0 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.96 C=C(C)CN(C)CCC(=O)C 269982a_100000225649_100000053229 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.96 C=C(C)CN(C)COC(=O)C 269982a_100000225649_100000076356 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100000748629_100009818208 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100009818208_100000211660 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.96 C=C(F)CSC(C)OC(=O)C 62a_100000042424_100009818208 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.96 C=C(F)CSC(C)OC(=O)C 62a_100009818208_100000042424 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,0,0,0,0|1,1,0]=2 8 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100009818208_100020667443 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100020667443_100009818208 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.96 CC(=O)OC(C)SC[N+](=O)[O-] 62a_100009818208_100000761209 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.96 CC(=O)OCC(=O)CC(=O)N 1458a_100000183556_100000187820 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.96 CC(=O)OCC(=O)CC(=O)[O-] 1458a_100000183556_100020667443 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.96 CC(=O)OCN(C)CC(C)O 269982a_100000227577_100000076356 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [0,0,0,0,0,0|3,1,0]=4 32 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [0,0,0,0,0,0|3,1,0]=4 33 B9R0.4 C=CCSC(C)OC(=O)C 62a_100000210623_100009818208 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.4 C=CCSC(C)OC(=O)C 62a_100009818208_100000210623 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [1,0,0,0,0,0|2,0,0]=3 36 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [1,0,0,0,0,0|2,0,0]=3 37 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [1,0,0,0,0,0|1,0,2]=4 45 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.48 C=CCN(C)COC(=O)C 269982a_100000225617_100000076356 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [1,0,0,0,0,0|2,1,0]=4 53 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [1,0,0,0,0,0|2,1,0]=4 54 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [1,0,0,0,0,0|1,0,1]=3 56 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [1,0,0,0,0,0|2,1,0]=4 57 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [1,0,0,0,0,0|2,1,0]=4 58 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [1,0,0,0,0,0|2,1,0]=4 59 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [1,0,0,0,0,0|2,1,0]=4 62 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [1,0,0,0,0,0|2,1,0]=4 64 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [1,0,0,0,0,0|2,1,0]=4 65 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [1,0,0,0,0,0|3,0,0]=4 67 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [1,0,0,0,0,0|3,0,0]=4 68 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,0,0,0,0|2,0,0]=3 72 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,0,0,0,0,0|1,1,0]=3 74 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,0,0,0,0|1,1,0]=3 78 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [1,0,0,0,0,0|2,0,0]=3 86 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [1,0,0,0,0,0|2,0,0]=3 87 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [1,0,0,0,0,0|1,0,0]=2 90 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [1,0,0,0,0,0|1,0,0]=2 91 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [1,0,0,0,0,0|1,0,0]=2 92 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [1,0,0,0,0,0|2,0,1]=4 94 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [1,0,0,0,0,0|1,1,0]=3 98 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [1,0,0,0,0,0|1,1,0]=3 99 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [1,0,0,0,0,0|1,1,0]=3 100 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [1,0,0,0,0,0|1,0,1]=3 103 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [1,0,0,0,0,0|1,1,1]=4 104 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [1,0,0,0,0,0|1,1,1]=4 105 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,0|3,0,0]=4 106 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [1,0,0,0,0,0|2,0,1]=4 111 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [1,0,0,0,0,0|2,0,1]=4 112 B11R0.33 CC(=O)OC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009818208 [0,1,0,0,0,0|3,0,0]=4 113 B11R0.33 CC(=O)OC(C)SC(C)C(=O)C 62a_100009814033_100009818208 [0,1,0,0,0,0|2,0,0]=3 114 B11R0.33 CC(=O)OC(C)SC(C)C(=O)C 62a_100009818208_100009814033 [0,1,0,0,0,0|2,0,0]=3 115 B11R0.33 CC(=O)OC(C)SC(C)C(=O)N 62a_100000702099_100009818208 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.33 CC(=O)OC(C)SC(C)C(=O)N 62a_100009818208_100000702099 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.33 CC(=O)OC(C)SC(F)C(=O)N 62a_100009813875_100009818208 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.33 CC(=O)OC(C)SC(F)C(=O)N 62a_100009818208_100009813875 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.33 CC(=O)OC(C)SC(F)C(=O)[O-] 62a_100009818208_100020610796 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.33 CC(=O)OC(C)SC(F)C(=O)[O-] 62a_100020610796_100009818208 [0,1,0,0,0,0|3,0,0]=4 121 B11R0.93 C#CC(=O)CC(C)CSC(=O)C 1458a_100000211873_200000116872 [0,1,0,0,0,0|1,1,1]=4 122 B11R0.93 C#CC(C)NC(C)COC(=O)C 270004a_100000707721_100000000629 [0,1,0,0,0,0|2,0,1]=4 123 B11R0.93 C=CC(=O)CC(C)CSC(=O)C 1458a_100000185746_200000116872 [0,1,0,0,0,0|1,1,1]=4 124 B11R0.93 CC(=O)OCC(C)N[C@H](C)CF 270004a_100102880703_100000000629 [0,1,0,0,0,0|2,0,1]=4 125 B11R0.93 CC(=O)OCC(C)N[C@H](C)CO 270004a_100000737577_100000000629 [0,1,0,0,0,0|1,0,2]=4 126 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,1,0,0,0,0|1,1,0]=3 127 B11R0.93 CCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747405 [0,1,0,0,0,0|2,0,1]=4 128 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [0,1,0,0,0,0|1,1,0]=3 129 B11R0.93 CCC(C)NC(C)COC(=O)C 270004a_100000209981_100000000629 [0,1,0,0,0,0|2,0,1]=4 130 B11R0.93 CNC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000183359 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.93 COC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747449 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,1,0,0,0,0|3,0,0]=4 133 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [0,1,0,0,0,0|3,0,0]=4 134 B11R0.107 CCC(=O)CSC(C)OC(=O)C 62a_100000747405_100009818208 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.107 CCC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747405 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.107 CNC(=O)CSC(C)OC(=O)C 62a_100000183359_100009818208 [0,1,0,0,0,0|2,0,0]=3 137 B11R0.107 CNC(=O)CSC(C)OC(=O)C 62a_100009818208_100000183359 [0,1,0,0,0,0|2,0,0]=3 138 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100000747449_100009818208 [0,1,0,0,0,0|2,0,0]=3 139 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747449 [0,1,0,0,0,0|2,0,0]=3 140 B11R0.143 C=C(C)CN(CC)COC(=O)C 269982a_100000211296_100000076356 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.143 CC(=O)OCC(CCl)OC(C)C 7a_200000139349_100000210206 [0,1,0,0,0,0|1,0,1]=3 142 B11R0.143 CC(=O)OCN(CO)CC(=O)[O-] 269956a_100016989150_100000076356 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.143 CCN(COC(=O)C)CC(=O)O 269956a_100000746405_100000076356 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.149 C=C(C)CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000748629 [0,1,0,0,0,0|2,0,1]=4 145 B11R0.149 C=C(C)CN(C)C(C)OC(=O)C 269982a_100000225649_100009818208 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.149 CC(=O)OC(C)C(=O)C=C(C)C 1458a_100000211388_100009818208 [0,1,0,0,0,0|2,0,1]=4 147 B11R0.149 CC(=O)OC(C)C(=O)C=C(C)Cl 1458a_200042562850_100009818208 [0,1,0,0,0,0|2,0,1]=4 148 B11R0.149 CC(=O)OC(C)C(=O)C=C(C)I 1458a_100025716642_100009818208 [0,1,0,0,0,0|2,0,1]=4 149 B11R0.149 CC(=O)OC(C)C(=O)CC(=O)N 1458a_100134613110_100009818208 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.149 CC(=O)OC(C)N(C)CC(=O)O 269956a_100000746989_100009818208 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.149 CC(=O)O[C@@H](C)C(=O)CC(=O)N 1458a_100009816467_100000187820 [0,1,0,0,0,0|2,0,1]=4 152 B11R0.149 CC(=O)O[C@@H](C)C(=O)CC(=O)[O-] 1458a_100009816467_100020667443 [0,1,0,0,0,0|2,0,1]=4 153 B11R0.173 CC(=O)OCC(=O)C(C)C(=O)C 1458a_100000183556_100000179758 [0,1,0,0,0,0|2,0,1]=4 154 B11R0.173 CC(=O)OCC(C)N(C)C(C)C 270004a_200000211004_100000000629 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.173 CC(=O)OCN(C)C(C)C(=O)O 269956a_100000749554_100000076356 [0,1,0,0,0,0|3,0,0]=4 156 B11R0.232 CC(=O)NC(C)(C)CNC(=O)N 11a_200011934385_100015343762 [0,1,0,0,0,0|3,0,0]=4 157 B11R0.232 CC(=O)NC(C)(C)CNC(=O)N 1626a_200011934385_100015343762 [0,1,0,0,0,0|3,0,0]=4 158 B11R0.232 CC(=O)NC(C)(C)CNC(=O)N 240690a_200011934385_100015343762 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,1,0,0|2,0,0]=3 160 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,1,0,0|2,0,0]=3 161 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,1,0,0|2,0,0]=3 162 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,1,0,0|2,0,0]=3 163 B11R1.20 CC(C)OC1CCC(=O)CC1 34a_100000764474_100000210206 [0,0,0,1,0,0|2,0,1]=4 164 B11R1.20 CC(C)OC1CCC(=O)CC1 7a_100000764474_100000210206 [0,0,0,1,0,0|2,0,1]=4 165 B11R1.20 CC(C)OC1CCC(=O)NC1 34a_100000079199_100000210206 [0,0,0,1,0,0|2,0,1]=4 166 B11R1.74 CC(=O)N1CC(OC(C1)C)C 11a_100000210032_100015343762 [0,0,0,1,0,0|2,0,1]=4 167 B11R1.74 CC(=O)N1CC(OC(C1)C)C 1626a_100000210032_100015343762 [0,0,0,1,0,0|2,0,1]=4 168 B11R1.74 CC(=O)N1CC(OC(C1)C)C 240690a_100000210032_100015343762 [0,0,0,1,0,0|2,0,1]=4 169 B11R1.74 CC(=O)N1CC(OC(C1)C)C 527a_100000210032_100103153847 [0,0,0,1,0,0|2,0,1]=4 170 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,0,0,1,0,0|3,0,0]=4 171 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,0,0,1,0,0|3,0,0]=4 172 B11R1.75 CC(=O)NCC1CNC(=O)C1 11a_100016993742_100015343762 [0,0,0,1,0,0|3,0,0]=4 173 B11R1.75 CC(=O)NCC1CNC(=O)C1 1626a_100016993742_100015343762 [0,0,0,1,0,0|3,0,0]=4 174 B11R1.75 CC(=O)NCC1CNC(=O)C1 240690a_100016993742_100015343762 [0,0,0,1,0,0|3,0,0]=4 175 B11R1.75 CC(=O)NCC1CNC(=O)C1 527a_100016993742_100103153847 [0,0,0,1,0,0|3,0,0]=4 176 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,0,0,1,0,0|2,0,0]=3 177 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,0,0,1,0,0|2,0,0]=3 178 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,0,0,1,0,0|2,0,0]=3 179 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,0,0,1,0,0|2,0,0]=3 180 B11R1.75 CC(=O)OCC1CCN(C1)C 2230a_100000118262_200000210301 [0,0,0,1,0,0|3,0,0]=4 181 B11R1.75 CC(=O)OCC1CCN(C1)C 269982a_100000118262_200000210301 [0,0,0,1,0,0|3,0,0]=4 182 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 2230a_100000118262_200025704644 [0,0,0,1,0,0|3,0,0]=4 183 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 269982a_100000118262_200025704644 [0,0,0,1,0,0|3,0,0]=4 184 B11R1.75 CC(C)OCC1CCC(=O)N1 34a_100000737831_100000210206 [0,0,0,1,0,0|2,0,1]=4 185 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100000212225_100000181169 [0,0,0,1,0,0|2,0,1]=4 186 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100011315639_100000210206 [0,0,0,1,0,0|2,0,1]=4 187 B11R1.75 CC(C)OCC1COC(=O)O1 34a_100000212225_100000073702 [0,0,0,1,0,0|2,0,1]=4 188 B11R1.167 CC(=O)N1C[C@H](OC[C@H]1C)C 11a_100016991869_100015343762 [0,0,0,1,0,0|2,0,1]=4 189 B11R1.167 CC(=O)N1C[C@H](OC[C@H]1C)C 1626a_100016991869_100015343762 [0,0,0,1,0,0|2,0,1]=4 190 B11R1.167 CC(=O)N1C[C@H](OC[C@H]1C)C 240690a_100016991869_100015343762 [0,0,0,1,0,0|2,0,1]=4 191 B11R1.167 CC(=O)N1C[C@H](OC[C@H]1C)C 527a_100016991869_100103153847 [0,0,0,1,0,0|2,0,1]=4 192 B11R1.743 CC(=O)N1CC(C1)OC(C)C 11a_100000698322_100015343762 [0,0,0,1,0,0|2,0,1]=4 193 B11R1.743 CC(=O)N1CC(C1)OC(C)C 1626a_100000698322_100015343762 [0,0,0,1,0,0|2,0,1]=4 194 B11R1.743 CC(=O)N1CC(C1)OC(C)C 240690a_100000698322_100015343762 [0,0,0,1,0,0|2,0,1]=4 195 B11R1.743 CC(=O)N1CC(C1)OC(C)C 527a_100000698322_100103153847 [0,0,0,1,0,0|2,0,1]=4 196 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 11a_100000716753_100015343762 [0,0,0,1,0,0|2,0,0]=3 197 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 11a_100102955437_100015343762 [0,0,0,1,0,0|2,0,0]=3 198 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 1626a_100102955437_100015343762 [0,0,0,1,0,0|2,0,0]=3 199 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 240690a_100000716753_100015343762 [0,0,0,1,0,0|2,0,0]=3 200 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 240690a_100102955437_100015343762 [0,0,0,1,0,0|2,0,0]=3 201 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 527a_100000716753_100103153847 [0,0,0,1,0,0|2,0,0]=3 202 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 527a_100102955437_100103153847 [0,0,0,1,0,0|2,0,0]=3 203 B11R1.743 CC(=O)OC1CN(C1)C(=O)C 240690a_100016994906_100015343762 [0,0,0,1,0,0|1,0,0]=2 204 B11R1.743 CC(=O)OC1CN(C1)C(=O)C 527a_100016994906_100103153847 [0,0,0,1,0,0|1,0,0]=2 205 B11R1.743 CC(=O)OC1CN(C1)C(C)C 269982a_100016994906_100000210206 [0,0,0,1,0,0|2,0,1]=4 206 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,0,0,0,1,0|3,0,0]=4 207 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,0,0,0,1,0|3,0,0]=4 208 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,0,0,0,1,0|3,0,0]=4 209 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,1,0|2,0,1]=4 210 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,0,0,1,0|1,0,1]=3 211 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,0,0,1,0|1,0,1]=3 212 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,1,0|3,0,0]=4 213 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,1,0|3,0,0]=4 214 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,1,0|3,0,0]=4 215 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,0,0,1,0|3,0,0]=4 216 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,1,0|3,0,0]=4 217 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,1,0|3,0,0]=4 218 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,1,0|3,0,0]=4 219 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,1,0|3,0,0]=4 220 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,1,0|2,0,0]=3 221 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,1,0|3,0,0]=4 222 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,0,0,1,0|3,0,0]=4 223 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,0,0,1,0|3,0,0]=4 224 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,0,0,1,0|3,0,0]=4 225 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,1,0|2,0,0]=3 226 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,0,0,0,1,0|2,0,0]=3 227 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,0,0,0,1,0|2,0,1]=4 228 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,1,0|0,1,0]=2 229 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,1,0|0,1,0]=2 230 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,0,0,1,0|2,0,1]=4 231 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,1,0|2,0,1]=4 232 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,1,0|2,0,1]=4 233 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,1,0|2,0,1]=4 234 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,1,0|2,0,1]=4 235 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,0,0,0,1,0|3,0,0]=4 236 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,0,0,0,1,0|3,0,0]=4 237 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,0,0,0,1,0|3,0,0]=4 238 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,0,0,0,1,0|1,1,1]=4 239 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,0,0,0,1,0|1,1,1]=4 240 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100000730704_100009818208 [0,0,0,0,0,1|2,0,0]=3 241 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100009818208_100000730704 [0,0,0,0,0,1|2,0,0]=3 242 B11R0.6 C=C(C)CN(C)CCOC(=O)C 269982a_100000225649_100009814007 [0,0,0,0,0,1|3,0,0]=4 243 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,0,1|3,0,0]=4 244 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,0,1|3,0,0]=4 245 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100000053229_100009818208 [0,0,0,0,0,1|1,0,0]=2 246 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000053229 [0,0,0,0,0,1|1,0,0]=2 247 B11R0.6 CC(=O)OC(C)NOCC(=O)O 269956a_100000106656_100009818208 [0,0,0,0,0,1|2,0,0]=3 248 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,0,0,0,0,1|2,0,0]=3 249 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,0,0,0,0,1|2,0,0]=3 250 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100000744528_100009818208 [0,0,0,0,0,1|2,0,0]=3 251 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100009818208_100000744528 [0,0,0,0,0,1|2,0,0]=3 252 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [0,0,0,0,0,1|2,0,1]=4 253 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [0,0,0,0,0,1|2,0,1]=4 254 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100009818208_100012276601 [0,0,0,0,0,1|1,0,2]=4 255 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100012276601_100009818208 [0,0,0,0,0,1|1,0,2]=4 256 B11R0.6 CC(=O)OC(C)SCCN(C)C 62a_100009818208_100000755713 [0,0,0,0,0,1|3,0,0]=4 257 B11R0.6 CC(=O)OC(C)SCOC(C)C 62a_100000709892_100009818208 [0,0,0,0,0,1|1,0,1]=3 258 B11R0.6 CC(=O)OC(C)SCOC(C)C 62a_100009818208_100000709892 [0,0,0,0,0,1|1,0,1]=3 259 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,0,0,0,0,1|3,0,0]=4 260 B11R0.6 CC(=O)OCOC(C)C=C(C)C 34a_100000717055_100009813279 [0,0,0,0,0,1|2,0,0]=3 261 B11R0.6 CC(=O)OCOC(C)CC(C)C 34a_100000211805_100009813279 [0,0,0,0,0,1|2,0,1]=4 262 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000076356_100000731052 [0,0,0,0,0,1|2,0,1]=4 263 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000731052_100000076356 [0,0,0,0,0,1|2,0,1]=4 264 B11R0.6 CC(=O)OCSC(C)CN(C)C 62a_100000076356_100020606517 [0,0,0,0,0,1|3,0,0]=4 265 B11R0.6 CC(=O)OCSC(C)CN(C)C 62a_100020606517_100000076356 [0,0,0,0,0,1|3,0,0]=4 266 B11R0.6 CC(=O)OCSC(C)OC(=O)C 62a_100000076356_100009818208 [0,0,0,0,0,1|0,0,0]=1 267 B11R0.6 CC(=O)OCSC(C)OC(=O)C 62a_100009818208_100000076356 [0,0,0,0,0,1|0,0,0]=1 268 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [0,0,0,0,0,1|2,0,1]=4 269 B11R0.85 CC(=O)NN=C(C)COC(=O)C 4a_100000189765_100000000629 [0,0,0,0,0,1|1,0,1]=3 270 B11R0.85 CC(=O)NNC(=O)COC(=O)C 22a_100000189765_100000183556 [0,0,0,0,0,1|2,0,1]=4 271 B11R0.85 CC(=O)OCC(C)NCC(C)C 270004a_100000210953_100000000629 [0,0,0,0,0,1|2,0,1]=4 272 B11R0.85 CC(=O)OCC(C)NCC(C)O 270004a_100000210904_100000000629 [0,0,0,0,0,1|1,0,2]=4 273 B11R0.85 CC(=O)OCC(O)COC(C)C 34a_100000212225_200000139349 [0,0,0,0,0,1|2,0,1]=4 274 B11R0.85 CC(=O)SCC(C)COC(C)C 34a_100000212225_200000116872 [0,0,0,0,0,1|1,1,1]=4 275 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [2,0,0,0,0,0|0,0,2]=4 276 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [2,0,0,0,0,0|0,0,2]=4 277 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [2,0,0,0,0,0|1,0,1]=4 278 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [2,0,0,0,0,0|1,0,1]=4 279 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [2,0,0,0,0,0|1,0,1]=4 280 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [2,0,0,0,0,0|1,0,1]=4 281 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [2,0,0,0,0,0|1,0,1]=4 282 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [2,0,0,0,0,0|1,0,1]=4 283 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [2,0,0,0,0,0|1,0,1]=4 284 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [2,0,0,0,0,0|0,1,1]=4 285 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [2,0,0,0,0,0|0,1,1]=4 286 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [2,0,0,0,0,0|1,0,1]=4 287 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [2,0,0,0,0,0|1,0,0]=3 288 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [2,0,0,0,0,0|1,0,0]=3 289 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [2,0,0,0,0,0|1,0,0]=3 290 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [2,0,0,0,0,0|1,0,0]=3 291 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [2,0,0,0,0,0|1,0,1]=4 292 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|2,0,0]=4 293 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|2,0,0]=4 294 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [2,0,0,0,0,0|2,0,0]=4 295 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [2,0,0,0,0,0|2,0,0]=4 296 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,1]=4 297 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,1]=4 298 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,1]=4 299 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,1]=4 300 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|1,0,1]=4 301 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|1,0,1]=4 302 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|1,0,1]=4 303 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|1,0,1]=4 304 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|1,0,1]=4 305 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|0,0,1]=3 306 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [2,0,0,0,0,0|1,0,1]=4 307 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [2,0,0,0,0,0|1,0,1]=4 308 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|0,1,1]=4 309 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|0,1,1]=4 310 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|2,0,0]=4 311 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|2,0,0]=4 312 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|2,0,0]=4 313 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|2,0,0]=4 314 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|2,0,0]=4 315 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [2,0,0,0,0,0|1,0,1]=4 316 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [2,0,0,0,0,0|1,0,1]=4 317 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [2,0,0,0,0,0|1,0,1]=4 318 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [2,0,0,0,0,0|1,0,1]=4 319 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [2,0,0,0,0,0|1,0,1]=4 320 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [2,0,0,0,0,0|1,0,1]=4 321 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [2,0,0,0,0,0|1,0,1]=4 322 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [2,0,0,0,0,0|1,0,0]=3 323 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [2,0,0,0,0,0|1,0,1]=4 324 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [2,0,0,0,0,0|1,0,0]=3 325 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [2,0,0,0,0,0|1,0,0]=3 326 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [2,0,0,0,0,0|1,0,0]=3 327 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [2,0,0,0,0,0|1,0,0]=3 328 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100009818208_100102629194 [1,1,0,0,0,0|1,0,0]=3 329 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100102629194_100009818208 [1,1,0,0,0,0|1,0,0]=3 330 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100000754431_100009818208 [1,1,0,0,0,0|1,0,1]=4 331 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100009818208_100000754431 [1,1,0,0,0,0|1,0,1]=4 332 B10R0.6 CC#CCSC(C)OC(=O)C 62a_100000748600_100009818208 [1,1,0,0,0,0|1,0,1]=4 333 B10R0.6 CC#CCSC(C)OC(=O)C 62a_100009818208_100000748600 [1,1,0,0,0,0|1,0,1]=4 334 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100000070051_100009818208 [1,1,0,0,0,0|1,0,0]=3 335 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100009818208_100000070051 [1,1,0,0,0,0|1,0,0]=3 336 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,1,0,0,0,0|1,0,1]=4 337 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,1,0,0,0,0|1,0,1]=4 338 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [1,1,0,0,0,0|0,0,1]=3 339 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [1,1,0,0,0,0|0,0,1]=3 340 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [1,1,0,0,0,0|2,0,0]=4 341 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [1,1,0,0,0,0|2,0,0]=4 342 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [1,1,0,0,0,0|2,0,0]=4 343 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [1,1,0,0,0,0|2,0,0]=4 344 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [1,1,0,0,0,0|1,0,1]=4 345 B10R0.27 CC(=O)OCC(CCl)OCF 7a_200000139349_100015361967 [1,1,0,0,0,0|1,0,1]=4 346 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [1,1,0,0,0,0|1,0,1]=4 347 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [1,1,0,0,0,0|1,0,1]=4 348 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [1,1,0,0,0,0|1,0,1]=4 349 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [1,1,0,0,0,0|1,0,1]=4 350 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [1,1,0,0,0,0|0,0,1]=3 351 B10R0.78 C=CCNC(C)COC(=O)C 270004a_100020586998_100000000629 [1,1,0,0,0,0|1,0,1]=4 352 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [1,1,0,0,0,0|1,0,1]=4 353 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,1,0,0,0,0|1,0,1]=4 354 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,1,0,0,0,0|1,0,1]=4 355 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,1,0,0,0,0|1,0,1]=4 356 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,1,0,0,0,0|1,0,1]=4 357 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [1,1,0,0,0,0|0,1,1]=4 359 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [1,1,0,0,0,0|1,0,1]=4 360 B10R0.15 CC(=O)OCCNS(=O)(=O)C 40a_100000724843_100000738038 [1,1,0,0,0,0|2,0,0]=4 361 B10R0.15 CC(=O)OCCOC(C)(C)C 34a_100015890283_100009814007 [1,1,0,0,0,0|1,0,1]=4 362 B10R0.15 CC(=O)OCCOC(C)(C)C 7a_100015890283_100009814007 [1,1,0,0,0,0|1,0,1]=4 363 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [1,1,0,0,0,0|1,0,1]=4 364 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 34a_100009815206_100009814007 [1,1,0,0,0,0|1,0,1]=4 365 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 7a_100009815206_100009814007 [1,1,0,0,0,0|1,0,1]=4 366 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [1,1,0,0,0,0|1,0,1]=4 367 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [1,1,0,0,0,0|1,0,1]=4 368 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [1,1,0,0,0,0|1,0,1]=4 369 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,1,0,0,0,0|2,0,0]=4 370 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [1,1,0,0,0,0|2,0,0]=4 371 B10R0.55 CC(=O)NCCNC(=O)CO 240690a_100000209853_100000210174 [1,1,0,0,0,0|2,0,0]=4 372 B10R0.55 CC(=O)NCCNC(=O)CO 527a_100000209853_100000210174 [1,1,0,0,0,0|2,0,0]=4 373 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [1,1,0,0,0,0|1,0,0]=3 374 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [1,1,0,0,0,0|1,0,0]=3 375 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [1,1,0,0,0,0|1,0,0]=3 376 B10R0.55 CC(=O)OCCOC(C)C#N 34a_100011218135_100009814007 [1,1,0,0,0,0|1,0,1]=4 377 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [1,1,0,0,0,0|1,0,1]=4 378 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [1,1,0,0,0,0|1,0,1]=4 379 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [1,1,0,0,0,0|1,0,1]=4 380 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [1,1,0,0,0,0|1,1,0]=4 381 B10R0.55 CC(=O)SCCNC(=O)CO 240690a_100020647217_100000210174 [1,1,0,0,0,0|1,1,0]=4 382 B10R0.55 CC(=O)SCCNC(=O)CO 527a_100020647217_100000210174 [1,1,0,0,0,0|1,1,0]=4 383 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [1,1,0,0,0,0|1,1,0]=4 384 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|2,0,0]=4 385 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|2,0,0]=4 386 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|1,0,0]=3 387 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [1,1,0,0,0,0|1,1,0]=4 388 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|1,1,0]=4 389 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [1,1,0,0,0,0|2,0,0]=4 390 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [1,1,0,0,0,0|2,0,0]=4 391 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [1,1,0,0,0,0|2,0,0]=4 392 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [1,1,0,0,0,0|2,0,0]=4 393 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [1,1,0,0,0,0|2,0,0]=4 394 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [1,1,0,0,0,0|2,0,0]=4 395 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [1,1,0,0,0,0|2,0,0]=4 396 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [1,1,0,0,0,0|2,0,0]=4 397 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [1,1,0,0,0,0|2,0,0]=4 398 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [1,1,0,0,0,0|1,0,0]=3 399 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [1,1,0,0,0,0|1,0,0]=3 400 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [1,1,0,0,0,0|1,0,0]=3 401 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [1,1,0,0,0,0|1,1,0]=4 402 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [1,1,0,0,0,0|1,1,0]=4 403 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [1,1,0,0,0,0|1,1,0]=4 404 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [1,1,0,0,0,0|1,0,1]=4 405 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [1,1,0,0,0,0|1,0,1]=4 406 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [1,1,0,0,0,0|2,0,0]=4 407 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [1,1,0,0,0,0|2,0,0]=4 408 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [1,1,0,0,0,0|2,0,0]=4 409 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [1,1,0,0,0,0|2,0,0]=4 410 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [1,1,0,0,0,0|2,0,0]=4 411 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [1,1,0,0,0,0|2,0,0]=4 412 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [1,1,0,0,0,0|2,0,0]=4 413 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [1,1,0,0,0,0|2,0,0]=4 414 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [1,1,0,0,0,0|2,0,0]=4 415 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [1,1,0,0,0,0|2,0,0]=4 416 B10R0.55 CNC(=O)NCCNC(=O)C 11a_100015205895_100015343762 [1,1,0,0,0,0|2,0,0]=4 417 B10R0.55 CNC(=O)NCCNC(=O)C 240690a_100015205895_100015343762 [1,1,0,0,0,0|2,0,0]=4 418 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100000209853_106832991635 [1,1,0,0,0,0|2,0,0]=4 419 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100102657272_100000209853 [1,1,0,0,0,0|2,0,0]=4 420 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100000209853_100102657272 [1,1,0,0,0,0|2,0,0]=4 421 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100102657272_100000209853 [1,1,0,0,0,0|2,0,0]=4 422 B10R0.55 CNC(=O)NCCNC(=O)C 512a_100000209853_100102657272 [1,1,0,0,0,0|2,0,0]=4 423 B10R0.55 CNC(=O)NCCNC(=O)C 512a_106832991638_100000209853 [1,1,0,0,0,0|2,0,0]=4 424 B10R0.55 CNC(=O)NCCNC(=O)C 527a_100015205895_100103153847 [1,1,0,0,0,0|2,0,0]=4 425 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [1,1,0,0,0,0|1,0,0]=3 426 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [1,1,0,0,0,0|1,0,0]=3 427 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [1,1,0,0,0,0|1,0,0]=3 428 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [1,1,0,0,0,0|1,0,0]=3 429 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [1,1,0,0,0,0|1,0,0]=3 430 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [1,1,0,0,0,0|1,1,0]=4 431 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [1,1,0,0,0,0|1,1,0]=4 432 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [1,1,0,0,0,0|1,1,0]=4 433 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [1,1,0,0,0,0|1,1,0]=4 434 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [1,1,0,0,0,0|1,1,0]=4 435 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [1,1,0,0,0,0|1,1,0]=4 436 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [1,1,0,0,0,0|1,0,1]=4 437 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,1,0,0,0,0|2,0,0]=4 438 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,1,0,0,0,0|2,0,0]=4 439 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,1,0,0,0,0|2,0,0]=4 440 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [1,1,0,0,0,0|2,0,0]=4 441 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [1,1,0,0,0,0|2,0,0]=4 442 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [1,1,0,0,0,0|2,0,0]=4 443 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [1,1,0,0,0,0|2,0,0]=4 444 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [1,1,0,0,0,0|2,0,0]=4 445 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [1,1,0,0,0,0|1,0,1]=4 446 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [1,1,0,0,0,0|2,0,0]=4 447 B10R0.98 CC(=O)OCOC(C)C(=O)C 34a_100000212229_100009813279 [1,1,0,0,0,0|2,0,0]=4 448 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [1,1,0,0,0,0|2,0,0]=4 449 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [1,1,0,0,0,0|2,0,0]=4 450 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 11a_100000740840_100015343762 [0,1,0,0,1,0|2,0,0]=4 451 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 1626a_100000740840_100015343762 [0,1,0,0,1,0|2,0,0]=4 452 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 240690a_100000740840_100015343762 [0,1,0,0,1,0|2,0,0]=4 453 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 527a_100000740840_100103153847 [0,1,0,0,1,0|2,0,0]=4 454 B10R0.82 C#CC(C)OCC(C)C(=O)C 34a_100000032740_200000035995 [0,1,0,0,1,0|1,0,1]=4 455 B10R0.82 CC(=O)C(C)COC(C)C#N 7a_100000032740_100000703298 [0,1,0,0,1,0|1,0,1]=4 456 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,1,0,0,1,0|0,0,2]=4 457 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,1,0,0,1,0|0,0,2]=4 458 B10R0.82 CC(=O)N(C)CCC(=O)CF 1458a_100011216537_100015361967 [0,1,0,0,1,0|2,0,0]=4 459 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,1,0,0,1,0|2,0,0]=4 460 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,1,0,0,1,0|2,0,0]=4 461 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,1,0,0,1,0|2,0,0]=4 462 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,1,0,0,1,0|1,0,1]=4 463 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,1,0,0,1,0|1,0,1]=4 464 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_100000750875_100015343762 [0,1,0,0,1,0|2,0,0]=4 465 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_106832991635_100011216537 [0,1,0,0,1,0|2,0,0]=4 466 B10R0.82 CNC(=O)CCN(C)C(=O)C 1626a_100102657272_100011216537 [0,1,0,0,1,0|2,0,0]=4 467 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100000750875_100015343762 [0,1,0,0,1,0|2,0,0]=4 468 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100102657272_100011216537 [0,1,0,0,1,0|2,0,0]=4 469 B10R0.82 CNC(=O)CCN(C)C(=O)C 527a_100000750875_100103153847 [0,1,0,0,1,0|2,0,0]=4 470 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,1,0,0,1,0|2,0,0]=4 471 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,1,0,0,1,0|2,0,0]=4 472 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,1,0,0,1,0|2,0,0]=4 473 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,1,0,0,1,0|2,0,0]=4 474 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,1,0,0,1,0|2,0,0]=4 475 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,1,0,0,1,0|2,0,0]=4 476 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,1,0,0,1,0|2,0,0]=4 477 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,1,0,0,1,0|2,0,0]=4 478 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,1,0,0,1,0|2,0,0]=4 479 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,1,0,0,1,0|2,0,0]=4 480 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,1,0,0,1,0|2,0,0]=4 481 B10R0.92 CC(=O)C(C)COC(C)(C)C 34a_100000032740_100000210625 [0,1,0,0,1,0|1,0,1]=4 482 B10R0.93 CC(=O)C(C)SC(C)C(=O)C 62a_100009814033_100009814033 [0,1,0,0,1,0|2,0,0]=4 483 B10R0.165 CC(=O)CC(C)(C)OC(C)C 7a_100000210262_100000210206 [0,1,0,0,1,0|1,0,1]=4 484 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 11a_100000763158_100015343762 [0,1,0,0,1,0|2,0,0]=4 485 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 1626a_100000763158_100015343762 [0,1,0,0,1,0|2,0,0]=4 486 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 240690a_100000763158_100015343762 [0,1,0,0,1,0|2,0,0]=4 487 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 527a_100000763158_100103153847 [0,1,0,0,1,0|2,0,0]=4 488 B12R0.3 CC(=O)OC(C)SC(C)OC(=O)C 62a_100009818208_100009818208 [0,1,0,0,0,1|0,0,0]=2 489 B12R0.66 CC(=O)OC(C)SCCS(=O)(=O)C 62a_100000731031_100009818208 [0,1,0,0,0,1|2,0,0]=4 490 B12R0.66 CC(=O)OC(C)SCCS(=O)(=O)C 62a_100009818208_100000230027 [0,1,0,0,0,1|2,0,0]=4 491 B12R0.240 COC(=O)CC(C)OCCC(=O)C 34a_100000759926_100009817358 [0,1,0,0,0,1|2,0,0]=4 492 B12R0.240 COC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817358 [0,1,0,0,0,1|2,0,0]=4 493 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817358 [0,1,0,0,0,1|2,0,0]=4 494 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100009817358_100000053229 [0,1,0,0,0,1|2,0,0]=4 495 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100000076356_100009817358 [0,1,0,0,0,1|1,0,0]=3 496 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100009817358_100000076356 [0,1,0,0,0,1|1,0,0]=3 497 B12R0.240 COC(=O)C[C@@H](O)COCC(=O)C 34a_100000211253_100000754131 [0,1,0,0,0,1|2,0,0]=4 498 B12R0.241 CNC(=O)CCSC(C)OC(=O)C 62a_100000737683_100009818208 [0,1,0,0,0,1|1,0,0]=3 499 B12R0.241 CNC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000737683 [0,1,0,0,0,1|1,0,0]=3 500 B12R0.241 COC(=O)CCSC(C)OC(=O)C 62a_100000204255_100009818208 [0,1,0,0,0,1|1,0,0]=3 501 B12R0.241 COC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000204255 [0,1,0,0,0,1|1,0,0]=3 502 B12R0.241 COC(=O)OCSC(C)OC(=O)C 62a_100009818208_100000139417 [0,1,0,0,0,1|0,0,0]=2 503 B12R0.258 C=C(C)CCC(=O)C(C)OC(=O)C 1458a_200000688413_100009818208 [0,1,0,0,0,1|2,0,0]=4 504 B12R0.258 C=C(C)CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000730704 [0,1,0,0,0,1|2,0,0]=4 505 B12R0.258 CC(=O)NCC(=O)C(C)OC(=O)C 1458a_100000194580_100009818208 [0,1,0,0,0,1|1,0,0]=3 506 B12R0.258 CC(=O)OC(C)C(=O)CC=C(C)C 1458a_100011220947_100009818208 [0,1,0,0,0,1|2,0,0]=4 507 B12R0.258 CC(=O)OC(C)C(=O)CCC(=O)N 1458a_100011215257_100009818208 [0,1,0,0,0,1|2,0,0]=4 508 B12R0.258 CC(=O)OC(C)C(=O)CNC(=O)N 1458a_100000184981_100009818208 [0,1,0,0,0,1|2,0,0]=4 509 B12R0.258 CC(=O)OC(C)C(=O)COC(C)C 1458a_100000745533_100009818208 [0,1,0,0,0,1|1,0,1]=4 510 B12R0.258 CC(=O)OC(C)C(=O)CSC(=O)C 1458a_100000049016_100009818208 [0,1,0,0,0,1|0,1,0]=3 511 B12R0.258 CC(=O)OCC(=O)C(C)OC(=O)C 1458a_100000183556_100009818208 [0,1,0,0,0,1|0,0,0]=2 512 B12R0.258 CC(=O)O[C@@H](C)C(=O)CC=C(C)C 1458a_100009816467_100000761012 [0,1,0,0,0,1|2,0,0]=4 513 B12R0.535 CC(=O)OCN[C@H](CO)CC(=O)O 269956a_100009816507_100000076356 [0,1,0,0,0,1|2,0,0]=4 514 B12R0.535 CC[C@H](CC(=O)O)NCOC(=O)C 269956a_100016995926_100000076356 [0,1,0,0,0,1|2,0,0]=4 515 B12R0.686 CC(=O)OCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100009813279 [0,1,0,0,0,1|2,0,0]=4 516 B12R0.687 CC(=O)OC(C)NCC(C)C(=O)O 269956a_100000749485_100009818208 [0,1,0,0,0,1|2,0,0]=4 517 B12R0.687 CC(=O)OC(C)NCC(F)C(=O)O 269956a_100000084737_100009818208 [0,1,0,0,0,1|2,0,0]=4 518 B12R0.687 CC(=O)OC(C)SCC(=O)C(=O)C 62a_100009818208_100011261029 [0,1,0,0,0,1|1,0,0]=3 519 B12R0.687 CC(=O)OC(C)SCC(=O)C(=O)C 62a_100011261029_100009818208 [0,1,0,0,0,1|1,0,0]=3 520 B12R0.697 CC(=O)CCOC(C)(C)CC(=O)C 7a_100000210262_100000053229 [0,1,0,0,0,1|2,0,0]=4 521 B12R0.697 CC(=O)OCNC(C)(C)CC(=O)O 269956a_100000755897_100000076356 [0,1,0,0,0,1|2,0,0]=4 522 B12R0.139 CC(=O)OCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000000629 [0,1,0,0,0,1|2,0,0]=4 523 B12R0.189 CCC(=O)NN=C(C)COC(=O)C 4a_100000183195_100000000629 [0,1,0,0,0,1|1,0,1]=4 524 B12R0.189 CNC(=O)CCN(C)COC(=O)C 269982a_100000750875_100000076356 [0,1,0,0,0,1|2,0,0]=4 525 B12R0.189 CNC(=O)CNC(C)COC(=O)C 270004a_100000693194_100000000629 [0,1,0,0,0,1|1,0,0]=3 526 B12R0.189 COC(=O)CCN(C)COC(=O)C 269982a_100025711912_100000076356 [0,1,0,0,0,1|2,0,0]=4 527 B12R0.540 C=C(C)COC(CCl)COC(=O)C 7a_200000139349_100000748629 [0,1,0,0,0,1|1,0,0]=3 528 B12R0.540 C=C(F)COC(CCl)COC(=O)C 7a_200000139349_100000042424 [0,1,0,0,0,1|1,0,1]=4 529 B12R0.540 CC(=O)OCC(CCl)OCC(=O)N 7a_200000139349_100000187820 [0,1,0,0,0,1|1,0,0]=3 530 B12R0.540 CC(=O)OCC(CCl)OCC(C)C 7a_200000139349_100000210760 [0,1,0,0,0,1|1,0,1]=4 531 B12R0.540 CC(=O)OCC(CCl)OCC(C)O 7a_200000139349_100011218427 [0,1,0,0,0,1|0,0,2]=4 532 B12R0.540 CC(=O)OCC(CCl)OC[C@@H](C)O 7a_200000139349_100009817552 [0,1,0,0,0,1|0,0,2]=4 533 B12R0.540 CC(=O)OCC(COC(=O)C)O[13CH3] 7a_100000047218_200025704644 [0,1,0,0,0,1|0,0,0]=2 534 B12R0.540 CNC(COC(=O)C)COC(=O)C 270004a_106832991635_100000000637 [0,1,0,0,0,1|0,0,0]=2 535 B12R0.540 COC(COC(=O)C)COC(=O)C 7a_100000047218_200000210301 [0,1,0,0,0,1|0,0,0]=2 536 B12R0.64 CC(=O)O[C@@H](C)C(=O)C(C)C(=O)C 1458a_100009816467_100000179758 [0,2,0,0,0,0|1,0,1]=4 537 B12R0.315 CC(=O)OC(C)SC(C)(C)C(=O)C 62a_100000075568_100009818208 [0,2,0,0,0,0|2,0,0]=4 538 B12R0.315 CC(=O)OC(C)SC(C)(C)C(=O)C 62a_100009818208_100000075568 [0,2,0,0,0,0|2,0,0]=4 539 B12R0.563 CCC(=O)C(C)SC(C)OC(=O)C 62a_100000742827_100009818208 [0,2,0,0,0,0|2,0,0]=4 540 B12R0.563 CCC(=O)C(C)SC(C)OC(=O)C 62a_100009818208_100000742827 [0,2,0,0,0,0|2,0,0]=4 541 B12R0.563 CNC(=O)C(C)SC(C)OC(=O)C 62a_100000209862_100009818208 [0,2,0,0,0,0|2,0,0]=4 542 B12R0.563 CNC(=O)C(C)SC(C)OC(=O)C 62a_100009818208_100000731044 [0,2,0,0,0,0|2,0,0]=4 543 B12R0.563 CNC(=O)C(F)SC(C)OC(=O)C 62a_100009813575_100009818208 [0,2,0,0,0,0|2,0,0]=4 544 B12R0.563 CNC(=O)C(F)SC(C)OC(=O)C 62a_100009818208_100009813575 [0,2,0,0,0,0|2,0,0]=4 545 B12R0.563 COC(=O)C(C)SC(C)OC(=O)C 62a_100000211248_100009818208 [0,2,0,0,0,0|2,0,0]=4 546 B12R0.563 COC(=O)C(C)SC(C)OC(=O)C 62a_100009818208_100000211248 [0,2,0,0,0,0|2,0,0]=4 547 B12R0.88 COC(=O)C(C)N(C)COC(=O)C 269982a_100000725243_100000076356 [0,2,0,0,0,0|2,0,0]=4 548 B12R0.154 CC(=O)OCC(CCl)OC(C)C#N 7a_200000139349_100000703298 [0,2,0,0,0,0|1,0,1]=4 549 B12R0.154 CC(=O)OCC(CCl)OC(C)CO 7a_200000139349_100012180447 [0,2,0,0,0,0|0,0,2]=4 550 B12R0.154 CCC(C)OC(CCl)COC(=O)C 7a_200000139349_100000758301 [0,2,0,0,0,0|1,0,1]=4 551 B12R0.235 CCC(=O)CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000747405 [0,2,0,0,0,0|1,0,1]=4 552 B12R0.235 CNC(=O)CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000183359 [0,2,0,0,0,0|1,0,1]=4 553 B12R0.235 COC(=O)CC(=O)C(C)OC(=O)C 1458a_100000211351_100009818208 [0,2,0,0,0,0|1,0,1]=4 554 B12R0.235 COC(=O)CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000747449 [0,2,0,0,0,0|1,0,1]=4 555 B12R0.283 C#CCC(=O)CC(C)CSC(=O)C 1458a_100011220946_200000116872 [0,2,0,0,0,0|1,1,0]=4 556 B12R0.283 C=CCC(=O)CC(C)CSC(=O)C 1458a_100000210193_200000116872 [0,2,0,0,0,0|1,1,0]=4 557 B12R0.283 CC#CC(=O)CC(C)CSC(=O)C 1458a_100000763181_200000116872 [0,2,0,0,0,0|1,1,0]=4 558 B12R0.283 CC(=O)SCC(C)CC(=O)CC#N 1458a_100051588842_200000116872 [0,2,0,0,0,0|1,1,0]=4 559 B12R0.283 CC(=O)SCC(C)CC(=O)CCO 1458a_100011216618_200000116872 [0,2,0,0,0,0|1,1,0]=4 560 B12R0.283 CC=CC(=O)CC(C)CSC(=O)C 1458a_100000210699_200000116872 [0,2,0,0,0,0|1,1,0]=4 561 B12R0.283 CCCC(=O)CC(C)CSC(=O)C 1458a_100000211992_200000116872 [0,2,0,0,0,0|1,1,0]=4 562 B12R0.283 CCNC(=O)CN(C)COC(=O)C 269982a_100000741943_100000076356 [0,2,0,0,0,0|2,0,0]=4 563 B12R0.283 COCC(=O)CC(C)CSC(=O)C 1458a_100000210968_200000116872 [0,2,0,0,0,0|1,1,0]=4 564 B12R0.283 CSCC(=O)CC(C)CSC(=O)C 1458a_100000184570_200000116872 [0,2,0,0,0,0|1,1,0]=4 565 B12R0.272 CC(=O)OC(C)SCC(=O)NCO 62a_100000185155_100009818208 [0,2,0,0,0,0|2,0,0]=4 566 B12R0.272 CC(=O)OC(C)SCC(=O)NCO 62a_100009818208_100000185155 [0,2,0,0,0,0|2,0,0]=4 567 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100000747444_100009818208 [0,2,0,0,0,0|2,0,0]=4 568 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747444 [0,2,0,0,0,0|2,0,0]=4 569 B12R0.272 CCNC(=O)CSC(C)OC(=O)C 62a_100000183381_100009818208 [0,2,0,0,0,0|2,0,0]=4 570 B12R0.272 CCNC(=O)CSC(C)OC(=O)C 62a_100009818208_100000183381 [0,2,0,0,0,0|2,0,0]=4 571 B12R0.272 CCOC(=O)CSC(C)OC(=O)C 62a_100000188475_100009818208 [0,2,0,0,0,0|2,0,0]=4 572 B12R0.272 CCOC(=O)CSC(C)OC(=O)C 62a_100009818208_100000188475 [0,2,0,0,0,0|2,0,0]=4 573 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 11a_200015186247_100015343762 [0,2,0,0,0,0|2,0,0]=4 574 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 1626a_200015186247_100015343762 [0,2,0,0,0,0|2,0,0]=4 575 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 240690a_200015186247_100015343762 [0,2,0,0,0,0|2,0,0]=4 576 B12R0.505 CNC(=O)CCC(C)(C)NC(=O)C 527a_200015186247_100103153847 [0,2,0,0,0,0|2,0,0]=4 577 B12R0.52 CC(=O)NC[C@@H](CS[13CH3])OC(=O)C 62a_100016989752_200025704644 [0,2,0,0,0,0|1,0,0]=3 578 B12R0.52 CC(=O)NC[C@@H](CS[13CH3])OC(=O)C 62a_200025704644_100016989752 [0,2,0,0,0,0|1,0,0]=3 579 B12R0.52 CC(=O)OCC(CO[13CH3])OC(=O)C 7a_200000073891_200025704644 [0,2,0,0,0,0|0,0,0]=2 580 B12R0.52 CC(=O)OCC(CS[13CH3])OC(=O)C 62a_100009892962_200025704644 [0,2,0,0,0,0|0,0,0]=2 581 B12R0.52 CC(=O)OCC(CS[13CH3])OC(=O)C 62a_200025704644_100009892962 [0,2,0,0,0,0|0,0,0]=2 582 B12R0.52 CNCC(COC(=O)C)OC(=O)C 34a_100102657272_100009892962 [0,2,0,0,0,0|0,0,0]=2 583 B12R0.52 CNC[C@H](CNC(=O)C)OC(=O)C 2230a_106832991635_100016989752 [0,2,0,0,0,0|1,0,0]=3 584 B12R0.52 CNC[C@H](CNC(=O)C)OC(=O)C 34a_100102657272_100016989752 [0,2,0,0,0,0|1,0,0]=3 585 B12R0.52 CNC[C@H](CNC(=O)C)OC(=O)C 7a_106832991635_100016989752 [0,2,0,0,0,0|1,0,0]=3 586 B12R0.52 COCC(COC(=O)C)OC(=O)C 34a_100138415774_100009892962 [0,2,0,0,0,0|0,0,0]=2 587 B12R0.52 COCC(COC(=O)C)OC(=O)C 7a_200000073891_200000210301 [0,2,0,0,0,0|0,0,0]=2 588 B12R0.52 COC[C@H](CNC(=O)C)OC(=O)C 34a_100138415774_100016989752 [0,2,0,0,0,0|1,0,0]=3 589 B12R0.52 CSCC(COC(=O)C)OC(=O)C 62a_100009892962_200000210301 [0,2,0,0,0,0|0,0,0]=2 590 B12R0.52 CSCC(COC(=O)C)OC(=O)C 62a_200000210301_100009892962 [0,2,0,0,0,0|0,0,0]=2 591 B12R0.52 CSC[C@H](CNC(=O)C)OC(=O)C 62a_100016989752_200000210301 [0,2,0,0,0,0|1,0,0]=3 592 B12R0.52 CSC[C@H](CNC(=O)C)OC(=O)C 62a_200000210301_100016989752 [0,2,0,0,0,0|1,0,0]=3 593 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)C 1458a_200015188492_200000210301 [0,2,0,0,0,0|1,1,0]=4 594 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)[13CH3] 1458a_200015188492_200025704644 [0,2,0,0,0,0|1,1,0]=4 595 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|1,0,1]=4 596 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [1,0,0,1,0,0|1,0,1]=4 597 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [1,0,0,1,0,0|1,0,1]=4 598 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|1,0,1]=4 599 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|1,0,1]=4 600 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|1,0,1]=4 601 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,1,0,0|1,0,1]=4 602 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,1,0,0|1,0,1]=4 603 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,1,0,0|1,0,1]=4 604 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,1,0,0|1,0,1]=4 605 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|1,0,1]=4 606 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [1,0,0,1,0,0|2,0,0]=4 607 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [1,0,0,1,0,0|2,0,0]=4 608 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [1,0,0,1,0,0|2,0,0]=4 609 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [1,0,0,1,0,0|2,0,0]=4 610 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [1,0,0,1,0,0|2,0,0]=4 611 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [1,0,0,1,0,0|2,0,0]=4 612 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [1,0,0,1,0,0|1,0,1]=4 613 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [1,0,0,1,0,0|1,0,1]=4 614 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [1,0,0,1,0,0|1,0,1]=4 615 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [1,0,0,1,0,0|1,0,1]=4 616 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [1,0,0,1,0,0|1,0,1]=4 617 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [1,0,0,1,0,0|1,0,1]=4 618 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [1,0,0,1,0,0|1,0,1]=4 619 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [1,0,0,1,0,0|1,0,1]=4 620 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [1,0,0,1,0,0|1,0,1]=4 621 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [1,0,0,1,0,0|1,0,1]=4 622 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,1,0,0|1,0,1]=4 623 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [1,0,0,1,0,0|1,0,0]=3 624 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,1]=4 625 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|1,0,1]=4 626 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|1,0,1]=4 627 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|1,0,1]=4 628 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|1,0,1]=4 629 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,1]=4 630 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [1,0,0,1,0,0|1,0,1]=4 631 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [1,0,0,1,0,0|1,0,1]=4 632 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [1,0,0,1,0,0|1,0,1]=4 633 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [1,0,0,1,0,0|1,0,1]=4 634 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [1,0,0,1,0,0|1,0,1]=4 635 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [1,0,0,1,0,0|1,0,1]=4 636 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [1,0,0,1,0,0|1,0,1]=4 637 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [1,0,0,1,0,0|1,0,1]=4 638 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [1,0,0,1,0,0|2,0,0]=4 639 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [1,0,0,1,0,0|2,0,0]=4 640 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,1,1,0|2,0,0]=4 641 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,1,1,0|2,0,0]=4 642 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,1,1,0|2,0,0]=4 643 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,1,0|1,0,0]=3 644 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,1,1,0|2,0,0]=4 645 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,1,0|1,0,0]=3 646 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,0,0,1,1,0|2,0,0]=4 647 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,0,0,1,1,0|2,0,0]=4 648 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,1,0|1,0,0]=3 649 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,0,0,1,1,0|2,0,0]=4 650 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,0,0,1,1,0|1,0,1]=4 651 B10R1.349 CC(=O)C1CN(C1)C(=O)C 1458a_100000754717_200000210301 [0,0,0,1,1,0|1,0,0]=3 652 B10R1.349 CC(=O)N1CC(C1)C(=O)N 240690a_100025753142_100015343762 [0,0,0,1,1,0|2,0,0]=4 653 B10R1.349 CC(=O)N1CC(C1)C(=O)N 527a_100025753142_100103153847 [0,0,0,1,1,0|2,0,0]=4 654 B10R1.349 CC(=O)N1CC(C1)C(=O)[13CH3] 1458a_100000754717_200025704644 [0,0,0,1,1,0|1,0,0]=3 655 B12R1.103 CC(=O)O[C@@H](C)c1nc(no1)C 270196a_100000212224_100009816467 [0,0,0,1,0,1|1,0,1]=4 656 B12R1.105 C=C(C)COCC1CCC(=O)N1 34a_100000737831_100000748629 [0,0,0,1,0,1|2,0,0]=4 657 B12R1.105 C=C(C)COCC1CNC(=O)O1 34a_100000210245_100000181169 [0,0,0,1,0,1|2,0,0]=4 658 B12R1.105 C=C(C)COCC1CNC(=O)O1 34a_100011315639_100000748629 [0,0,0,1,0,1|2,0,0]=4 659 B12R1.105 C=C(C)COCC1COC(=O)O1 34a_100000210245_100000073702 [0,0,0,1,0,1|2,0,0]=4 660 B12R1.105 CC(=O)CCOC1COC(=O)O1 34a_100000759926_100000032252 [0,0,0,1,0,1|2,0,0]=4 661 B12R1.105 CC(=O)CCSC1COC(=O)O1 62a_100000053229_100000032252 [0,0,0,1,0,1|2,0,0]=4 662 B12R1.105 CC(=O)COCC1CNC(=O)O1 34a_100000211253_100000181169 [0,0,0,1,0,1|1,0,0]=3 663 B12R1.105 CC(=O)COCC1COC(=O)O1 34a_100000211253_100000073702 [0,0,0,1,0,1|1,0,0]=3 664 B12R1.105 CC(=O)COC[C@H]1COC(=O)N1 34a_100000211253_100015307671 [0,0,0,1,0,1|2,0,0]=4 665 B12R1.105 CC(=O)OCOC1CCC(=O)C1 34a_100012614533_100009813279 [0,0,0,1,0,1|1,0,0]=3 666 B12R1.105 CC(=O)OCOC1CNC(=O)C1 34a_100000690082_100009813279 [0,0,0,1,0,1|2,0,0]=4 667 B12R1.105 CC(=O)OCSC1COC(=O)O1 62a_100000076356_100000032252 [0,0,0,1,0,1|1,0,0]=3 668 B12R1.105 NC(=O)COCC1CCC(=O)N1 34a_100000737831_100000187820 [0,0,0,1,0,1|2,0,0]=4 669 B12R1.105 NC(=O)COCC1CNC(=O)O1 34a_100011315639_100000187820 [0,0,0,1,0,1|2,0,0]=4 670 B12R1.105 O=C([O-])COCC1CCC(=O)N1 34a_100000737831_100020667443 [0,0,0,1,0,1|2,0,0]=4 671 B12R1.105 O=C([O-])COCC1CNC(=O)O1 34a_100011315639_100020667443 [0,0,0,1,0,1|2,0,0]=4 672 B12R1.389 CC(=O)NC1CCN(C1)C(=O)C 11a_100000705975_100015343762 [0,0,0,1,0,1|2,0,0]=4 673 B12R1.389 CC(=O)NC1CCN(C1)C(=O)C 1626a_100000705975_100015343762 [0,0,0,1,0,1|2,0,0]=4 674 B12R1.389 CC(=O)NC1CCN(C1)C(=O)C 240690a_100000705975_100015343762 [0,0,0,1,0,1|2,0,0]=4 675 B12R1.389 CC(=O)NC1CCN(C1)C(=O)C 527a_100000705975_100103153847 [0,0,0,1,0,1|2,0,0]=4 676 B12R1.389 CC(=O)N[C@H]1CCN(C1)C(=O)C 11a_100016989438_100015343762 [0,0,0,1,0,1|2,0,0]=4 677 B12R1.389 CC(=O)N[C@H]1CCN(C1)C(=O)C 1626a_100016989438_100015343762 [0,0,0,1,0,1|2,0,0]=4 678 B12R1.389 CC(=O)N[C@H]1CCN(C1)C(=O)C 240690a_100016989438_100015343762 [0,0,0,1,0,1|2,0,0]=4 679 B12R1.389 CC(=O)N[C@H]1CCN(C1)C(=O)C 527a_100016989438_100103153847 [0,0,0,1,0,1|2,0,0]=4 680 B12R1.1061 CC(=O)OC(C)SC1CC(=O)C1 62a_100009894365_100009818208 [0,0,0,1,0,1|1,0,0]=3 681 B12R1.1394 C=C(C)CN1CC(C1)OC(=O)C 269982a_100016994906_100000748629 [0,0,0,1,0,1|2,0,0]=4 682 B12R1.1394 CC(=O)OC1CN(C1)CC(=O)N 269982a_100016994906_100000187820 [0,0,0,1,0,1|2,0,0]=4 683 B12R1.1394 CC(=O)OC1CN(C1)CC(=O)[O-] 269982a_100016994906_100020667443 [0,0,0,1,0,1|2,0,0]=4 684 B12R1.21 C=C(C)COC1CCC(=O)CC1 34a_100000764474_100000748629 [0,0,0,1,0,1|2,0,0]=4 685 B12R1.21 C=C(C)COC1CCC(=O)CC1 7a_100000764474_100000748629 [0,0,0,1,0,1|2,0,0]=4 686 B12R1.21 C=C(C)COC1CCC(=O)NC1 34a_100000079199_100000748629 [0,0,0,1,0,1|2,0,0]=4 687 B12R1.21 NC(=O)COC1CCC(=O)CC1 34a_100000764474_100000187820 [0,0,0,1,0,1|2,0,0]=4 688 B12R1.21 NC(=O)COC1CCC(=O)CC1 7a_100000764474_100000187820 [0,0,0,1,0,1|2,0,0]=4 689 B12R1.21 NC(=O)COC1CCC(=O)NC1 34a_100000079199_100000187820 [0,0,0,1,0,1|2,0,0]=4 690 B12R1.21 O=C([O-])COC1CCC(=O)CC1 34a_100000764474_100020667443 [0,0,0,1,0,1|2,0,0]=4 691 B12R1.21 O=C([O-])COC1CCC(=O)NC1 34a_100000079199_100020667443 [0,0,0,1,0,1|2,0,0]=4 692 B12R1.3799 CC(=O)NCC1(CC(=NO1)C)C 11a_100015186269_100015343762 [0,0,0,1,0,1|2,0,0]=4 693 B12R1.3799 CC(=O)NCC1(CC(=NO1)C)C 1626a_100015186269_100015343762 [0,0,0,1,0,1|2,0,0]=4 694 B12R1.3799 CC(=O)NCC1(CC(=NO1)C)C 240690a_100015186269_100015343762 [0,0,0,1,0,1|2,0,0]=4 695 B12R1.3799 CC(=O)NCC1(CC(=NO1)C)C 527a_100015186269_100103153847 [0,0,0,1,0,1|2,0,0]=4 696 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 11a_100011935005_100015343762 [0,1,0,1,0,0|2,0,0]=4 697 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 1626a_100011935005_100015343762 [0,1,0,1,0,0|2,0,0]=4 698 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 240690a_100011935005_100015343762 [0,1,0,1,0,0|2,0,0]=4 699 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 527a_100011935005_100103153847 [0,1,0,1,0,0|2,0,0]=4 700 B12R1.152 CC(=O)OC(C)SC1CCC1=O 62a_100009818208_100009892977 [0,1,0,1,0,0|2,0,0]=4 701 B12R1.152 CC(=O)OC(C)SC1CCC1=O 62a_100009892977_100009818208 [0,1,0,1,0,0|2,0,0]=4 702 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 11a_100016994881_100015343762 [0,1,0,1,0,0|2,0,0]=4 703 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 1626a_100016994881_100015343762 [0,1,0,1,0,0|2,0,0]=4 704 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 240690a_100016994881_100015343762 [0,1,0,1,0,0|2,0,0]=4 705 B12R1.232 CC(=O)N1CC(=O)N(C[C@@H]1C)C 527a_100016994881_100103153847 [0,1,0,1,0,0|2,0,0]=4 706 B12R1.1381 CC(=O)N1CC(C1)OS(=O)(=O)C 11a_100102886914_100015343762 [0,1,0,1,0,0|2,0,0]=4 707 B12R1.1381 CC(=O)N1CC(C1)OS(=O)(=O)C 1626a_100102886914_100015343762 [0,1,0,1,0,0|2,0,0]=4 708 B12R1.1381 CC(=O)N1CC(C1)OS(=O)(=O)C 240690a_100102886914_100015343762 [0,1,0,1,0,0|2,0,0]=4 709 B12R1.1381 CC(=O)N1CC(C1)OS(=O)(=O)C 527a_100102886914_100103153847 [0,1,0,1,0,0|2,0,0]=4 710 B12R1.49 CCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 711 B12R1.49 CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 712 B12R1.49 CCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 713 B12R1.49 CCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 714 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100000748762_106832991635 [0,1,0,1,0,0|2,0,0]=4 715 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100102657272_100000748762 [0,1,0,1,0,0|2,0,0]=4 716 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100000748762_100102657272 [0,1,0,1,0,0|2,0,0]=4 717 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100102657272_100000748762 [0,1,0,1,0,0|2,0,0]=4 718 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_100000748762_100102657272 [0,1,0,1,0,0|2,0,0]=4 719 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_106832991638_100000748762 [0,1,0,1,0,0|2,0,0]=4 720 B12R1.49 O=C1CCC(CN1)NC(=O)CO 240690a_100000748762_100000210174 [0,1,0,1,0,0|2,0,0]=4 721 B12R1.49 O=C1CCC(CN1)NC(=O)CO 527a_100000748762_100000210174 [0,1,0,1,0,0|2,0,0]=4 722 B12R1.1749 CC(=O)N1CC(C1)NC(=O)CO 240690a_100102955437_100000210174 [0,1,0,1,0,0|2,0,0]=4 723 B12R1.1749 CC(=O)N1CC(C1)NC(=O)CO 527a_100102955437_100000210174 [0,1,0,1,0,0|2,0,0]=4 724 B12R1.1749 CCC(=O)NC1CN(C1)C(=O)C 11a_100102955437_100000210414 [0,1,0,1,0,0|2,0,0]=4 725 B12R1.1749 CCC(=O)NC1CN(C1)C(=O)C 1626a_100102955437_100000210414 [0,1,0,1,0,0|2,0,0]=4 726 B12R1.1749 CCC(=O)NC1CN(C1)C(=O)C 240690a_100102955437_100000210414 [0,1,0,1,0,0|2,0,0]=4 727 B12R1.1749 CCC(=O)NC1CN(C1)C(=O)C 527a_100102955437_100000210414 [0,1,0,1,0,0|2,0,0]=4 728 B12R1.1749 CNC(=O)NC1CN(C1)C(=O)C 2708a_100102657272_100102955437 [0,1,0,1,0,0|2,0,0]=4 729 B12R1.1749 CNC(=O)NC1CN(C1)C(=O)C 2708a_100102955437_106832991635 [0,1,0,1,0,0|2,0,0]=4 730 B12R1.1749 CNC(=O)NC1CN(C1)C(=O)C 273464a_100102955437_100102657272 [0,1,0,1,0,0|2,0,0]=4 731 B12R1.1749 CNC(=O)NC1CN(C1)C(=O)C 512a_100102955437_100102657272 [0,1,0,1,0,0|2,0,0]=4 732 B12R1.1749 CNC(=O)NC1CN(C1)C(=O)C 512a_106832991638_100102955437 [0,1,0,1,0,0|2,0,0]=4 733 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 11a_100016993681_100015343762 [0,1,0,1,0,0|2,0,0]=4 734 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 1626a_100016993681_100015343762 [0,1,0,1,0,0|2,0,0]=4 735 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 240690a_100016993681_100015343762 [0,1,0,1,0,0|2,0,0]=4 736 B12R1.1749 COC(=O)CC1CN(C1)C(=O)C 527a_100016993681_100103153847 [0,1,0,1,0,0|2,0,0]=4 737 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 738 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 739 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 740 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 741 B12R1.26 CNC(=O)NC[C@H]1CCC(=O)N1 2708a_100015423886_106832991635 [0,1,0,1,0,0|2,0,0]=4 742 B12R1.26 CNC(=O)NC[C@H]1CCC(=O)N1 2708a_100102657272_100015423886 [0,1,0,1,0,0|2,0,0]=4 743 B12R1.26 CNC(=O)NC[C@H]1CCC(=O)N1 273464a_100015423886_100102657272 [0,1,0,1,0,0|2,0,0]=4 744 B12R1.26 CNC(=O)NC[C@H]1CCC(=O)N1 273464a_100102657272_100015423886 [0,1,0,1,0,0|2,0,0]=4 745 B12R1.26 CNC(=O)NC[C@H]1CCC(=O)N1 512a_106832991638_100015423886 [0,1,0,1,0,0|2,0,0]=4 746 B12R1.26 O=C(CO)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210174 [0,1,0,1,0,0|2,0,0]=4 747 B12R1.26 O=C(CO)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210174 [0,1,0,1,0,0|2,0,0]=4 748 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 11a_102125656889_100015343762 [0,1,0,1,0,0|2,0,0]=4 749 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 1626a_102125656889_100015343762 [0,1,0,1,0,0|2,0,0]=4 750 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 240690a_102125656889_100015343762 [0,1,0,1,0,0|2,0,0]=4 751 B12R1.1236 CC(=O)N1CCC(=O)NC[C@@H]1C 527a_102125656889_100103153847 [0,1,0,1,0,0|2,0,0]=4 752 B12R1.1663 C=CC(=O)N1CC(C1)OC(=O)C 240690a_100016994906_200121576911 [0,1,0,1,0,0|1,0,1]=4 753 B12R1.1663 CC(=O)NC1CN(C1)C(=O)CO 240690a_100000716753_100000210174 [0,1,0,1,0,0|2,0,0]=4 754 B12R1.1663 CC(=O)NC1CN(C1)C(=O)CO 527a_100000716753_100000210174 [0,1,0,1,0,0|2,0,0]=4 755 B12R1.1663 CC(=O)OC1CN(C1)C(=O)CO 240690a_100016994906_100000210174 [0,1,0,1,0,0|1,0,0]=3 756 B12R1.1663 CC(=O)OC1CN(C1)C(=O)CO 527a_100016994906_100000210174 [0,1,0,1,0,0|1,0,0]=3 757 B12R1.1663 CCC(=O)N1CC(C1)NC(=O)C 11a_100000716753_100000210414 [0,1,0,1,0,0|2,0,0]=4 758 B12R1.1663 CCC(=O)N1CC(C1)NC(=O)C 240690a_100000716753_100000210414 [0,1,0,1,0,0|2,0,0]=4 759 B12R1.1663 CCC(=O)N1CC(C1)NC(=O)C 527a_100000716753_100000210414 [0,1,0,1,0,0|2,0,0]=4 760 B12R1.1663 CCC(=O)N1CC(C1)OC(=O)C 240690a_100016994906_100000210414 [0,1,0,1,0,0|1,0,0]=3 761 B12R1.1663 CCC(=O)N1CC(C1)OC(=O)C 527a_100016994906_100000210414 [0,1,0,1,0,0|1,0,0]=3 762 B12R1.1663 CNC(=O)N1CC(C1)NC(=O)C 2708a_100102657272_100000716753 [0,1,0,1,0,0|2,0,0]=4 763 B12R1.1663 CNC(=O)N1CC(C1)NC(=O)C 273464a_100102657272_100000716753 [0,1,0,1,0,0|2,0,0]=4 764 B12R1.1663 CNC(=O)N1CC(C1)OC(=O)C 2708a_100102657272_100016994906 [0,1,0,1,0,0|1,0,0]=3 765 B12R1.1663 CNC(=O)N1CC(C1)OC(=O)C 273464a_100102657272_100016994906 [0,1,0,1,0,0|1,0,0]=3 766 B12R1.1663 COC(=O)[C@H]1C[C@@H](C1)NC(=O)C 188690a_100121571207_100015343762 [0,1,0,1,0,0|2,0,0]=4 767 B12R1.1336 CC(=O)N1CC(C1)N(C)C(=O)C 11a_100016988723_100015343762 [0,1,0,1,0,0|2,0,0]=4 768 B12R1.1336 CC(=O)N1CC(C1)N(C)C(=O)C 240690a_100016988723_100015343762 [0,1,0,1,0,0|2,0,0]=4 769 B12R1.1336 CC(=O)N1CC(C1)N(C)C(=O)C 527a_100016988723_100103153847 [0,1,0,1,0,0|2,0,0]=4 770 B12R1.1393 CC(=O)OC1CN(C1)S(=O)(=O)C 40a_100016994906_100000738038 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,0,0,2,0,0|1,0,0]=3 772 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,0,0,2,0,0|1,0,0]=3 773 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,0,0,2,0,0|1,0,0]=3 774 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,0,0,2,0,0|1,0,0]=3 775 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [1,0,0,0,1,0|1,0,1]=4 776 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [1,0,0,0,1,0|1,0,1]=4 777 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,0,0,0,1,0|2,0,0]=4 778 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,1,0|2,0,0]=4 779 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,1,0|2,0,0]=4 780 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,1,0|1,0,1]=4 781 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,1,0|1,0,1]=4 782 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,1,0|1,0,1]=4 783 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,0,0,1,0|0,0,1]=3 784 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,0,0,1,0|0,0,1]=3 785 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,1,0|2,0,0]=4 786 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,1,0|1,0,0]=3 787 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,1,0|2,0,0]=4 788 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,1,0|1,0,0]=3 789 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,1,0|1,0,0]=3 790 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,1,0|2,0,0]=4 791 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,1,0|2,0,0]=4 792 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,1,0|0,0,0]=2 793 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,1,0|1,0,0]=3 794 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,1,0|1,0,1]=4 795 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,1,0|1,0,1]=4 796 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,1,0|1,0,1]=4 797 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,1,0|0,1,0]=3 798 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,1,0|2,0,0]=4 799 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,1,0|2,0,0]=4 800 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,1,0|2,0,0]=4 801 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,1,0|1,0,0]=3 802 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,0,0,0,1,0|2,0,0]=4 803 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,0,0,0,1,0|1,0,1]=4 804 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,1,0|0,1,0]=3 805 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,1,0|2,0,0]=4 806 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,0,0,0,2,0|2,0,0]=4 807 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,0,0,0,2,0|2,0,0]=4 808 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,0,0,0,2,0|2,0,0]=4 809 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,2,0|1,0,1]=4 810 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,2,0|2,0,0]=4 811 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,2,0|1,0,1]=4 812 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,2,0|1,0,1]=4 813 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,0,0,0,2,0|2,0,0]=4 814 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,0,0,2,0|1,0,0]=3 815 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,0,0,0,2,0|2,0,0]=4 816 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,0,0,0,2,0|2,0,0]=4 817 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,0,0,0,2,0|2,0,0]=4 818 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,0,0,2,0|1,0,0]=3 819 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,0,0,2,0|1,0,0]=3 820 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,0,0,0,2,0|2,0,0]=4 821 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,0,0,0,2,0|2,0,0]=4 822 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,0,0,0,2,0|2,0,0]=4 823 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,0,0,2,0|1,0,0]=3 824 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,0,0,2,0|0,0,0]=2 825 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,0,0,0,2,0|2,0,0]=4 826 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,0,0,2,0|0,0,0]=2 827 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,0,0,2,0|0,0,0]=2 828 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,0,0,0,2,0|2,0,0]=4 829 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,2,0|2,0,0]=4 830 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,0,0,0,2,0|2,0,0]=4 831 B10R0.3 C/C=C/C(C)OCOC(=O)C 34a_200102604097_100009813279 [1,0,0,0,0,1|1,0,0]=3 832 B10R0.3 C=CC[C@@H](C)OCOC(=O)C 34a_100000731007_100009813279 [1,0,0,0,0,1|1,0,1]=4 833 B10R0.3 CC#CC(C)OCOC(=O)C 34a_100011216543_100009813279 [1,0,0,0,0,1|1,0,1]=4 834 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,0,0,0,0,1|1,0,1]=4 835 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [1,0,0,0,0,1|1,0,1]=4 836 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [1,0,0,0,0,1|1,0,1]=4 837 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [1,0,0,0,0,1|1,0,1]=4 838 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [1,0,0,0,0,1|2,0,0]=4 839 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [1,0,0,0,0,1|2,0,0]=4 840 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [1,0,0,0,0,1|2,0,0]=4 841 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [1,0,0,0,0,1|2,0,0]=4 842 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [1,0,0,0,0,1|2,0,0]=4 843 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [1,0,0,0,0,1|2,0,0]=4 844 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [1,0,0,0,0,1|2,0,0]=4 845 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [1,0,0,0,0,1|2,0,0]=4 846 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [1,0,0,0,0,1|2,0,0]=4 847 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [1,0,0,0,0,1|2,0,0]=4 848 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [1,0,0,0,0,1|1,0,0]=3 849 B10R0.97 C=C(C)COCCOC(=O)N 34a_100000210245_200011214921 [1,0,0,0,0,1|2,0,0]=4 850 B10R0.97 C=C(C)COCCOC(=O)N 7a_100000766696_100000748629 [1,0,0,0,0,1|2,0,0]=4 851 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [1,0,0,0,0,1|1,1,0]=4 852 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [1,0,0,0,0,1|1,1,0]=4 853 B10R0.97 C=C(F)COCCOC(=O)C 34a_200010262243_100009814007 [1,0,0,0,0,1|1,0,1]=4 854 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,0,0,0,0,1|1,0,0]=3 855 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,0,0,0,0,1|1,1,0]=4 856 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [1,0,0,0,0,1|1,0,0]=3 857 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [1,0,0,0,0,1|2,0,0]=4 858 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [1,0,0,0,0,1|2,0,0]=4 859 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [1,0,0,0,0,1|2,0,0]=4 860 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [1,0,0,0,0,1|2,0,0]=4 861 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [1,0,0,0,0,1|1,0,0]=3 862 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [1,0,0,0,0,1|2,0,0]=4 863 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [1,0,0,0,0,1|1,0,0]=3 864 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [1,0,0,0,0,1|1,0,0]=3 865 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [1,0,0,0,0,1|2,0,0]=4 866 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [1,0,0,0,0,1|2,0,0]=4 867 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [1,0,0,0,0,1|0,0,0]=2 868 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [1,0,0,0,0,1|1,0,0]=3 869 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [1,0,0,0,0,1|1,0,1]=4 870 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [1,0,0,0,0,1|2,0,0]=4 871 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [1,0,0,0,0,1|2,0,0]=4 872 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [1,0,0,0,0,1|2,0,0]=4 873 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [1,0,0,0,0,1|2,0,0]=4 874 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [1,0,0,0,0,1|2,0,0]=4 875 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [1,0,0,0,0,1|1,0,1]=4 876 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [1,0,0,0,0,1|2,0,0]=4 877 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,0,0,0,0,1|1,0,1]=4 878 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,0,0,0,0,1|1,0,1]=4 879 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,0,0,0,0,1|1,0,1]=4 880 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [1,0,0,0,0,1|2,0,0]=4 881 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,0,0,0,0,1|1,0,1]=4 882 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,0,0,0,0,1|1,0,1]=4 883 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [1,0,0,0,0,1|1,1,0]=4 884 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [1,0,0,0,0,1|1,1,0]=4 885 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [1,0,0,0,0,1|1,1,0]=4 886 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [1,0,0,0,0,1|1,1,0]=4 887 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [1,0,0,0,0,1|2,0,0]=4 888 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [1,0,0,0,0,1|2,0,0]=4 889 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [1,0,0,0,0,1|2,0,0]=4 890 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [1,0,0,0,0,1|2,0,0]=4 891 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [1,0,0,0,0,1|2,0,0]=4 892 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [1,0,0,0,0,1|2,0,0]=4 893 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [1,0,0,0,0,1|2,0,0]=4 894 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [1,0,0,0,0,1|2,0,0]=4 895 B10R0.97 CC(=O)OCSCOC(=O)C 62a_100000076356_100000076356 [1,0,0,0,0,1|0,0,0]=2 896 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [1,0,0,0,0,1|1,0,1]=4 897 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [1,0,0,0,0,1|1,0,1]=4 898 B10R0.97 NC(=O)COCCOC(=O)N 7a_100000766696_100000187820 [1,0,0,0,0,1|2,0,0]=4 899 B12R0.44 C=C(C)COCC(C)CSC(=O)C 34a_100000210245_200000116872 [0,0,0,0,0,2|1,1,0]=4 900 B12R0.44 C=C(C)COCC(O)COC(=O)C 34a_100000210245_200000139349 [0,0,0,0,0,2|2,0,0]=4 901 B12R0.44 CC(=O)COCC(=O)COC(=O)C 34a_100000211253_100000036994 [0,0,0,0,0,2|1,0,1]=4 902 B12R0.44 CC(=O)COCC(C)CSC(=O)C 34a_100000211253_200000116872 [0,0,0,0,0,2|0,1,0]=3 903 B12R0.44 CC(=O)COCC(O)COC(=O)C 34a_100000211253_200000139349 [0,0,0,0,0,2|1,0,0]=3 904 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [0,0,0,0,0,2|2,0,0]=4 905 B12R0.44 CC(=O)OCCC(=O)COC(=O)C 1458a_100000183556_100009814007 [0,0,0,0,0,2|1,0,1]=4 906 B12R0.270 CC(=O)CCCSC(C)OC(=O)C 62a_100009818208_100011215641 [0,0,0,0,0,2|1,0,0]=3 907 B12R0.270 CC(=O)CCCSC(C)OC(=O)C 62a_100011215641_100009818208 [0,0,0,0,0,2|1,0,0]=3 908 B12R0.270 CC(=O)NCCSC(C)OC(=O)C 62a_100000189650_100009818208 [0,0,0,0,0,2|1,0,0]=3 909 B12R0.270 CC(=O)NCCSC(C)OC(=O)C 62a_100009818208_100000189650 [0,0,0,0,0,2|1,0,0]=3 910 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100009818208_100011217483 [0,0,0,0,0,2|2,0,0]=4 911 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100011217483_100009818208 [0,0,0,0,0,2|2,0,0]=4 912 B12R0.270 CC(=O)OC(C)SCCCC(=O)N 62a_100009818208_100102525003 [0,0,0,0,0,2|2,0,0]=4 913 B12R0.270 CC(=O)OC(C)SCCCC(=O)N 62a_100102525003_100009818208 [0,0,0,0,0,2|2,0,0]=4 914 B12R0.270 CC(=O)OC(C)SCCNC(=O)N 62a_100009818208_200000034859 [0,0,0,0,0,2|2,0,0]=4 915 B12R0.270 CC(=O)OC(C)SCCNC(=O)N 62a_200000034859_100009818208 [0,0,0,0,0,2|2,0,0]=4 916 B12R0.270 CC(=O)OC(C)SCCOC(=O)N 62a_100009818208_200011214921 [0,0,0,0,0,2|1,0,0]=3 917 B12R0.270 CC(=O)OC(C)SCCOC(=O)N 62a_200011214921_100009818208 [0,0,0,0,0,2|1,0,0]=3 918 B12R0.270 CC(=O)OC(C)SCCOC(C)C 62a_100000211751_100009818208 [0,0,0,0,0,2|1,0,1]=4 919 B12R0.270 CC(=O)OC(C)SCCOC(C)C 62a_100009818208_100000211751 [0,0,0,0,0,2|1,0,1]=4 920 B12R0.270 CC(=O)OCCOC(C)C=C(C)C 34a_100000717055_100009814007 [0,0,0,0,0,2|2,0,0]=4 921 B12R0.270 CC(=O)OCCSC(C)OC(=O)C 62a_100009814007_100009818208 [0,0,0,0,0,2|0,0,0]=2 922 B12R0.270 CC(=O)OCCSC(C)OC(=O)C 62a_100009818208_100009814007 [0,0,0,0,0,2|0,0,0]=2