100020586998_200000688413 [0,2,0,0,0,0|2,0,0]=4 3861 B10R0.78 C=CCNC(=O)CCC(=O)N 240690a_100020586998_100011215257 [0,2,0,0,0,0|2,0,0]=4 3862 B10R0.78 C=CCNC(=O)CCC(=O)N 527a_100020586998_100011215257 [0,2,0,0,0,0|2,0,0]=4 3863 B10R0.78 C=CCNC(=O)CNC(=O)C 1626a_100020586998_100000194580 [0,2,0,0,0,0|2,0,0]=4 3864 B10R0.78 C=CCNC(=O)CNC(=O)C 240690a_100020586998_100000194580 [0,2,0,0,0,0|2,0,0]=4 3865 B10R0.78 C=CCNC(=O)CNC(=O)C 527a_100020586998_100000194580 [0,2,0,0,0,0|2,0,0]=4 3866 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,2,0,0,0,0|2,0,0]=4 3867 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,2,0,0,0,0|2,0,0]=4 3868 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.78 C=CCNC(=O)CSC(=O)C 1626a_100020586998_100000049016 [0,2,0,0,0,0|2,0,0]=4 3870 B10R0.78 C=CCNC(=O)CSC(=O)C 240690a_100020586998_100000049016 [0,2,0,0,0,0|2,0,0]=4 3871 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [0,2,0,0,0,0|1,0,0]=3 3872 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [0,2,0,0,0,0|1,0,0]=3 3873 B10R0.78 CC#CCC(=O)CCC(=O)N 1458a_100011215257_100000748600 [0,2,0,0,0,0|2,0,0]=4 3874 B10R0.78 CC#CCC(=O)CNC(=O)C 1458a_100000194580_100000748600 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.78 CC#CCC(=O)CSC(=O)C 1458a_100000049016_100000748600 [0,2,0,0,0,0|2,0,0]=4 3877 B10R0.78 CC(=O)NCC(=O)CCC#N 1458a_100000194580_100011215226 [0,2,0,0,0,0|2,0,0]=4 3878 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.78 CC(=O)NCC(=O)NCC#N 1626a_100000734998_100000194580 [0,2,0,0,0,0|2,0,0]=4 3881 B10R0.78 CC(=O)NCC(=O)NCC#N 527a_100000734998_100000194580 [0,2,0,0,0,0|2,0,0]=4 3882 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000724931_100000194580 [0,2,0,0,0,0|2,0,0]=4 3883 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000725713_100015343762 [0,2,0,0,0,0|2,0,0]=4 3884 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000724931_100000194580 [0,2,0,0,0,0|2,0,0]=4 3885 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000725713_100015343762 [0,2,0,0,0,0|2,0,0]=4 3886 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000724931_100000194580 [0,2,0,0,0,0|2,0,0]=4 3887 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000725713_100015343762 [0,2,0,0,0,0|2,0,0]=4 3888 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000724931_100000194580 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000725713_100103153847 [0,2,0,0,0,0|2,0,0]=4 3890 B10R0.78 CC(=O)NCC(=O)NCCO 240690a_100000210304_100000194580 [0,2,0,0,0,0|2,0,0]=4 3891 B10R0.78 CC(=O)NCC(=O)NCCO 527a_100000210304_100000194580 [0,2,0,0,0,0|2,0,0]=4 3892 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [0,2,0,0,0,0|2,0,0]=4 3893 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,2,0,0,0,0|2,0,0]=4 3894 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,2,0,0,0,0|2,0,0]=4 3895 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100000036994_100015361967 [0,2,0,0,0,0|1,1,0]=4 3896 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100015361967_100000036994 [0,2,0,0,0,0|1,1,0]=4 3897 B10R0.78 CC(=O)OCC(=O)NCC#N 1626a_100000734998_100000183556 [0,2,0,0,0,0|2,0,0]=4 3898 B10R0.78 CC(=O)OCC(=O)NCC#N 527a_100000734998_100000183556 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.78 CC(=O)OCC(=O)NCCF 1626a_100000724931_100000183556 [0,2,0,0,0,0|2,0,0]=4 3900 B10R0.78 CC(=O)OCC(=O)NCCF 240690a_100000724931_100000183556 [0,2,0,0,0,0|2,0,0]=4 3901 B10R0.78 CC(=O)OCC(=O)NCCF 527a_100000724931_100000183556 [0,2,0,0,0,0|2,0,0]=4 3902 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [0,2,0,0,0,0|2,0,0]=4 3903 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [0,2,0,0,0,0|2,0,0]=4 3904 B10R0.78 CC(=O)SCC(=O)CCC#N 1458a_100000049016_100011215226 [0,2,0,0,0,0|2,0,0]=4 3905 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,2,0,0,0,0|2,0,0]=4 3906 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,2,0,0,0,0|2,0,0]=4 3907 B10R0.78 CC(=O)SCC(=O)NCC#N 1626a_100000734998_100000049016 [0,2,0,0,0,0|2,0,0]=4 3908 B10R0.78 CC(=O)SCC(=O)NCCF 11a_100000724931_100000049016 [0,2,0,0,0,0|2,0,0]=4 3909 B10R0.78 CC(=O)SCC(=O)NCCF 1626a_100000724931_100000049016 [0,2,0,0,0,0|2,0,0]=4 3910 B10R0.78 CC(=O)SCC(=O)NCCF 240690a_100000724931_100000049016 [0,2,0,0,0,0|2,0,0]=4 3911 B10R0.78 CC(=O)SCC(=O)NCCO 240690a_100000210304_100000049016 [0,2,0,0,0,0|2,0,0]=4 3912 B10R0.78 CC=CCC(=O)CCC(=O)N 1458a_100011215257_100000070051 [0,2,0,0,0,0|2,0,0]=4 3913 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [0,2,0,0,0,0|2,0,0]=4 3914 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,2,0,0,0,0|2,0,0]=4 3915 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [0,2,0,0,0,0|2,0,0]=4 3916 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|2,0,0]=4 3917 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|2,0,0]=4 3918 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|2,0,0]=4 3919 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|2,0,0]=4 3920 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|1,0,0]=3 3921 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,2,0,0,0,0|2,0,0]=4 3922 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,2,0,0,0,0|2,0,0]=4 3923 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|1,0,0]=3 3924 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,2,0,0,0,0|2,0,0]=4 3925 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,2,0,0,0,0|2,0,0]=4 3926 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,2,0,0,0,0|2,0,0]=4 3927 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,2,0,0,0,0|2,0,0]=4 3928 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,2,0,0,0,0|2,0,0]=4 3929 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,2,0,0,0,0|2,0,0]=4 3930 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,2,0,0,0,0|2,0,0]=4 3931 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,2,0,0,0,0|2,0,0]=4 3932 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,2,0,0,0,0|2,0,0]=4 3933 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,2,0,0,0,0|2,0,0]=4 3934 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,2,0,0,0,0|2,0,0]=4 3935 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,2,0,0,0,0|2,0,0]=4 3936 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,2,0,0,0,0|2,0,0]=4 3937 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,2,0,0,0,0|2,0,0]=4 3938 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,2,0,0,0,0|1,0,0]=3 3939 B10R0.78 CCNNC(=O)CCC(=O)N 22a_100000756455_100011215257 [0,2,0,0,0,0|2,0,0]=4 3940 B10R0.78 CCNNC(=O)CNC(=O)C 22a_100000756455_100000194580 [0,2,0,0,0,0|2,0,0]=4 3941 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [0,2,0,0,0,0|2,0,0]=4 3942 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,2,0,0,0,0|1,0,1]=4 3943 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,2,0,0,0,0|1,0,1]=4 3944 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,2,0,0,0,0|0,0,2]=4 3945 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,2,0,0,0,0|1,0,0]=3 3946 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [0,2,0,0,0,0|2,0,0]=4 3947 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [0,2,0,0,0,0|2,0,0]=4 3948 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [0,2,0,0,0,0|2,0,0]=4 3949 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [0,2,0,0,0,0|2,0,0]=4 3950 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [0,2,0,0,0,0|2,0,0]=4 3951 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,2,0,0,0,0|1,1,0]=4 3952 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,2,0,0,0,0|1,1,0]=4 3953 B10R0.78 COC=CC(=O)CC=C(C)C 1458a_100016268678_100000761012 [0,2,0,0,0,0|1,0,1]=4 3954 B10R0.78 COC=CC(=O)CCC(C)C 1458a_100016268678_100000210312 [0,2,0,0,0,0|1,0,1]=4 3955 B10R0.78 COC=CC(=O)CCC(C)O 1458a_100016268678_100012276601 [0,2,0,0,0,0|0,0,2]=4 3956 B10R0.78 COC=CC(=O)NCC(=O)N 240690a_100000711301_100016268678 [0,2,0,0,0,0|2,0,0]=4 3957 B10R0.78 COC=CC(=O)NNC(=O)C 22a_100000189765_100016268678 [0,2,0,0,0,0|2,0,0]=4 3958 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,2,0,0,0,0|1,0,1]=4 3959 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,2,0,0,0,0|1,0,1]=4 3960 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,2,0,0,0,0|1,0,0]=3 3961 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,2,0,0,0,0|1,0,1]=4 3962 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,2,0,0,0,0|1,0,1]=4 3963 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,2,0,0,0,0|0,0,2]=4 3964 B10R0.78 COCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000233755 [0,2,0,0,0,0|2,0,0]=4 3965 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,2,0,0,0,0|2,0,0]=4 3966 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,2,0,0,0,0|1,0,0]=3 3967 B10R0.78 COCCC(=O)CNC(=O)N 1458a_100000184981_100000233755 [0,2,0,0,0,0|2,0,0]=4 3968 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|1,0,0]=3 3969 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,2,0,0,0,0|1,0,0]=3 3970 B10R0.78 COCCC(=O)NCC(=O)N 11a_100000711301_100000749529 [0,2,0,0,0,0|2,0,0]=4 3971 B10R0.78 COCCC(=O)NCC(=O)N 240690a_100000711301_100000749529 [0,2,0,0,0,0|2,0,0]=4 3972 B10R0.78 COCCC(=O)NCC(=O)N 527a_100000711301_100000749529 [0,2,0,0,0,0|2,0,0]=4 3973 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [0,2,0,0,0,0|2,0,0]=4 3974 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [0,2,0,0,0,0|2,0,0]=4 3975 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,2,0,0,0,0|2,0,0]=4 3976 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,2,0,0,0,0|2,0,0]=4 3977 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,2,0,0,0,0|2,0,0]=4 3978 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|1,1,0]=4 3979 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,2,0,0,0,0|1,1,0]=4 3980 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|1,1,0]=4 3981 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,2,0,0,0,0|1,1,0]=4 3982 B10R0.78 N#CCCC(=O)CCC(=O)N 1458a_100011215257_100011215226 [0,2,0,0,0,0|2,0,0]=4 3983 B10R0.78 N#CCNC(=O)CCC(=O)N 527a_100000734998_100011215257 [0,2,0,0,0,0|2,0,0]=4 3984 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,2,0,0,0,0|2,0,0]=4 3985 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,2,0,0,0,0|2,0,0]=4 3986 B10R0.78 NC(=O)CCC(=O)NCCF 240690a_100000724931_100011215257 [0,2,0,0,0,0|2,0,0]=4 3987 B10R0.78 NC(=O)CCC(=O)NCCF 527a_100000724931_100011215257 [0,2,0,0,0,0|2,0,0]=4 3988 B10R0.78 NC(=O)CCC(=O)NCCO 240690a_100000210304_100011215257 [0,2,0,0,0,0|2,0,0]=4 3989 B10R0.78 NC(=O)CCC(=O)NCCO 527a_100000210304_100011215257 [0,2,0,0,0,0|2,0,0]=4 3990 B10R0.96 C=C(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748629 [0,2,0,0,0,0|2,0,0]=4 3991 B10R0.96 C=C(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748629 [0,2,0,0,0,0|2,0,0]=4 3992 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,2,0,0,0,0|2,0,0]=4 3993 B10R0.96 C=C(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748629 [0,2,0,0,0,0|2,0,0]=4 3994 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,2,0,0,0,0|2,0,0]=4 3995 B10R0.96 C=C(C)CCC(=O)C=C(C)Cl 1458a_200042562850_100000730704 [0,2,0,0,0,0|2,0,0]=4 3996 B10R0.96 C=C(C)CCC(=O)C=C(C)I 1458a_100025716642_100000730704 [0,2,0,0,0,0|2,0,0]=4 3997 B10R0.96 C=C(C)CCC(=O)CC(=C)C 1458a_200000688413_100000748629 [0,2,0,0,0,0|2,0,0]=4 3998 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,2,0,0,0,0|2,0,0]=4 3999 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,2,0,0,0,0|2,0,0]=4 4000 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,2,0,0,0,0|2,0,0]=4 4001 B10R0.96 C=C(C)CCC(=O)CC(F)F 1458a_200000688413_100011934356 [0,2,0,0,0,0|2,0,0]=4 4002 B10R0.96 C=C(C)CCC(=O)CN(C)C 1458a_100000750896_100000730704 [0,2,0,0,0,0|2,0,0]=4 4003 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,2,0,0,0,0|2,0,0]=4 4004 B10R0.96 C=C(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000730704 [0,2,0,0,0,0|1,1,0]=4 4005 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4006 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4007 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4008 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,2,0,0,0,0|2,0,0]=4 4009 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,2,0,0,0,0|1,0,0]=3 4010 B10R0.96 CC(=O)CCC(=O)NN(C)C 1458a_100011219620_200000210301 [0,2,0,0,0,0|1,0,0]=3 4011 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,2,0,0,0,0|0,0,0]=2 4012 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,2,0,0,0,0|2,0,0]=4 4013 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,2,0,0,0,0|1,0,0]=3 4014 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,2,0,0,0,0|2,0,0]=4 4015 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,2,0,0,0,0|2,0,0]=4 4016 B10R0.96 CC(=O)NCC(=O)CC(F)F 1458a_100000194580_100011934356 [0,2,0,0,0,0|2,0,0]=4 4017 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,2,0,0,0,0|2,0,0]=4 4023 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,2,0,0,0,0|2,0,0]=4 4024 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,2,0,0,0,0|2,0,0]=4 4026 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,2,0,0,0,0|2,0,0]=4 4027 B10R0.96 CC(=O)OCC(=O)CC(F)F 1458a_100000183556_100011934356 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,2,0,0,0,0|2,0,0]=4 4029 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,2,0,0,0,0|2,0,0]=4 4030 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.96 CC(=O)SCC(=O)CC(F)F 1458a_100000049016_100011934356 [0,2,0,0,0,0|2,0,0]=4 4035 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,2,0,0,0,0|2,0,0]=4 4038 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,2,0,0,0,0|2,0,0]=4 4040 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,2,0,0,0,0|2,0,0]=4 4044 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,2,0,0,0,0|2,0,0]=4 4045 B10R0.96 CN(C)NC(=O)CCC(=O)[13CH3] 1458a_100011219620_200025704644 [0,2,0,0,0,0|1,0,0]=3 4046 B10R0.96 NC(=O)CCC(=O)CC(F)F 1458a_100011215257_100011934356 [0,2,0,0,0,0|2,0,0]=4 4047 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 4048 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 4049 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 4050 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 4051 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 4052 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 4053 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 4054 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 4055 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 4056 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 4057 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,1]=4 4058 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,1]=4 4059 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|2,0,0]=4 4060 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|2,0,0]=4 4061 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,1]=4 4062 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 4063 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 4064 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 4065 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|2,0,0]=4 4066 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 4067 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 4068 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 4069 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,1]=4 4070 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,1]=4 4071 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|2,0,0]=4 4072 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|2,0,0]=4 4073 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|2,0,0]=4 4074 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,1]=4 4075 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 4076 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 4077 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 4078 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,1]=4 4079 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,1]=4 4080 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 4081 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 4082 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|1,0,0]=3 4083 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|1,0,0]=3 4084 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [1,0,0,1,0,0|1,0,1]=4 4085 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [1,0,0,1,0,0|1,0,1]=4 4086 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 4087 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 4088 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 4089 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|0,0,1]=3 4090 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|0,1,1]=4 4091 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|0,1,1]=4 4092 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|0,0,1]=3 4093 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|0,1,1]=4 4094 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|0,1,1]=4 4095 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|1,0,0]=3 4096 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,1]=4 4097 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,1]=4 4098 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|0,0,1]=3 4099 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|0,0,1]=3 4100 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,1,0,0|2,0,0]=4 4101 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,1,0,0|2,0,0]=4 4102 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|1,0,0]=3 4103 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,1]=4 4104 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|0,0,1]=3 4105 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,1]=4 4106 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,1]=4 4107 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 4108 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|0,0,1]=3 4109 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|0,0,1]=3 4110 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|1,0,1]=4 4111 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|1,0,1]=4 4112 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|1,0,1]=4 4113 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|1,0,1]=4 4114 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,1]=4 4115 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|0,0,1]=3 4116 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,1]=4 4117 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,1]=4 4118 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|0,0,1]=3 4119 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,1]=4 4120 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,1]=4 4121 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,1]=4 4122 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [1,0,0,1,0,0|1,0,0]=3 4123 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [1,0,0,1,0,0|1,0,0]=3 4124 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|1,0,1]=4 4125 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [1,0,0,1,0,0|1,0,1]=4 4126 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [1,0,0,1,0,0|2,0,0]=4 4127 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [1,0,0,1,0,0|1,0,0]=3 4128 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [1,0,0,1,0,0|0,0,2]=4 4129 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|1,0,1]=4 4130 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [1,0,0,1,0,0|2,0,0]=4 4131 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [1,0,0,1,0,0|2,0,0]=4 4132 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [1,0,0,1,0,0|1,0,1]=4 4133 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [1,0,0,1,0,0|1,0,0]=3 4134 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [1,0,0,1,0,0|0,0,2]=4 4135 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [1,0,0,1,0,0|1,0,1]=4 4136 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [1,0,0,1,0,0|1,0,1]=4 4137 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,1,0|1,0,1]=4 4138 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,1,0,1|2,0,0]=4 4139 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,1,0,1|2,0,0]=4 4140 B10R1.13 C=C1CCN(CC1)C(=O)C 11a_100000752442_100015343762 [0,0,0,1,0,1|2,0,0]=4 4141 B10R1.13 C=C1CCN(CC1)C(=O)C 1626a_100000752442_100015343762 [0,0,0,1,0,1|2,0,0]=4 4142 B10R1.13 C=C1CCN(CC1)C(=O)C 240690a_100000752442_100015343762 [0,0,0,1,0,1|2,0,0]=4 4143 B10R1.13 C=C1CCN(CC1)C(=O)C 527a_100000752442_100103153847 [0,0,0,1,0,1|2,0,0]=4 4144 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,1,0,1|2,0,0]=4 4145 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,1,0,1|2,0,0]=4 4146 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,1|1,0,0]=3 4147 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [0,0,0,1,0,1|2,0,0]=4 4148 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [0,0,0,1,0,1|2,0,0]=4 4149 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [0,0,0,1,0,1|2,0,0]=4 4150 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [0,0,0,1,0,1|2,0,0]=4 4151 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [0,0,0,1,0,1|2,0,0]=4 4152 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [0,0,0,1,0,1|2,0,0]=4 4153 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,1,0,1|2,0,0]=4 4154 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,1,0,1|2,0,0]=4 4155 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,1|1,0,0]=3 4156 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,0,0,1,0,1|2,0,0]=4 4157 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,0,0,1,0,1|1,0,0]=3 4158 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,0,0,1,0,1|2,0,0]=4 4159 B10R1.14 CCC(=O)N1CNC(=O)C1 11a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 4160 B10R1.14 CCC(=O)N1CNC(=O)C1 1626a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 4161 B10R1.14 CCC(=O)N1CNC(=O)C1 240690a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 4162 B10R1.14 CCC(=O)N1CNC(=O)C1 527a_200000708111_100000210414 [0,0,0,1,0,1|2,0,0]=4 4163 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,0,0,1,0,1|2,0,0]=4 4164 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,0,0,1,0,1|2,0,0]=4 4165 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,0,0,1,0,1|2,0,0]=4 4166 B10R1.14 CNC(=O)C1CNC(=O)C1 11a_106832991635_100000747279 [0,0,0,1,0,1|1,0,0]=3 4167 B10R1.14 CNC(=O)C1CNC(=O)C1 1626a_100102657272_100000747279 [0,0,0,1,0,1|1,0,0]=3 4168 B10R1.14 CNC(=O)C1CNC(=O)C1 240690a_100102657272_100000747279 [0,0,0,1,0,1|1,0,0]=3 4169 B10R1.14 CNC(=O)C1CNC(=O)C1 527a_100102657272_100000747279 [0,0,0,1,0,1|1,0,0]=3 4170 B10R1.14 CNC(=O)C1CNC(=O)N1 11a_106832991635_100000033324 [0,0,0,1,0,1|2,0,0]=4 4171 B10R1.14 CNC(=O)C1CNC(=O)N1 240690a_100102657272_100000033324 [0,0,0,1,0,1|2,0,0]=4 4172 B10R1.14 CNC(=O)N1CNC(=O)C1 2708a_100102657272_200000708111 [0,0,0,1,0,1|2,0,0]=4 4173 B10R1.14 CNC(=O)N1CNC(=O)C1 273464a_100102657272_200000708111 [0,0,0,1,0,1|2,0,0]=4 4174 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,0,0,1,0,1|2,0,0]=4 4175 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 4176 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 4177 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,0,0,1,0,1|2,0,0]=4 4178 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [0,0,0,1,0,1|2,0,0]=4 4179 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,0,0,1,0,1|2,0,0]=4 4180 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,0,0,1,0,1|2,0,0]=4 4181 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,0,0,1,0,1|2,0,0]=4 4182 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,0,0,1,0,1|2,0,0]=4 4183 B10R1.14 O=C1CC(CN1)C(=O)CF 1458a_100000747279_100015361967 [0,0,0,1,0,1|2,0,0]=4 4184 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,0,0,1,0,1|1,0,1]=4 4185 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,0,0,1,0,1|1,0,1]=4 4186 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,0,0,1,0,1|1,0,1]=4 4187 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,0,0,1,0,1|1,0,1]=4 4188 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,0,0,1,0,1|1,0,1]=4 4189 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,0,0,1,0,1|1,0,1]=4 4190 B10R1.54 C=C(C)CN1CNC(=O)C1 2230a_200000708111_100000748629 [0,0,0,1,0,1|2,0,0]=4 4191 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,0,1|1,0,0]=3 4192 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,1|1,0,0]=3 4193 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,1|0,0,0]=2 4194 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,0,1|1,0,0]=3 4195 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,1,0,1|0,0,0]=2 4196 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [0,0,0,1,0,1|1,0,0]=3 4197 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [0,0,0,1,0,1|1,0,0]=3 4198 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [0,0,0,1,0,1|1,0,0]=3 4199 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [0,0,0,1,0,1|1,0,0]=3 4200 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,0,0,1,0,1|2,0,0]=4 4201 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 4202 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 4203 B10R1.54 NC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747473 [0,0,0,1,0,1|2,0,0]=4 4204 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,0,1|1,0,0]=3 4205 B10R1.117 C=C(C)COC1CCC1=O 34a_100000210245_100009892977 [0,0,0,1,0,1|2,0,0]=4 4206 B10R1.117 C=C(C)CSC1CCC1=O 62a_100000748629_100009892977 [0,0,0,1,0,1|2,0,0]=4 4207 B10R1.117 C=C(C)CSC1CCC1=O 62a_100009892977_100000211660 [0,0,0,1,0,1|2,0,0]=4 4208 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,1|1,0,0]=3 4209 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,0,0,1,0,1|1,0,0]=3 4210 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [0,0,0,1,0,1|2,0,0]=4 4211 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [0,0,0,1,0,1|2,0,0]=4 4212 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,1|2,0,0]=4 4213 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100009892977_100020667443 [0,0,0,1,0,1|2,0,0]=4 4214 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100020667443_100009892977 [0,0,0,1,0,1|2,0,0]=4 4215 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,0,0,1,0,1|1,0,1]=4 4216 B10R1.150 C#CC(=O)CC1CC(=O)C1 1458a_100000211873_100009874392 [0,0,0,1,0,1|1,0,1]=4 4217 B10R1.150 C=C1CC(C1)NC(=O)CC 11a_100132301982_100000210414 [0,0,0,1,0,1|2,0,0]=4 4218 B10R1.150 C=C1CC(C1)NC(=O)CC 1626a_100132301982_100000210414 [0,0,0,1,0,1|2,0,0]=4 4219 B10R1.150 C=C1CC(C1)NC(=O)CC 527a_100132301982_100000210414 [0,0,0,1,0,1|2,0,0]=4 4220 B10R1.150 C=C1CC(C1)NC(=O)NC 2708a_100102657272_100132301982 [0,0,0,1,0,1|2,0,0]=4 4221 B10R1.150 C=C1CC(C1)NC(=O)NC 2708a_100132301982_106832991635 [0,0,0,1,0,1|2,0,0]=4 4222 B10R1.150 C=C1CC(C1)NC(=O)NC 273464a_100102657272_100132301982 [0,0,0,1,0,1|2,0,0]=4 4223 B10R1.150 C=C1CC(C1)NC(=O)NC 273464a_100132301982_100102657272 [0,0,0,1,0,1|2,0,0]=4 4224 B10R1.150 C=C1CC(C1)NC(=O)NC 512a_100132301982_100102657272 [0,0,0,1,0,1|2,0,0]=4 4225 B10R1.150 C=C1CC(C1)NC(=O)NC 512a_106832991638_100132301982 [0,0,0,1,0,1|2,0,0]=4 4226 B10R1.150 C=CC(=O)CC1CC(=O)C1 1458a_100000185746_100009874392 [0,0,0,1,0,1|1,0,1]=4 4227 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,0,0,1,0,1|1,0,0]=3 4228 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,0,0,1,0,1|2,0,0]=4 4229 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,0,0,1,0,1|2,0,0]=4 4230 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,0,0,1,0,1|1,0,1]=4 4231 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,0,0,1,0,1|1,0,1]=4 4232 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,0,0,1,0,1|1,0,1]=4 4233 B10R1.150 COC(=O)CN1CC(C1)F 2230a_100000690557_100000747449 [0,0,0,1,0,1|1,0,1]=4 4234 B10R1.150 COC(=O)CN1CC(C1)F 269982a_100000690557_100000747449 [0,0,0,1,0,1|1,0,1]=4 4235 B10R1.150 COC(=O)CN1CC(C1)F 34a_100000690557_100000747449 [0,0,0,1,0,1|1,0,1]=4 4236 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,0,0,1,0,1|0,0,2]=4 4237 B10R1.150 COC(C)SC1CC(=O)C1 62a_100009894365_100009879195 [0,0,0,1,0,1|1,0,1]=4 4238 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [0,0,0,1,0,1|2,0,0]=4 4239 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,0,0,1,0,1|1,0,1]=4 4240 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,0,0,1,0,1|1,0,1]=4 4241 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,0,0,1,0,1|1,0,1]=4 4242 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,0,0,1,0,1|1,0,1]=4 4243 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,0,0,1,0,1|1,0,1]=4 4244 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,0,0,1,0,1|0,0,2]=4 4245 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,0,0,1,0,1|1,0,1]=4 4246 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,0,0,1,0,1|1,0,1]=4 4247 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,0,0,1,0,1|0,0,2]=4 4248 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,0,0,1,0,1|0,0,2]=4 4249 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,0,0,1,0,1|0,1,1]=4 4250 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,0,0,1,0,1|0,1,1]=4 4251 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,0,0,1,0,1|0,0,2]=4 4252 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,0,0,1,0,1|0,0,2]=4 4253 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,0,0,1,0,1|1,0,1]=4 4254 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,0,0,1,0,1|1,0,1]=4 4255 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,0,0,1,0,1|1,0,1]=4 4256 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,0,0,1,0,1|1,0,1]=4 4257 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,0,0,1,0,1|1,0,0]=3 4258 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,0,0,1,0,1|1,0,0]=3 4259 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,0,0,1,0,1|1,0,1]=4 4260 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,0,0,1,0,1|1,0,1]=4 4261 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,0,0,1,0,1|1,0,1]=4 4262 B10R1.350 CC(=O)COCC1(CO1)C 34a_100000211253_100000760498 [0,0,0,1,0,1|1,0,1]=4 4263 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,0,0,1,0,1|0,0,0]=2 4264 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,0,0,1,0,1|0,0,0]=2 4265 B10R1.408 COC(=O)C1CN1C(=O)C 240690a_200009830135_100015343762 [0,0,0,1,0,1|0,0,0]=2 4266 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,0,0,1,0,1|1,0,1]=4 4267 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,1,0,1,0,0|1,0,0]=3 4268 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,1,0,1,0,0|1,0,0]=3 4269 B10R1.81 C=C1CC(C1)C(=O)C(C)C 1458a_100000065620_100000210206 [0,1,0,1,0,0|2,0,0]=4 4270 B10R1.81 C=C1CC(C1)C(=O)N(C)C 11a_100102631434_100000065620 [0,1,0,1,0,0|2,0,0]=4 4271 B10R1.81 C=C1CC(C1)C(=O)N(C)C 1626a_100102631434_100000065620 [0,1,0,1,0,0|2,0,0]=4 4272 B10R1.81 C=C1CC(C1)C(=O)N(C)C 240690a_100102631434_100000065620 [0,1,0,1,0,0|2,0,0]=4 4273 B10R1.81 C=C1CC(C1)C(=O)N(C)C 527a_100102631434_100000065620 [0,1,0,1,0,0|2,0,0]=4 4274 B10R1.81 CC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210206 [0,1,0,1,0,0|2,0,0]=4 4275 B10R1.81 CN(C)C(=O)[C@@H]1CC(=O)N1 527a_100102631434_100016090685 [0,1,0,1,0,0|2,0,0]=4 4276 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,1,0,1,0,0|2,0,0]=4 4277 B10R1.211 C=C(C)CCC(=O)C1CO1 1458a_100000701028_100000730704 [0,1,0,1,0,0|1,0,0]=3 4278 B10R1.211 C=C(C)CNC(=O)C1CO1 11a_100000765925_100000701028 [0,1,0,1,0,0|2,0,0]=4 4279 B10R1.211 C=C(C)CNC(=O)C1CO1 1626a_100000765925_100000701028 [0,1,0,1,0,0|2,0,0]=4 4280 B10R1.211 C=C(C)CNC(=O)C1CO1 240690a_100000765925_100000701028 [0,1,0,1,0,0|2,0,0]=4 4281 B10R1.211 C=C(C)CNC(=O)C1CO1 527a_100000765925_100000701028 [0,1,0,1,0,0|2,0,0]=4 4282 B10R1.211 CC(=CCC(=O)C1CO1)C 1458a_100000701028_100000761012 [0,1,0,1,0,0|1,0,1]=4 4283 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,1,0,1,0,0|2,0,0]=4 4284 B10R1.211 CC(=O)NNC(=O)C1CO1 22a_100000189765_100000701028 [0,1,0,1,0,0|2,0,0]=4 4285 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,1,0,1,0,0|1,0,1]=4 4286 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|0,0,2]=4 4287 B10R1.211 NC(=O)CNC(=O)C1CO1 11a_100000711301_100000701028 [0,1,0,1,0,0|2,0,0]=4 4288 B10R1.211 NC(=O)CNC(=O)C1CO1 240690a_100000711301_100000701028 [0,1,0,1,0,0|2,0,0]=4 4289 B10R1.211 NC(=O)CNC(=O)C1CO1 527a_100000711301_100000701028 [0,1,0,1,0,0|2,0,0]=4 4290 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200000210301 [0,1,0,1,0,0|2,0,0]=4 4291 B10R1.359 [13CH3]C(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200025704644 [0,1,0,1,0,0|2,0,0]=4 4292 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,1,0,1,0,0|2,0,0]=4 4293 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,1,0,1,0,0|1,0,0]=3 4294 B10R1.64 CC(=O)CN1CSCC1=O 1458a_100000008433_200000210301 [0,1,0,1,0,0|1,1,0]=4 4295 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4296 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4297 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4298 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,1,0,1,0,0|2,0,0]=4 4299 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,1,0,1,0,0|1,1,0]=4 4300 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,1,0,1,0,0|1,1,0]=4 4301 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,1,0,1,0,0|1,1,0]=4 4302 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,1,0,1,0,0|1,1,0]=4 4303 B10R1.64 CC(=O)N[C@@H]1CONC1=O 11a_100000765999_100015343762 [0,1,0,1,0,0|1,0,0]=3 4304 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,1,0,1,0,0|2,0,0]=4 4305 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,1,0,1,0,0|1,0,0]=3 4306 B10R1.64 [13CH3]C(=O)CN1CSCC1=O 1458a_100000008433_200025704644 [0,1,0,1,0,0|1,1,0]=4 4307 B10R1.424 COC(=O)C1(CN(C1)C)C 2230a_100009883290_200000210301 [0,1,0,1,0,0|2,0,0]=4 4308 B10R1.424 COC(=O)C1(CN(C1)C)C 269982a_100009883290_200000210301 [0,1,0,1,0,0|2,0,0]=4 4309 B10R1.424 COC(=O)C1(CN(C1)[13CH3])C 2230a_100009883290_200025704644 [0,1,0,1,0,0|2,0,0]=4 4310 B10R1.424 COC(=O)C1(CN(C1)[13CH3])C 269982a_100009883290_200025704644 [0,1,0,1,0,0|2,0,0]=4 4311 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|2,0,0]=4 4312 B10R1.169 CCC(=O)C1CC(C1)OC 1458a_100011999411_100000210202 [0,1,0,1,0,0|1,0,1]=4 4313 B10R1.169 CCN1CC(C1)C(=O)OC 269982a_100015188540_100000204670 [0,1,0,1,0,0|2,0,0]=4 4314 B10R1.169 CNC(=O)C1CC(C1)OC 11a_106832991635_100011999411 [0,1,0,1,0,0|1,0,1]=4 4315 B10R1.169 CNC(=O)C1CC(C1)OC 1626a_100102657272_100011999411 [0,1,0,1,0,0|1,0,1]=4 4316 B10R1.169 CNC(=O)C1CC(C1)OC 240690a_100102657272_100011999411 [0,1,0,1,0,0|1,0,1]=4 4317 B10R1.169 CNC(=O)C1CC(C1)OC 527a_100102657272_100011999411 [0,1,0,1,0,0|1,0,1]=4 4318 B10R1.169 CNC1CC(C1)C(=O)OC 34a_100102657272_100009897219 [0,1,0,1,0,0|1,0,1]=4 4319 B10R1.169 CNC1CC(C1)C(=O)OC 7a_106832991635_100009897219 [0,1,0,1,0,0|1,0,1]=4 4320 B10R1.169 COC(=O)C1CC(C1)OC 34a_100138415774_100009897219 [0,1,0,1,0,0|0,0,2]=4 4321 B10R1.169 COC(=O)C1CC(C1)OC 7a_100000076263_200000210301 [0,1,0,1,0,0|0,0,2]=4 4322 B10R1.169 COC(=O)C1CC(C1)O[13CH3] 7a_100000076263_200025704644 [0,1,0,1,0,0|0,0,2]=4 4323 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|0,1,1]=4 4324 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|0,1,1]=4 4325 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|0,1,1]=4 4326 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|0,1,1]=4 4327 B10R1.169 COC(=O)C1CN(C1)CF 269982a_100015188540_100015361967 [0,1,0,1,0,0|2,0,0]=4 4328 B10R1.169 COC1CC(C1)C(=O)CF 1458a_100011999411_100015361967 [0,1,0,1,0,0|1,0,1]=4 4329 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 34a_100012184276_200025704644 [0,1,0,1,0,0|1,0,1]=4 4330 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 7a_100012184276_200025704644 [0,1,0,1,0,0|1,0,1]=4 4331 B10R1.473 COC1(CCC(=O)CC1)C 34a_100012184276_200000210301 [0,1,0,1,0,0|1,0,1]=4 4332 B10R1.473 COC1(CCC(=O)CC1)C 7a_100012184276_200000210301 [0,1,0,1,0,0|1,0,1]=4 4333 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|1,0,0]=3 4334 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,1,0,1,0,0|1,1,0]=4 4335 B10R1.113 CC(=O)N1CCNC(=O)C1 11a_100000184651_100015343762 [0,1,0,1,0,0|2,0,0]=4 4336 B10R1.113 CC(=O)N1CCNC(=O)C1 1626a_100000184651_100015343762 [0,1,0,1,0,0|2,0,0]=4 4337 B10R1.113 CC(=O)N1CCNC(=O)C1 240690a_100000184651_100015343762 [0,1,0,1,0,0|2,0,0]=4 4338 B10R1.113 CC(=O)N1CCNC(=O)C1 527a_100000184651_100103153847 [0,1,0,1,0,0|2,0,0]=4 4339 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,1,0,1,0,0|1,0,0]=3 4340 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,1,0,1,0,0|1,0,0]=3 4341 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,1,0,1,0,0|1,0,0]=3 4342 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|2,0,0]=4 4343 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|1,0,0]=3 4344 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,1,0,1,0,0|1,1,0]=4 4345 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|2,0,0]=4 4346 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|1,0,1]=4 4347 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,1,0,1,0,0|0,0,2]=4 4348 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,1,0,1,0,0|0,0,2]=4 4349 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,1,0,1,0,0|2,0,0]=4 4350 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,1,0,1,0,0|1,0,1]=4 4351 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|1,0,1]=4 4352 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,1,0,1,0,0|0,0,2]=4 4353 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,1,0,1,0,0|2,0,0]=4 4354 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,1,0,1,0,0|1,0,1]=4 4355 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|1,0,1]=4 4356 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|1,0,1]=4 4357 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|1,0,1]=4 4358 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,1,0,1,0,0|1,0,1]=4 4359 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,1,0,1,0,0|1,0,1]=4 4360 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|1,0,1]=4 4361 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|1,0,1]=4 4362 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|1,0,1]=4 4363 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|1,0,1]=4 4364 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|0,0,2]=4 4365 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,1,0,1,0,0|2,0,0]=4 4366 B10R1.140 C=C1CC(C1)C(=O)CCF 1458a_100000065620_100011217306 [0,1,0,1,0,0|2,0,0]=4 4367 B10R1.140 C=C1CC(C1)C(=O)CCO 1458a_100000065620_100000211926 [0,1,0,1,0,0|2,0,0]=4 4368 B10R1.140 C=C1CC(C1)C(=O)NCC 11a_100015525214_100000065620 [0,1,0,1,0,0|2,0,0]=4 4369 B10R1.140 C=C1CC(C1)C(=O)NCC 240690a_100015525214_100000065620 [0,1,0,1,0,0|2,0,0]=4 4370 B10R1.140 C=C1CC(C1)C(=O)NCC 527a_100015525214_100000065620 [0,1,0,1,0,0|2,0,0]=4 4371 B10R1.140 C=C1CC(C1)C(=O)NNC 22a_100016993582_100000065620 [0,1,0,1,0,0|2,0,0]=4 4372 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,1,0,1,0,0|2,0,0]=4 4373 B10R1.140 CCNC(=O)[C@@H]1CC(=O)N1 527a_100015525214_100016090685 [0,1,0,1,0,0|2,0,0]=4 4374 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,1,0,1,0,0|2,0,0]=4 4375 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,1,0,1,0,0|2,0,0]=4 4376 B10R1.140 CNNC(=O)[C@@H]1CC(=O)N1 22a_100016993582_100016090685 [0,1,0,1,0,0|2,0,0]=4 4377 B10R1.140 O=C1C[C@H](N1)C(=O)CCF 1458a_100016090685_100011217306 [0,1,0,1,0,0|2,0,0]=4 4378 B10R1.140 O=C1C[C@H](N1)C(=O)CCO 1458a_100016090685_100000211926 [0,1,0,1,0,0|2,0,0]=4 4379 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,1,0|1,0,0]=3 4380 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,0,0,0,1,0|1,0,1]=4 4381 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,1,0|1,0,1]=4 4382 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,0,0,1,0|1,0,1]=4 4383 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,0,0,1,0|1,0,1]=4 4384 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,1,0|1,0,1]=4 4385 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,0,0,1,0|1,0,1]=4 4386 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,0,0,1,0|1,0,1]=4 4387 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,1,0|1,0,0]=3 4388 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,1,0|1,0,0]=3 4389 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,1,0|0,0,1]=3 4390 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,1,0|1,0,1]=4 4391 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,1,0|1,0,1]=4 4392 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,1,0|0,0,2]=4 4393 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,1,0|2,0,0]=4 4394 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,1,0|0,0,2]=4 4395 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,0,0,0,1,0|1,0,1]=4 4396 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,1,0|2,0,0]=4 4397 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,1,0|1,0,1]=4 4398 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,1,0|2,0,0]=4 4399 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,1,0|2,0,0]=4 4400 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,1,0|2,0,0]=4 4401 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,1,0|0,0,2]=4 4402 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,1,0|2,0,0]=4 4403 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,1,0|1,0,0]=3 4404 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,2,0|2,0,0]=4 4405 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,2,0|2,0,0]=4 4406 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,2,0|2,0,0]=4 4407 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,2,0|2,0,0]=4 4408 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,2,0|2,0,0]=4 4409 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,2,0|1,0,1]=4 4410 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,2,0|1,0,0]=3 4411 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,2,0|2,0,0]=4 4412 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,2,0|1,0,0]=3 4413 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,2,0|1,0,1]=4 4414 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,2,0|1,0,1]=4 4415 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,2,0|1,0,1]=4 4416 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,0,0,0,0,2|1,0,1]=4 4417 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [0,0,0,0,0,2|1,0,1]=4 4418 B10R0.55 C#CC(=O)CCCSC(=O)C 1458a_100000211873_100000038929 [0,0,0,0,0,2|1,0,1]=4 4419 B10R0.55 C=C(Br)CCOCC(=O)OC 34a_100009813270_100000747449 [0,0,0,0,0,2|1,0,1]=4 4420 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,0,0,0,0,2|2,0,0]=4 4421 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,0,0,0,0,2|2,0,0]=4 4422 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,0,0,0,0,2|2,0,0]=4 4423 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,0,0,0,0,2|2,0,0]=4 4424 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,0,0,0,0,2|1,0,0]=3 4425 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,0,0,0,0,2|2,0,0]=4 4426 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,0,0,0,0,2|2,0,0]=4 4427 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,0,0,0,0,2|2,0,0]=4 4428 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,0,0,0,0,2|2,0,0]=4 4429 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,0,0,0,0,2|1,0,0]=3 4430 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,0,0,0,0,2|1,0,0]=3 4431 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,0,0,0,0,2|2,0,0]=4 4432 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,0,0,0,0,2|2,0,0]=4 4433 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,0,0,0,0,2|2,0,0]=4 4434 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,0,0,0,0,2|2,0,0]=4 4435 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,0,0,0,0,2|1,0,0]=3 4436 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,0,0,0,0,2|2,0,0]=4 4437 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,0,0,0,0,2|2,0,0]=4 4438 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,0,0,0,0,2|1,0,0]=3 4439 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,0,0,0,0,2|1,0,0]=3 4440 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,0,0,0,0,2|1,0,0]=3 4441 B10R0.55 C=C(F)COCCC(=O)OC 34a_200010262243_100000742370 [0,0,0,0,0,2|1,0,1]=4 4442 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [0,0,0,0,0,2|1,0,1]=4 4443 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [0,0,0,0,0,2|1,0,1]=4 4444 B10R0.55 C=C(F)CSCOC(=O)OC 62a_100000042424_100000139417 [0,0,0,0,0,2|1,0,1]=4 4445 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,0,0,0,0,2|1,0,1]=4 4446 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,0,0,0,0,2|1,0,1]=4 4447 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,0,0,0,0,2|1,0,1]=4 4448 B10R0.55 C=CC(=O)NCCNC(=O)C 11a_114873766552_100015343762 [0,0,0,0,0,2|1,0,1]=4 4449 B10R0.55 C=CC(=O)NCCNC(=O)C 1626a_114873766552_100015343762 [0,0,0,0,0,2|1,0,1]=4 4450 B10R0.55 C=CC(=O)NCCNC(=O)C 240690a_100000209853_200121576911 [0,0,0,0,0,2|1,0,1]=4 4451 B10R0.55 C=CC(=O)NCCNC(=O)C 527a_114873766552_100103153847 [0,0,0,0,0,2|1,0,1]=4 4452 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,0,0,0,0,2|1,0,1]=4 4453 B10R0.55 C=CC(=O)NCCSC(=O)C 240690a_100020647217_200121576911 [0,0,0,0,0,2|1,0,1]=4 4454 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,0,0,0,0,2|2,0,0]=4 4455 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,0,0,0,0,2|2,0,0]=4 4456 B10R0.55 CC(=O)NCCNC(=O)CO 240690a_100000209853_100000210174 [0,0,0,0,0,2|2,0,0]=4 4457 B10R0.55 CC(=O)NCCNC(=O)CO 527a_100000209853_100000210174 [0,0,0,0,0,2|2,0,0]=4 4458 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,0,0,0,0,2|2,0,0]=4 4459 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,0,0,0,0,2|2,0,0]=4 4460 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,0,0,0,0,2|2,0,0]=4 4461 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,0,0,0,0,2|2,0,0]=4 4462 B10R0.55 CC(=O)SCCNC(=O)CO 240690a_100020647217_100000210174 [0,0,0,0,0,2|2,0,0]=4 4463 B10R0.55 CC(=O)SCCNC(=O)CO 527a_100020647217_100000210174 [0,0,0,0,0,2|2,0,0]=4 4464 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,0,0,0,0,2|1,0,0]=3 4465 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,0,0,0,0,2|1,0,0]=3 4466 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,0,0,0,0,2|1,0,0]=3 4467 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,0,0,0,0,2|1,1,0]=4 4468 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,0,0,0,0,2|1,0,0]=3 4469 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,0,0,0,0,2|2,0,0]=4 4470 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,0,0,0,0,2|2,0,0]=4 4471 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,0,0,0,0,2|2,0,0]=4 4472 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,0,0,0,0,2|2,0,0]=4 4473 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,0,0,0,0,2|1,0,0]=3 4474 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,0,0,0,0,2|2,0,0]=4 4475 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,0,0,0,0,2|2,0,0]=4 4476 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,0,0,0,0,2|1,0,0]=3 4477 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,0,0,0,0,2|2,0,0]=4 4478 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,0,0,0,0,2|2,0,0]=4 4479 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,0,0,0,0,2|1,0,0]=3 4480 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,0,0,0,0,2|1,0,0]=3 4481 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,0,0,0,0,2|2,0,0]=4 4482 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,0,0,0,0,2|2,0,0]=4 4483 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,0,0,0,0,2|1,0,0]=3 4484 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,0,0,0,0,2|1,0,0]=3 4485 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,0,0,0,0,2|2,0,0]=4 4486 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,0,0,0,0,2|2,0,0]=4 4487 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,0,0,0,0,2|2,0,0]=4 4488 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,0,0,0,0,2|2,0,0]=4 4489 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,0,0,0,0,2|2,0,0]=4 4490 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,0,0,0,0,2|1,0,0]=3 4491 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,0,0,0,0,2|1,0,0]=3 4492 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,0,0,0,0,2|1,0,0]=3 4493 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,0,0,0,0,2|1,0,0]=3 4494 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,0,0,0,0,2|1,0,0]=3 4495 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,0,0,0,0,2|1,0,0]=3 4496 B10R0.55 CCC(=O)NCCNC(=O)N 240690a_100020590234_100000210414 [0,0,0,0,0,2|2,0,0]=4 4497 B10R0.55 CCC(=O)NCCNC(=O)N 527a_100020590234_100000210414 [0,0,0,0,0,2|2,0,0]=4 4498 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,0,0,0,0,2|1,0,0]=3 4499 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,0,0,0,0,2|1,0,0]=3 4500 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,0,0,0,0,2|1,0,0]=3 4501 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,0,0,0,0,2|1,0,0]=3 4502 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,0,0,0,0,2|1,0,0]=3 4503 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,0,0,0,0,2|1,0,0]=3 4504 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,0,0,0,0,2|1,0,0]=3 4505 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,0,0,0,0,2|1,0,0]=3 4506 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,0,0,0,0,2|1,0,0]=3 4507 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,0,0,0,0,2|1,0,0]=3 4508 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,0,0,0,0,2|1,0,0]=3 4509 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,0,0,0,0,2|1,0,0]=3 4510 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,0,0,0,0,2|1,0,0]=3 4511 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000711301_100000737683 [0,0,0,0,0,2|2,0,0]=4 4512 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000738227_100000747473 [0,0,0,0,0,2|2,0,0]=4 4513 B10R0.55 CNC(=O)CCNCC(=O)N 34a_100000738227_100000187820 [0,0,0,0,0,2|2,0,0]=4 4514 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,0,0,0,0,2|2,0,0]=4 4515 B10R0.55 CNC(=O)CCNCC(=O)[O-] 34a_100000738227_100020667443 [0,0,0,0,0,2|2,0,0]=4 4516 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,0,0,0,0,2|1,0,0]=3 4517 B10R0.55 CNC(=O)CCOCC(=O)N 34a_100000754576_100000187820 [0,0,0,0,0,2|2,0,0]=4 4518 B10R0.55 CNC(=O)CCOCC(=O)[O-] 34a_100000754576_100020667443 [0,0,0,0,0,2|2,0,0]=4 4519 B10R0.55 CNC(=O)CCSCC(=O)N 11a_106832991635_100000148550 [0,0,0,0,0,2|2,0,0]=4 4520 B10R0.55 CNC(=O)CCSCC(=O)N 240690a_100102657272_100000148550 [0,0,0,0,0,2|2,0,0]=4 4521 B10R0.55 CNC(=O)CCSCC(=O)N 527a_100102657272_100000148550 [0,0,0,0,0,2|2,0,0]=4 4522 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000737683_100000747473 [0,0,0,0,0,2|2,0,0]=4 4523 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000747473_100000737683 [0,0,0,0,0,2|2,0,0]=4 4524 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100000737683_100020667443 [0,0,0,0,0,2|2,0,0]=4 4525 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737683 [0,0,0,0,0,2|2,0,0]=4 4526 B10R0.55 CNC(=O)CNCC=C(C)C 2230a_100000693194_100000761012 [0,0,0,0,0,2|2,0,0]=4 4527 B10R0.55 CNC(=O)CNCC=C(C)C 34a_100000718196_100000183359 [0,0,0,0,0,2|2,0,0]=4 4528 B10R0.55 CNC(=O)CNCCC(=O)N 2230a_100000693194_100000744528 [0,0,0,0,0,2|2,0,0]=4 4529 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [0,0,0,0,0,2|2,0,0]=4 4530 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,0,0,0,0,2|2,0,0]=4 4531 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,0,0,0,0,2|2,0,0]=4 4532 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,0,0,0,0,2|1,0,0]=3 4533 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,0,0,0,0,2|1,0,0]=3 4534 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000750040_100000731001 [0,0,0,0,0,2|2,0,0]=4 4535 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000757172_100000183359 [0,0,0,0,0,2|2,0,0]=4 4536 B10R0.55 CNC(=O)COCCC(=O)N 7a_100000757172_100000183359 [0,0,0,0,0,2|2,0,0]=4 4537 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,0,0,0,0,2|1,0,0]=3 4538 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000183359_100000761012 [0,0,0,0,0,2|2,0,0]=4 4539 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000761012_100000183359 [0,0,0,0,0,2|2,0,0]=4 4540 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,0,0,0,0,2|1,0,0]=3 4541 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,0,0,0,0,2|1,0,0]=3 4542 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000183359_100000744528 [0,0,0,0,0,2|2,0,0]=4 4543 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000744528_100000183359 [0,0,0,0,0,2|2,0,0]=4 4544 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,0,0,0,0,2|1,0,0]=3 4545 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,0,0,0,0,2|1,0,0]=3 4546 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100000739312_100102657272 [0,0,0,0,0,2|2,0,0]=4 4547 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100102657272_100000739312 [0,0,0,0,0,2|2,0,0]=4 4548 B10R0.55 CNC(=O)NCCCC(=O)N 512a_100000739312_100102657272 [0,0,0,0,0,2|2,0,0]=4 4549 B10R0.55 CNC(=O)NCCCC(=O)N 512a_106832991638_100000739312 [0,0,0,0,0,2|2,0,0]=4 4550 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,0,0,0,0,2|2,0,0]=4 4551 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,0,0,0,0,2|2,0,0]=4 4552 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,0,0,0,0,2|2,0,0]=4 4553 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,0,0,0,0,2|2,0,0]=4 4554 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,0,0,0,0,2|2,0,0]=4 4555 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,0,0,0,0,2|2,0,0]=4 4556 B10R0.55 CNC(=O)NCCNC(=O)C 11a_100015205895_100015343762 [0,0,0,0,0,2|1,0,0]=3 4557 B10R0.55 CNC(=O)NCCNC(=O)C 240690a_100015205895_100015343762 [0,0,0,0,0,2|1,0,0]=3 4558 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100000209853_106832991635 [0,0,0,0,0,2|1,0,0]=3 4559 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100102657272_100000209853 [0,0,0,0,0,2|1,0,0]=3 4560 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100000209853_100102657272 [0,0,0,0,0,2|1,0,0]=3 4561 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100102657272_100000209853 [0,0,0,0,0,2|1,0,0]=3 4562 B10R0.55 CNC(=O)NCCNC(=O)C 512a_100000209853_100102657272 [0,0,0,0,0,2|1,0,0]=3 4563 B10R0.55 CNC(=O)NCCNC(=O)C 512a_106832991638_100000209853 [0,0,0,0,0,2|1,0,0]=3 4564 B10R0.55 CNC(=O)NCCNC(=O)C 527a_100015205895_100103153847 [0,0,0,0,0,2|1,0,0]=3 4565 B10R0.55 CNC(=O)NCCNC(=O)N 2708a_100102657272_100020590234 [0,0,0,0,0,2|2,0,0]=4 4566 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100020590234_100102657272 [0,0,0,0,0,2|2,0,0]=4 4567 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100102657272_100020590234 [0,0,0,0,0,2|2,0,0]=4 4568 B10R0.55 CNC(=O)NCCNC(=O)N 512a_100020590234_100102657272 [0,0,0,0,0,2|2,0,0]=4 4569 B10R0.55 CNC(=O)NCCNC(=O)N 512a_106832991638_100020590234 [0,0,0,0,0,2|2,0,0]=4 4570 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,0,0,0,0,2|1,0,0]=3 4571 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,0,0,0,0,2|1,0,0]=3 4572 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,0,0,0,0,2|1,0,0]=3 4573 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,0,0,0,0,2|1,0,0]=3 4574 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,0,0,0,0,2|1,0,0]=3 4575 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [0,0,0,0,0,2|1,0,0]=3 4576 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [0,0,0,0,0,2|1,0,0]=3 4577 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [0,0,0,0,0,2|1,0,0]=3 4578 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [0,0,0,0,0,2|1,0,0]=3 4579 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [0,0,0,0,0,2|1,0,0]=3 4580 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [0,0,0,0,0,2|1,0,0]=3 4581 B10R0.55 COC(=O)CC=NNC(=O)C 4a_100000189765_200011552997 [0,0,0,0,0,2|0,0,1]=3 4582 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,0,0,0,0,2|0,0,0]=2 4583 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,0,0,0,0,2|0,0,0]=2 4584 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,0,0,0,0,2|0,0,0]=2 4585 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,0,0,0,0,2|2,0,0]=4 4586 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,0,0,0,0,2|2,0,0]=4 4587 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,0,0,0,0,2|0,0,0]=2 4588 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,0,0,0,0,2|1,0,1]=4 4589 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,0,0,0,0,2|1,0,1]=4 4590 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,0,0,0,0,2|1,0,1]=4 4591 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,0,0,0,0,2|1,0,1]=4 4592 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,0,0,0,0,2|1,0,1]=4 4593 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,0,0,0,0,2|1,0,0]=3 4594 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,0,0,0,0,2|1,0,0]=3 4595 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,0,0,0,0,2|1,0,1]=4 4596 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,0,0,0,0,2|1,0,1]=4 4597 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,0,0,0,0,2|0,0,2]=4 4598 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,0,0,0,0,2|0,0,2]=4 4599 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,0,0,0,0,2|0,0,0]=2 4600 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,0,0,0,0,2|1,0,1]=4 4601 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,0,0,0,0,2|1,0,1]=4 4602 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,0,0,0,0,2|1,0,1]=4 4603 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,0,0,0,0,2|1,0,1]=4 4604 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,0,0,0,0,2|1,0,1]=4 4605 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,0,0,0,0,2|1,0,0]=3 4606 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,0,0,0,0,2|1,0,0]=3 4607 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [0,0,0,0,0,2|1,0,0]=3 4608 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [0,0,0,0,0,2|1,0,0]=3 4609 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,0,0,0,0,2|1,0,1]=4 4610 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,0,0,0,0,2|1,0,1]=4 4611 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,0,0,0,0,2|0,0,2]=4 4612 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,0,0,0,0,2|0,0,2]=4 4613 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,0,0,0,0,2|0,0,2]=4 4614 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,0,0,0,0,2|0,0,2]=4 4615 B10R0.55 COC(=O)CCSC[N+](=O)[O-] 62a_100000204255_100000761209 [0,0,0,0,0,2|2,0,0]=4 4616 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,0,0,0,0,2|1,0,0]=3 4617 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,0,0,0,0,2|0,0,2]=4 4618 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,0,0,0,0,2|1,0,0]=3 4619 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,0,0,0,0,2|1,0,0]=3 4620 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,0,0,0,0,2|0,0,0]=2 4621 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,0,0,0,0,2|0,0,0]=2 4622 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,0,0,0,0,2|0,0,0]=2 4623 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,0,0,0,0,2|1,0,0]=3 4624 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,0,0,0,0,2|1,0,0]=3 4625 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,0,0,0,0,2|1,0,1]=4 4626 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,0,0,0,0,2|1,0,1]=4 4627 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,0,0,0,0,2|1,0,1]=4 4628 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,0,0,0,0,2|2,0,0]=4 4629 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,0,0,0,0,2|1,0,1]=4 4630 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,0,0,0,0,2|1,0,0]=3 4631 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,0,0,0,0,2|1,0,0]=3 4632 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,0,0,0,0,2|0,0,0]=2 4633 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,0,0,0,0,2|0,0,0]=2 4634 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,0,0,0,0,2|1,0,0]=3 4635 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,0,0,0,0,2|1,0,0]=3 4636 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,0,0,0,0,2|1,0,1]=4 4637 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,0,0,0,0,2|1,0,1]=4 4638 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,0,0,0,0,2|0,0,2]=4 4639 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,0,0,0,0,2|0,0,2]=4 4640 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,0,0,0,0,2|2,0,0]=4 4641 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,0,0,0,0,2|0,0,0]=2 4642 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,0,0,0,0,2|0,0,0]=2 4643 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,0,0,0,0,2|1,0,1]=4 4644 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,0,0,0,0,2|1,0,1]=4 4645 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,0,0,0,0,2|0,0,0]=2 4646 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,0,0,0,0,2|0,0,0]=2 4647 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,0,0,0,0,2|1,0,1]=4 4648 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,0,0,0,0,2|1,0,1]=4 4649 B10R0.55 COC(=O)OCSCC(=O)N 62a_100000747473_100000139417 [0,0,0,0,0,2|1,0,0]=3 4650 B10R0.55 COC(=O)OCSCC(=O)[O-] 62a_100020667443_100000139417 [0,0,0,0,0,2|1,0,0]=3 4651 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,0,0,0,0,2|1,0,1]=4 4652 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,0,0,0,0,2|0,0,2]=4 4653 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,0,0,0,0,2|0,0,2]=4 4654 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,0,0,0,0,2|1,0,1]=4 4655 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,0,0,0,0,2|1,0,1]=4 4656 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,0,0,0,0,2|1,0,1]=4 4657 B10R0.55 COC(C)SCCNC(=O)C 62a_100000189650_100009879195 [0,0,0,0,0,2|1,0,1]=4 4658 B10R0.55 COC(C)SCCNC(=O)C 62a_100009879195_100000189650 [0,0,0,0,0,2|1,0,1]=4 4659 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,0,0,0,0,2|1,0,1]=4 4660 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,0,0,0,0,2|1,0,1]=4