0 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,0|1,0,0]=1 29 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,0|1,0,1]=2 37 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,0|1,1,1]=3 41 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,0|1,0,0]=1 48 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,0|1,0,0]=1 49 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,0|1,0,0]=1 50 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,0|1,0,0]=1 51 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,0|1,0,1]=2 61 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,0|1,0,0]=1 62 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,0|1,1,1]=3 63 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,0|1,0,1]=2 65 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,0|1,0,0]=1 66 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,0,0|2,0,1]=3 73 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,0,0|2,0,1]=3 74 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,0,0|1,0,1]=2 77 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,0,0|1,0,1]=2 78 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,0,0|1,1,1]=3 79 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,0,0|1,1,1]=3 80 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,0|3,0,0]=3 84 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,0|2,0,2]=4 87 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,0|3,0,0]=3 89 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,0,0,0,0|2,0,1]=3 95 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,0|2,0,1]=3 98 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,0|2,0,2]=4 105 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,0|2,0,2]=4 106 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,0,0|4,0,0]=4 107 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,0,0|2,0,2]=4 109 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,0,0|2,0,2]=4 110 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,0|2,0,2]=4 111 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,0|2,0,2]=4 112 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,0|2,0,2]=4 113 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,0|2,0,2]=4 114 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,0|2,0,2]=4 116 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,0|3,0,0]=3 119 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,0|3,0,0]=3 120 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [0,0,0,0,0,0|4,0,0]=4 121 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [0,0,0,0,0,0|4,0,0]=4 123 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,0|3,0,0]=3 124 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,0,0,0,0,0|4,0,0]=4 130 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,2]=4 131 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,2]=4 132 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,2]=4 133 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 134 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 135 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 136 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 138 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|0,0,3]=4 151 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|0,0,3]=4 152 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 155 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 156 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 157 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 164 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 174 B6R0.4 CC#CCN(C)C 2230a_100102631434_100000748600 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|1,0,0]=2 198 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|1,0,0]=2 199 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|1,0,1]=3 207 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,0,0,0,0|1,1,1]=4 208 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,0,0,0,0|1,1,1]=4 209 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|2,0,0]=3 219 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|2,0,0]=3 220 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 225 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 226 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 227 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,0,0,0,0|2,0,0]=3 228 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,0,0,0,0,0|2,0,0]=3 230 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,1]=3 231 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,1]=3 232 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,1]=3 233 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,0]=2 235 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,0]=2 236 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,0]=2 237 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 244 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 245 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 246 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|1,0,0]=2 247 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|1,0,1]=3 250 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|1,0,1]=3 251 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|1,1,1]=4 252 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|1,1,1]=4 253 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|3,0,0]=4 254 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|3,0,0]=4 255 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|3,0,0]=4 256 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|1,0,1]=3 260 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,0]=3 266 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|3,0,0]=4 268 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|1,0,1]=3 271 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|0,0,1]=2 272 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|0,0,1]=2 273 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|1,0,1]=3 274 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|1,0,1]=3 275 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|1,0,1]=3 278 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|1,0,1]=3 279 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|1,0,1]=3 280 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|1,0,1]=3 281 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|0,1,1]=3 288 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|0,1,1]=3 289 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|1,1,1]=4 290 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|1,1,1]=4 291 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|1,1,1]=4 292 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|1,1,1]=4 293 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|2,0,0]=3 303 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|2,0,0]=3 304 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|2,0,0]=3 306 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|1,0,0]=2 312 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 321 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 323 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|3,0,0]=4 324 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|3,0,0]=4 325 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,0]=3 326 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|2,0,0]=3 329 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|2,0,0]=3 330 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 332 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|3,0,0]=4 335 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|3,0,0]=4 338 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|3,0,0]=4 339 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|1,0,0]=2 340 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|3,0,0]=4 342 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|3,0,0]=4 343 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|3,0,0]=4 345 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,0]=3 347 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,0]=3 348 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|3,0,0]=4 351 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|2,0,0]=3 353 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|2,0,0]=3 354 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|3,0,0]=4 355 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|3,0,0]=4 356 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 365 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|1,0,0]=2 366 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|1,0,0]=2 367 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 378 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|3,0,0]=4 380 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|3,0,0]=4 381 B8R0.9 C#CC(=NNC(C)C)C 4a_100000741168_100000690481 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.9 C#CC(C)NCC(C)C 2230a_100000707721_100000210760 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.9 C#CC(C)NCC(C)C 270004a_100000707721_100000210432 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.9 C#CC(C)NCC(C)C 34a_100000210953_200000035995 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.9 C#CC(C)NCC(C)C 34a_100000707721_100000210624 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.9 C#CC(C)OCC(C)Br 34a_100012180447_200000035995 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.9 C#CC(C)OCC(C)C 34a_100000210257_200000035995 [0,1,0,0,0,0|1,0,1]=3 391 B8R0.9 C#CC(C)OCC(C)F 34a_100015925927_200000035995 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.9 C#CC(C)OC[C@@H](C)Cl 34a_100016084084_200000035995 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.9 C#CC(C)OC[C@@H](C)N 34a_100000737577_200000035995 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.9 C#CC(C)SCC(C)C 62a_200000035995_100000210760 [0,1,0,0,0,0|1,1,1]=4 395 B8R0.9 C#C[C@@H](C)OCC(C)C 34a_100009815206_100000210624 [0,1,0,0,0,0|1,0,1]=3 396 B8R0.9 C#C[C@@H](C)OCC(C)C 7a_100009815206_100000210760 [0,1,0,0,0,0|1,0,1]=3 397 B8R0.9 C#C[C@@H](C)OCC(C)O 34a_100009815206_100011218427 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.9 C#C[C@@H](C)OCC(C)O 7a_100009815206_100011218427 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 34a_100009815206_100009817552 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 7a_100009815206_100009817552 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|1,0,2]=4 403 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 407 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 408 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 409 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,0|1,0,2]=4 413 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,0|1,0,2]=4 414 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,0|1,0,2]=4 415 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,0|1,0,2]=4 416 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,0|1,0,2]=4 417 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,0|1,0,2]=4 418 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,0|1,0,2]=4 419 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,0|1,0,2]=4 420 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,0|1,0,2]=4 421 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,0|1,0,2]=4 422 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,0|1,0,2]=4 423 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,0|1,0,2]=4 424 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,0,0,0,0|3,0,0]=4 428 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,1,0,0,0,0|3,0,0]=4 429 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,1,0,0,0,0|3,0,0]=4 430 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,0|3,0,0]=4 435 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,1,0,0,0,0|3,0,0]=4 437 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,0|3,0,0]=4 438 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.9 C=CC(=NNC(C)C)C 4a_100000741168_200015361842 [0,1,0,0,0,0|3,0,0]=4 440 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|1,0,1]=3 441 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,0,0,0,0|1,0,1]=3 443 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,0,0,0,0|1,0,1]=3 444 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,1,0,0,0,0|1,0,2]=4 447 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,1,0,0,0,0|1,0,1]=3 449 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [0,1,0,0,0,0|1,1,1]=4 452 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,0|1,0,2]=4 453 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,0|1,0,2]=4 454 B8R0.9 CC(=NNC(C)C)CF 4a_100000741168_100000039719 [0,1,0,0,0,0|3,0,0]=4 455 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,0|1,0,0]=2 459 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,0|1,0,0]=2 460 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,0,0,0,0|2,0,0]=3 461 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,0,0,0,0|2,0,0]=3 462 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,0,0,0,0|2,0,0]=3 463 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,0,0,0,0|2,0,0]=3 464 B8R0.9 CC(=O)NN=C(C)CF 4a_100000189765_100000039719 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,1,0,0,0,0|1,0,1]=3 467 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,1,0,0,0,0|1,1,1]=4 468 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.9 CC(C#N)OC[C@@H](C)O 34a_100011218135_100009817552 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,0|1,0,1]=3 471 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|1,0,0]=2 472 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|1,0,0]=2 473 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|1,0,2]=4 475 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|1,0,2]=4 476 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|1,1,1]=4 477 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|1,1,1]=4 478 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|3,0,0]=4 479 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|1,0,0]=2 480 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|1,0,0]=2 481 B8R0.9 CC(C)CNC(C)C#N 2230a_100000210953_100000184139 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.9 CC(C)CNC(C)C#N 2230a_100000737613_100000210760 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,1,0,0,0,0|1,0,2]=4 484 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,1,0,0,0,0|1,0,2]=4 485 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,1,0,0,0,0|1,0,2]=4 487 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,1,0,0,0,0|1,0,2]=4 488 B8R0.9 CC(C)COC(C)C#N 34a_100011218135_100000210624 [0,1,0,0,0,0|1,0,1]=3 489 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,1,0,0,0,0|1,0,1]=3 490 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,1,0,0,0,0|1,0,1]=3 491 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,1,0,0,0,0|1,0,1]=3 492 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,1,0,0,0,0|0,0,2]=3 493 B8R0.9 CC(C)CSC(C)C#N 62a_100000210624_100000703298 [0,1,0,0,0,0|1,1,1]=4 494 B8R0.9 CC(C)CSC(C)C#N 62a_100000703298_100000210760 [0,1,0,0,0,0|1,1,1]=4 495 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,1,0,0,0,0|0,1,2]=4 496 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,1,0,0,0,0|0,1,2]=4 497 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,1,0,0,0,0|0,1,2]=4 498 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,0,0,0,0|2,0,0]=3 501 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,0|2,0,0]=3 502 B8R0.9 CC(C)OCC(Cl)CCl 34a_100000033668_100000210206 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,1,0,0,0,0|1,0,1]=3 505 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.9 CC(C)OC[C@H](F)CN 34a_100015665980_100000210206 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,1,0,0,0,0|1,1,1]=4 510 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,1,0,0,0,0|1,1,1]=4 511 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,0,0,0,0|3,0,0]=4 513 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,0|1,0,1]=3 517 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|3,0,0]=4 518 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|3,0,0]=4 519 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,1,0,0,0,0|1,0,2]=4 523 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,0,0,0,0|3,0,0]=4 525 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,0,0,0,0|3,0,0]=4 526 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|2,0,0]=3 528 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 529 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|2,0,0]=3 530 B8R0.9 CC(O)COC(C)C#N 34a_100011218135_100011218427 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,0|1,0,2]=4 535 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,0|1,0,2]=4 536 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,0|1,0,1]=3 537 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,0]=2 540 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,0]=2 541 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|2,0,0]=3 543 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|1,0,1]=3 545 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|1,1,1]=4 548 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|2,0,0]=3 551 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 554 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 555 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 556 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|1,0,0]=2 557 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|1,0,0]=2 566 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|1,0,0]=2 567 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,0|1,0,0]=2 568 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,0|1,0,0]=2 569 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,0|1,0,0]=2 570 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,0|1,0,0]=2 571 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,1,0,0,0,0|1,0,1]=3 575 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,1,0,0,0,0|1,1,1]=4 576 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,1,0,0,0,0|1,1,1]=4 577 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,0,0,0,0|2,0,0]=3 585 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,0|2,0,0]=3 586 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,1,0,0,0,0|1,0,1]=3 589 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,1,0,0,0,0|1,0,1]=3 590 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,0|2,0,1]=4 595 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,1,0,0,0,0|1,1,1]=4 600 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,1,0,0,0,0|1,1,1]=4 601 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,0|2,0,0]=3 603 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,0,0,0,0|3,0,0]=4 611 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,0|2,0,0]=3 614 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,0,0,0,0|1,0,0]=2 621 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,1,0,0,0,0|2,0,1]=4 630 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,1,0,0,0,0|1,0,1]=3 631 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,1,0,0,0,0|1,0,1]=3 632 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,1,0,0,0,0|1,1,1]=4 633 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,1,0,0,0,0|1,1,1]=4 634 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,0|1,0,1]=3 635 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,0|1,0,1]=3 636 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,0|1,0,1]=3 637 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|1,0,2]=4 638 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 639 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 640 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 641 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|1,0,0]=2 644 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 645 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 646 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|1,0,0]=2 647 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|2,0,0]=3 648 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|2,0,0]=3 649 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 651 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|2,0,0]=3 653 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|2,0,0]=3 655 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 669 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|2,0,0]=3 670 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|1,0,1]=3 671 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|1,0,1]=3 672 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|1,0,1]=3 673 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|2,0,0]=3 674 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 675 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 676 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|2,0,0]=3 677 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|2,0,0]=3 678 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|2,0,0]=3 679 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|1,1,1]=4 680 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|1,1,1]=4 681 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|1,1,1]=4 682 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 685 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,0]=3 687 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,0|1,0,0]=2 689 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,0|1,0,0]=2 690 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,0|1,0,0]=2 691 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,0|1,0,0]=2 692 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,0|1,0,0]=2 693 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,0|1,0,0]=2 694 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|2,0,0]=3 695 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|2,0,0]=3 696 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|2,0,0]=3 697 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|2,0,0]=3 698 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|2,0,0]=3 699 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [0,1,0,0,0,0|3,0,0]=4 704 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,0|2,0,0]=3 706 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,0|2,0,0]=3 707 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,0,0,0,0|0,0,0]=1 712 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|2,0,0]=3 715 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|2,0,0]=3 717 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|2,0,0]=3 718 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|2,0,0]=3 721 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|2,0,0]=3 722 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|2,0,0]=3 723 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|2,0,0]=3 724 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|1,0,2]=4 727 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|1,0,2]=4 728 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|1,0,2]=4 729 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,1,0,0,0,0|1,0,1]=3 730 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,1,0,0,0,0|3,0,0]=4 735 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,1,0,0,0,0|0,1,2]=4 736 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,1,0,0,0,0|0,1,2]=4 737 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,0,0,0,0|1,0,0]=2 738 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,0,0,0,0|1,0,0]=2 739 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,0,0,0,0|1,0,0]=2 740 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,0,0,0,0|1,0,0]=2 741 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|1,1,1]=4 743 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|1,1,1]=4 744 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,0,0,0,0|3,0,0]=4 745 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,0,0,0,0|3,0,0]=4 747 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,0,0,0,0|3,0,0]=4 748 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,0,0,0,0|3,0,0]=4 749 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,0|2,0,0]=3 751 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 752 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,1,0,0,0,0|3,0,0]=4 753 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,0|2,0,0]=3 754 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,0,0,0,0|3,0,0]=4 755 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,0,0,0,0|3,0,0]=4 756 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,0|1,0,2]=4 759 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,0|1,0,2]=4 760 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,0|1,0,2]=4 761 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,1,0,0,0,0|3,0,0]=4 762 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,1,0,0,0,0|3,0,0]=4 763 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,1,0,0,0,0|3,0,0]=4 764 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,0|2,0,0]=3 768 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,0|2,0,0]=3 769 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|1,0,0]=2 770 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,0|2,0,0]=3 771 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|2,0,0]=3 772 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|2,0,0]=3 774 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|2,0,0]=3 775 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,0|1,0,1]=3 777 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,0|2,0,0]=3 779 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,0|2,0,0]=3 781 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,0|1,0,0]=2 783 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,0|1,0,0]=2 784 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,0|1,0,0]=2 785 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,0|1,0,0]=2 786 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|2,0,0]=3 788 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,0|1,0,0]=2 789 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,0|1,0,0]=2 790 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,0|1,0,0]=2 791 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,0|1,0,0]=2 792 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,0|1,0,1]=3 795 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,0|1,0,0]=2 796 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,0|1,0,1]=3 797 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,0|1,0,1]=3 798 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|1,0,0]=2 799 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,0|1,0,2]=4 810 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,0|1,0,2]=4 811 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 813 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 816 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [0,1,0,0,0,0|2,0,1]=4 824 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|1,0,0]=2 826 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,0|3,0,0]=4 832 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,0|2,0,0]=3 833 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,0,0|3,0,0]=4 841 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,0,0|3,0,0]=4 842 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,0|3,0,0]=4 843 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,0,0,0,0|1,0,1]=3 844 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,0,0|3,0,0]=4 851 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,0|2,0,0]=3 856 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,1,0,0,0,0|3,0,0]=4 860 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,1,0,0,0,0|3,0,0]=4 861 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,1,0,0,0,0|1,0,1]=3 864 B8R0.29 CC(=O)C#C[Si](C)(C)C 1458a_100000039808_200000210301 [0,1,0,0,0,0|1,1,1]=4 865 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,0,0|1,0,0]=2 866 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,0,0|1,0,0]=2 867 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,0,0,0,0|2,0,0]=3 868 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,0,0|1,1,0]=3 874 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,0,0|1,1,0]=3 875 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,0,0|2,0,0]=3 876 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,0,0|2,0,0]=3 877 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,0,0|1,0,0]=2 878 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,0,0|1,0,0]=2 879 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,0,0|1,0,0]=2 880 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,0,0|1,0,0]=2 881 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,0,0|1,0,0]=2 882 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,0,0|1,0,0]=2 883 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,0,0|1,0,0]=2 884 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,0,0|1,0,0]=2 886 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,0,0|1,0,0]=2 887 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,0,0|1,0,0]=2 888 B8R0.29 CC(=O)NCC(C)(F)F 11a_100000731000_100015343762 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.29 CC(=O)NCC(C)(F)F 1626a_100000731000_100015343762 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.29 CC(=O)NCC(C)(F)F 240690a_100000731000_100015343762 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.29 CC(=O)NCC(C)(F)F 527a_100000731000_100103153847 [0,1,0,0,0,0|2,0,0]=3 892 B8R0.29 CC(=O)NCC(F)(F)F 11a_100000717047_100015343762 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.29 CC(=O)NCC(F)(F)F 1626a_100000717047_100015343762 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.29 CC(=O)NCC(F)(F)F 240690a_100000717047_100015343762 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.29 CC(=O)NCC(F)(F)F 527a_100000717047_100103153847 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,1,0,0,0,0|1,1,0]=3 897 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,1,0,0,0,0|1,1,0]=3 898 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,1,0,0,0,0|1,1,0]=3 899 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,1,0,0,0,0|1,1,0]=3 900 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.29 CC(Br)COC(C)(C)C 34a_100012180447_100000210625 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,1,0,0,0,0|1,0,1]=3 903 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,0,0|1,0,0]=2 904 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,0,0,0,0|3,0,0]=4 905 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,0,0|3,0,0]=4 906 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,0,0,0,0|3,0,0]=4 910 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,0,0,0,0|3,0,0]=4 913 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,0,0,0,0|3,0,0]=4 914 B8R0.29 CC(C)CNC(C)(C)C 2230a_100000715429_100000210760 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.29 CC(C)CNC(C)(C)C 34a_100000210953_100000210625 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.29 CC(C)CNS(=O)(=O)C 40a_100000210953_100000738038 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.29 CC(C)COC(C)(C)C 34a_100000210257_100000210625 [0,1,0,0,0,0|1,0,1]=3 918 B8R0.29 CC(C)COC(C)(C)C 34a_100015890283_100000210624 [0,1,0,0,0,0|1,0,1]=3 919 B8R0.29 CC(C)COC(C)(C)C 7a_100015890283_100000210760 [0,1,0,0,0,0|1,0,1]=3 920 B8R0.29 CC(C)COC(F)(F)F 34a_100000210257_200103152311 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.29 CC(C)CSC(C)(C)C 62a_100000210624_100000211941 [0,1,0,0,0,0|1,1,1]=4 922 B8R0.29 CC(C)CSC(C)(C)C 62a_100000211941_100000210760 [0,1,0,0,0,0|1,1,1]=4 923 B8R0.29 CC(C)NCC(C)(C)C 2230a_100000743828_100000210206 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.29 CC(C)NCC(C)(C)C 34a_100138425928_100011219605 [0,1,0,0,0,0|2,0,1]=4 925 B8R0.29 CC(C)NCC(C)(C)F 2230a_100020643315_100000210206 [0,1,0,0,0,0|2,0,1]=4 926 B8R0.29 CC(C)NCC(C)(C)F 34a_100138425928_100011997219 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.29 CC(C)NNS(=O)(=O)C 40a_100000741168_100000738038 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.29 CC(C)OCC(C)(C)C 34a_100000212225_100011219605 [0,1,0,0,0,0|1,0,1]=3 931 B8R0.29 CC(C)OCC(C)(C)F 34a_100000212225_100011997219 [0,1,0,0,0,0|1,0,1]=3 932 B8R0.29 CC(C)OCC(C)(C)F 34a_100000716592_100000210206 [0,1,0,0,0,0|1,0,1]=3 933 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,1,0,0,0,0|1,0,1]=3 934 B8R0.29 CC(C)OCC(C)(F)F 34a_100000068830_100000210206 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.29 CC(C)SCC(C)(C)C 62a_100000210206_100011219605 [0,1,0,0,0,0|1,1,1]=4 936 B8R0.29 CC(C)SCC(C)(C)C 62a_100011219605_100000210206 [0,1,0,0,0,0|1,1,1]=4 937 B8R0.29 CC(C)SCC(C)(C)F 62a_100000210206_100011997219 [0,1,0,0,0,0|1,1,1]=4 938 B8R0.29 CC(C)SCC(C)(C)F 62a_100011997219_100000210206 [0,1,0,0,0,0|1,1,1]=4 939 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,1,0,0,0,0|1,1,1]=4 940 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,1,0,0,0,0|1,1,1]=4 941 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,0,0,0,0|2,0,0]=3 942 B8R0.29 CC(F)COC(C)(C)C 34a_100015925927_100000210625 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.29 CC(O)CNS(=O)(=O)C 40a_100000210904_100000738038 [0,1,0,0,0,0|3,0,0]=4 944 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,1,0,0,0,0|3,0,0]=4 947 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,1,0,0,0,0|3,0,0]=4 948 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,1,0,0,0,0|3,0,0]=4 949 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100000750128_200000210301 [0,1,0,0,0,0|3,0,0]=4 950 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100102631434_100000731031 [0,1,0,0,0,0|3,0,0]=4 951 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100000750128_200000210301 [0,1,0,0,0,0|3,0,0]=4 952 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100102631434_100000731031 [0,1,0,0,0,0|3,0,0]=4 953 B8R0.29 CN(C)CCS(=O)(=O)C 34a_100000750128_200000210301 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.29 CN([13CH3])CCS(=O)(=O)C 2230a_100000750128_200025704644 [0,1,0,0,0,0|3,0,0]=4 955 B8R0.29 CN([13CH3])CCS(=O)(=O)C 269982a_100000750128_200025704644 [0,1,0,0,0,0|3,0,0]=4 956 B8R0.29 CN([13CH3])CCS(=O)(=O)C 34a_100000750128_200025704644 [0,1,0,0,0,0|3,0,0]=4 957 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,1,0,0,0,0|3,0,0]=4 958 B8R0.29 C[C@@H](Cl)COC(C)(C)C 34a_100016084084_100000210625 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.29 C[C@@H](N)COC(C)(C)C 34a_100000737577_100000210625 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,1,0,0,0,0|2,0,1]=4 962 B8R0.29 C[Si](C)(C)C#CC(=O)[13CH3] 1458a_100000039808_200025704644 [0,1,0,0,0,0|1,1,1]=4 963 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,0,0|1,1,0]=3 964 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,1,0,0,0,0|3,0,0]=4 965 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 966 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 967 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,1,0,0|3,0,0]=4 968 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 969 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 970 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,1,0,0|3,0,0]=4 971 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 972 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 976 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 977 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 978 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 979 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 980 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 981 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 982 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 983 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 984 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,1,0,0|3,0,0]=4 985 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 986 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,1,0,0|3,0,0]=4 987 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,0|2,0,0]=3 988 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,0|2,0,0]=3 989 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,0|2,0,0]=3 990 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,0|2,0,0]=3 991 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,0|2,0,0]=3 992 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,0|2,0,0]=3 993 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,0,0|1,0,2]=4 994 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,0,0|1,0,2]=4 995 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|1,0,0]=2 996 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,0|2,0,0]=3 997 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,0|1,0,0]=2 999 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,0|1,0,0]=2 1000 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,0|1,0,0]=2 1001 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,0,0,1,0,0|2,0,0]=3 1002 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,0,0,1,0,0|2,0,0]=3 1003 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,0,0,1,0,0|2,0,0]=3 1004 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,0,0|2,0,0]=3 1005 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,0,0|2,0,0]=3 1006 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,0,0|2,0,0]=3 1007 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,0|2,0,1]=4 1008 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,0|2,0,0]=3 1009 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|1,0,0]=2 1010 B8R1.23 CC1CN(C1)C(C)C 2230a_100000702820_100000210206 [0,0,0,1,0,0|2,0,1]=4 1011 B8R1.23 CC1CN(C1)C(C)C 269982a_100000702820_100000210206 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.23 CC1CN(C1)C(C)C 34a_100000702820_100000210206 [0,0,0,1,0,0|2,0,1]=4 1013 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,0,0|2,0,0]=3 1014 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,0,0|3,0,0]=4 1015 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,0|2,0,0]=3 1016 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,0|2,0,0]=3 1017 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,0|2,0,0]=3 1019 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,0,0|3,0,0]=4 1020 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,0,0,1,0,0|3,0,0]=4 1021 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,0,1,0,0|3,0,0]=4 1022 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,0,0,1,0,0|3,0,0]=4 1023 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,0|1,0,1]=3 1024 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|1,0,0]=2 1025 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|1,0,0]=2 1026 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,1,0,0|2,0,0]=3 1027 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,0|2,0,0]=3 1028 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,0|1,0,0]=2 1029 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,0|1,0,0]=2 1030 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,0|1,0,0]=2 1031 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,0|1,0,0]=2 1032 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,1,0,0|2,0,0]=3 1033 B8R1.35 CC(Br)COC1CC1 34a_100012180447_100000211595 [0,0,0,1,0,0|2,0,1]=4 1034 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [0,0,0,1,0,0|2,0,1]=4 1035 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [0,0,0,1,0,0|2,0,1]=4 1036 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [0,0,0,1,0,0|1,0,1]=3 1037 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [0,0,0,1,0,0|1,1,1]=4 1038 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [0,0,0,1,0,0|2,0,1]=4 1039 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [0,0,0,1,0,0|2,0,1]=4 1040 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [0,0,0,1,0,0|2,0,1]=4 1042 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [0,0,0,1,0,0|1,0,1]=3 1043 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [0,0,0,1,0,0|1,0,1]=3 1044 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [0,0,0,1,0,0|2,0,1]=4 1045 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [0,0,0,1,0,0|2,0,1]=4 1046 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [0,0,0,1,0,0|1,1,1]=4 1047 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [0,0,0,1,0,0|1,1,1]=4 1048 B8R1.35 CC(F)COC1CC1 34a_100015925927_100000211595 [0,0,0,1,0,0|2,0,1]=4 1049 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [0,0,0,1,0,0|3,0,0]=4 1050 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [0,0,0,1,0,0|3,0,0]=4 1051 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [0,0,0,1,0,0|2,0,1]=4 1052 B8R1.35 C[C@@H](N)COC1CC1 34a_100000737577_100000211595 [0,0,0,1,0,0|2,0,1]=4 1053 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,0|3,0,0]=4 1054 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,0|3,0,0]=4 1055 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|3,0,0]=4 1056 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,0|3,0,0]=4 1057 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,0|3,0,0]=4 1058 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,0|1,0,1]=3 1059 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|1,0,0]=2 1060 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 1061 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 1062 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 1063 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 1064 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,0,0,1,0,0|3,0,0]=4 1065 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|1,0,0]=2 1066 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|1,0,0]=2 1067 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,0,0,1,0,0|3,0,0]=4 1068 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,1,0|0,0,2]=3 1069 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,1,0|2,0,0]=3 1070 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,1,0|2,0,0]=3 1071 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,1,0|2,0,0]=3 1072 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,1,0|2,0,0]=3 1073 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,1,0|2,0,0]=3 1074 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,1,0|2,0,0]=3 1075 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,1,0|1,0,2]=4 1076 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,0,0,0,1,0|2,0,1]=4 1077 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,0,0,0,1,0|2,0,1]=4 1078 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,1,0|0,0,2]=3 1079 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,1,0|1,0,2]=4 1080 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,1,0|1,0,2]=4 1081 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,1,0|0,0,2]=3 1082 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,1,0|1,0,2]=4 1083 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,1,0|1,0,2]=4 1084 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,1,0|2,0,1]=4 1085 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,1,0|2,0,1]=4 1086 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,1,0|2,0,1]=4 1087 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,1,0|0,0,0]=1 1088 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,1,0|0,0,0]=1 1089 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,1,0|1,0,0]=2 1090 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,1,0|2,0,0]=3 1091 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,1,0|1,0,0]=2 1092 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,1,0|1,0,0]=2 1093 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,0,0,1,0|3,0,0]=4 1094 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,1,0|1,0,0]=2 1095 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,1,0|1,0,0]=2 1096 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,1,0|1,0,0]=2 1097 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,1,0|1,0,0]=2 1098 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,1,0|1,0,0]=2 1099 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,1,0|0,0,0]=1 1100 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,1,0|2,0,0]=3 1101 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,1,0|2,0,0]=3 1102 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,1,0|2,0,0]=3 1103 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,1,0|2,0,0]=3 1104 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,1,0|2,0,0]=3 1105 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,1,0|2,0,0]=3 1106 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,1,0|2,0,0]=3 1107 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,0,0,1,0|2,0,1]=4 1108 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,0,0,1,0|2,0,1]=4 1109 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,1,0|1,0,1]=3 1110 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,0,0,1,0|1,1,1]=4 1111 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,1,0|1,0,2]=4 1112 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,1,0|1,0,2]=4 1113 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,1,0|1,0,2]=4 1114 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,1,0|1,0,2]=4 1115 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,1,0|1,0,2]=4 1116 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,1,0|1,0,2]=4 1117 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,1,0|2,0,0]=3 1118 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,1,0|2,0,0]=3 1119 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,1,0|2,0,0]=3 1120 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,1,0|2,0,0]=3 1121 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,1,0|1,0,0]=2 1122 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,1,0|2,0,0]=3 1123 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,0,0,0,1,0|3,0,0]=4 1124 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,1,0|2,0,0]=3 1125 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,1,0|2,0,0]=3 1126 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,1,0|1,0,0]=2 1127 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,1,0|1,0,2]=4 1128 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,1,0|1,0,2]=4 1129 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,1,0|1,0,0]=2 1130 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,1,0|2,0,1]=4 1131 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,0,0,0,0,1|2,0,1]=4 1132 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,0,0,0,0,1|3,0,0]=4 1133 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,0,0,0,1|2,0,0]=3 1134 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,0,0,0,1|2,0,0]=3 1135 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,1|2,0,0]=3 1136 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,1|2,0,0]=3 1137 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,1|2,0,0]=3 1138 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,1|2,0,0]=3 1139 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,0,0,0,0,1|2,0,0]=3 1140 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,0,0,0,0,1|2,0,0]=3 1141 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,0,0,0,1|3,0,0]=4 1142 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,0,0,0,1|3,0,0]=4 1143 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,1|1,0,2]=4 1144 B8R0.28 C=C(C)COCC(=C)C 34a_100000210245_100000748629 [0,0,0,0,0,1|1,0,2]=4 1145 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,1|0,0,2]=3 1146 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,0,0,0,1|1,0,2]=4 1147 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,0,0,0,0,1|1,0,2]=4 1148 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,0,0,0,0,1|2,0,0]=3 1149 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,0,0,0,1|1,0,0]=2 1150 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,0,0,0,1|1,0,0]=2 1151 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,0,0,0,0,1|2,0,0]=3 1152 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,0,0,0,1|2,0,0]=3 1153 B8R0.28 C=C(C)COCC(F)F 34a_100000210245_100011934356 [0,0,0,0,0,1|3,0,0]=4 1154 B8R0.28 C=C(C)COCC(F)F 34a_100000743014_100000748629 [0,0,0,0,0,1|3,0,0]=4 1155 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,0,0,0,0,1|2,0,0]=3 1156 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,0,0,0,0,1|2,0,0]=3 1157 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,0,0,0,1|2,0,0]=3 1158 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,0,0,0,1|1,1,0]=3 1159 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,0,0,0,1|1,1,0]=3 1160 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,0,0,0,0,1|2,1,0]=4 1161 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,0,0,0,0,1|2,1,0]=4 1162 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,0,0,0,0,1|2,1,0]=4 1163 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,0,0,0,0,1|2,1,0]=4 1164 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,0,0,0,0,1|2,0,1]=4 1165 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,0,0,0,0,1|2,0,1]=4 1166 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [0,0,0,0,0,1|1,0,2]=4 1167 B8R0.28 C=C(F)COCC(C)Br 34a_100012180447_100009893438 [0,0,0,0,0,1|2,0,1]=4 1168 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,0,0,0,0,1|1,0,1]=3 1169 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,0,0,0,0,1|1,0,1]=3 1170 B8R0.28 C=C(F)COCC(C)F 34a_100015925927_100009893438 [0,0,0,0,0,1|2,0,1]=4 1171 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,0,0,0,0,1|2,0,1]=4 1172 B8R0.28 C=C(F)COC[C@@H](C)Cl 34a_100016084084_100009893438 [0,0,0,0,0,1|2,0,1]=4 1173 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [0,0,0,0,0,1|2,0,1]=4 1174 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,0,0,0,0,1|2,0,1]=4 1175 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,0,0,0,0,1|1,1,1]=4 1176 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,0,0,0,0,1|1,1,1]=4 1177 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,1|3,0,0]=4 1178 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,1|3,0,0]=4 1179 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,1|2,0,0]=3 1180 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,1|2,0,0]=3 1181 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,1|2,0,0]=3 1182 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,1|2,0,0]=3 1183 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,1|2,0,0]=3 1184 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,1|2,0,0]=3 1185 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,1|2,0,0]=3 1186 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,1|1,0,1]=3 1187 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,1|2,0,0]=3 1188 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,1|1,0,1]=3 1189 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,1|2,0,1]=4 1190 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,1|1,0,0]=2 1191 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,1|1,0,0]=2 1192 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,1|2,0,0]=3 1193 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,1|2,0,0]=3 1194 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,1|2,0,0]=3 1195 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,1|2,0,1]=4 1196 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,1|2,0,1]=4 1197 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,1|1,0,1]=3 1198 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,1|2,0,1]=4 1199 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,1|1,0,0]=2 1200 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,1|1,0,0]=2 1201 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,1|1,0,0]=2 1202 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,1|1,1,1]=4 1203 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,1|1,0,0]=2 1204 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,1|1,0,0]=2 1205 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,1|1,0,0]=2 1206 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,1|2,0,1]=4 1207 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,1|2,0,1]=4 1208 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,1|2,0,1]=4 1209 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,1|0,0,0]=1 1210 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,1|0,0,0]=1 1211 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,1|1,0,0]=2 1212 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,0,0,0,0,1|2,0,0]=3 1213 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,1|1,0,0]=2 1214 B8R0.28 CC(=O)COC[N+](=O)[O-] 34a_100000211253_100000761209 [0,0,0,0,0,1|3,0,0]=4 1215 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,1|1,0,1]=3 1216 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,1|1,0,1]=3 1217 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,1|1,0,1]=3 1218 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,1|2,0,1]=4 1219 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,1|1,0,0]=2 1220 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,1|1,0,0]=2 1221 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,1|1,0,0]=2 1222 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,1|1,0,0]=2 1223 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,1|2,0,0]=3 1224 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,1|2,0,0]=3 1225 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,1|2,0,0]=3 1226 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,1|2,0,0]=3 1227 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,1|2,0,0]=3 1228 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,1|2,0,0]=3 1229 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,1|1,0,1]=3 1230 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,1|1,0,0]=2 1231 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,1|2,0,0]=3 1232 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,1|1,0,0]=2 1233 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,1|0,0,0]=1 1234 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,1|0,0,0]=1 1235 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,1|0,0,0]=1 1236 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,1|0,0,0]=1 1237 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,1|1,1,1]=4 1238 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,0,0,0,1|2,0,1]=4 1239 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,0,0,0,0,1|2,0,0]=3 1240 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,0,0,0,0,1|2,0,0]=3 1241 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,0,0,0,0,1|1,0,2]=4 1242 B8R0.28 CC(Br)COC[N+](=O)[O-] 34a_100012180447_100000761209 [0,0,0,0,0,1|3,0,0]=4 1243 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,1|1,0,1]=3 1244 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,1|1,0,0]=2 1245 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,0,0,0,0,1|3,0,0]=4 1246 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,0,0,0,0,1|3,0,0]=4 1247 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,0,0,0,1|2,0,1]=4 1248 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,0,0,0,1|2,0,1]=4 1249 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,0,0,0,1|1,0,1]=3 1250 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,0,0,0,1|1,0,1]=3 1251 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,0,0,0,1|1,0,1]=3 1252 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,0,0,0,1|1,1,1]=4 1253 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,0,0,0,1|1,1,1]=4 1254 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,1|2,0,0]=3 1255 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,1|2,0,0]=3 1256 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,1|2,0,0]=3 1257 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,1|2,0,0]=3 1258 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,1|2,0,0]=3 1259 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,0,0,0,1|2,0,1]=4 1260 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,0,0,0,1|2,0,1]=4 1261 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,0,0,0,1|2,0,1]=4 1262 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,0,0,0,1|1,0,2]=4 1263 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,0,0,0,1|1,0,2]=4 1264 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,0,0,0,1|1,0,2]=4 1265 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,0,0,0,1|1,0,2]=4 1266 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,0,0,0,1|1,0,2]=4 1267 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,0,0,0,1|1,0,2]=4 1268 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,0,0,0,1|1,0,2]=4 1269 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,0,0,0,0,1|3,0,0]=4 1270 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,1|1,0,0]=2 1271 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,1|0,0,0]=1 1272 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,1|1,0,0]=2 1273 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,0,0,0,1|1,0,1]=3 1274 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,0,0,0,1|1,0,1]=3 1275 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,0,0,0,1|1,0,1]=3 1276 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,0,0,0,1|0,0,2]=3 1277 B8R0.28 CC(C)COCC(F)F 34a_100000210257_100011934356 [0,0,0,0,0,1|2,0,1]=4 1278 B8R0.28 CC(C)COCC(F)F 34a_100000743014_100000210624 [0,0,0,0,0,1|2,0,1]=4 1279 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,0,0,0,1|1,0,1]=3 1280 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,0,0,0,1|1,0,1]=3 1281 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,0,0,0,1|0,0,2]=3 1282 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,0,0,0,0,1|2,0,0]=3 1283 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,1|1,1,0]=3 1284 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,1|1,1,0]=3 1285 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,1|1,1,0]=3 1286 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,1|1,1,0]=3 1287 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,0,0,0,1|1,1,1]=4 1288 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,0,0,0,1|0,1,2]=4 1289 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,0,0,0,1|0,1,2]=4 1290 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,0,0,0,1|0,1,2]=4 1291 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,0,0,0,1|0,1,2]=4 1292 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,0,0,0,0,1|2,1,0]=4 1293 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,1|2,0,0]=3 1294 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,1|2,0,0]=3 1295 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [0,0,0,0,0,1|1,0,1]=3 1296 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [0,0,0,0,0,1|1,0,1]=3 1297 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,1|2,0,0]=3 1298 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,1|2,0,0]=3 1299 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,1|2,0,0]=3 1300 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,1|2,0,0]=3 1301 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,0,0,0,1|2,0,1]=4 1302 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,0,0,0,1|2,0,1]=4 1303 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,0,0,0,1|2,0,1]=4 1304 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [0,0,0,0,0,1|1,0,1]=3 1305 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,0,0,0,0,1|1,0,1]=3 1306 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,0,0,0,0,1|1,0,1]=3 1307 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,1|2,0,0]=3 1308 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,1|2,0,0]=3 1309 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,0,0,0,1|3,0,0]=4 1310 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,0,0,0,1|3,0,0]=4 1311 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,0,0,0,1|3,0,0]=4 1312 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,0,0,0,0,1|2,0,0]=3 1313 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,0,0,0,0,1|2,0,0]=3 1314 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,0,0,0,0,1|1,0,2]=4 1315 B8R0.28 CC(F)COC[N+](=O)[O-] 34a_100015925927_100000761209 [0,0,0,0,0,1|3,0,0]=4 1316 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,0,0,0,1|1,0,2]=4 1317 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,0,0,0,1|1,0,2]=4 1318 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,0,0,0,1|1,0,2]=4 1319 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,0,0,0,1|1,0,2]=4 1320 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,0,0,0,1|1,0,2]=4 1321 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,0,0,0,1|1,0,2]=4 1322 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,1|3,0,0]=4 1323 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,1|3,0,0]=4 1324 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,1|3,0,0]=4 1325 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,1|3,0,0]=4 1326 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,1|3,0,0]=4 1327 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,0,0,0,0,1|1,0,2]=4 1328 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,0,0,0,0,1|1,0,2]=4 1329 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,0,0,0,0,1|1,0,2]=4 1330 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,0,0,0,0,1|1,0,2]=4 1331 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,1|2,1,0]=4 1332 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,1|2,1,0]=4 1333 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,1|2,1,0]=4 1334 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,1|2,1,0]=4 1335 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,1|2,0,0]=3 1336 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,1|3,0,0]=4 1337 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,1|3,0,0]=4 1338 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,1|3,0,0]=4 1339 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,1|3,0,0]=4 1340 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,1|2,0,0]=3 1341 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,1|3,0,0]=4 1342 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,0,0,0,0,1|2,0,0]=3 1343 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,0,0,0,0,1|2,0,0]=3 1344 B8R0.28 C[C@@H](Cl)COC[N+](=O)[O-] 34a_100016084084_100000761209 [0,0,0,0,0,1|3,0,0]=4 1345 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,0,0,0,0,1|2,0,0]=3 1346 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,0,0,0,0,1|2,0,0]=3 1347 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,0,0,0,0,1|1,0,2]=4 1348 B8R0.28 C[C@@H](N)COC[N+](=O)[O-] 34a_100000737577_100000761209 [0,0,0,0,0,1|3,0,0]=4 1349 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,1|3,0,0]=4 1350 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,1|3,0,0]=4 1351 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,0,0,0,0,1|1,0,2]=4 1352 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,1|2,1,0]=4 1353 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,1|2,1,0]=4 1354 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,1|2,1,0]=4 1355 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,1|2,1,0]=4 1356 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,0,0,0,0,1|3,0,0]=4 1357 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,0,0,0,0,1|3,0,0]=4 1358 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,1|2,0,1]=4 1359 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 1360 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 1361 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 1362 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1363 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 1364 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1365 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|0,0,2]=4 1366 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|0,0,2]=4 1367 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|0,0,2]=4 1368 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|2,0,0]=4 1369 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|2,0,0]=4 1370 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|2,0,0]=4 1371 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|2,0,0]=4 1372 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 1373 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 1374 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 1375 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 1376 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 1377 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 1378 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 1379 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 1380 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 1381 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 1382 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 1383 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 1384 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 1385 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 1386 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 1387 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 1388 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,0]=3 1389 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|1,0,0]=3 1390 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 1391 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 1392 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|0,0,0]=2 1393 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|0,1,0]=3 1394 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|0,1,0]=3 1395 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|1,0,1]=4 1396 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|1,0,0]=3 1397 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1398 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1399 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|1,1,0]=4 1400 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|1,1,0]=4 1401 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 1402 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 1403 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 1404 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 1405 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 1406 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1407 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1408 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1409 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1410 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1411 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1412 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1413 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1414 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1415 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,1]=4 1416 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1417 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1418 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|0,0,1]=3 1419 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|0,0,1]=3 1420 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|0,1,1]=4 1421 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|0,1,1]=4 1422 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1423 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1424 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1425 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1426 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1427 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1428 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|2,0,0]=4 1429 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|2,0,0]=4 1430 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 1431 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 1432 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,0]=3 1433 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 1434 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,0]=3 1435 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 1436 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1437 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 1438 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1439 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|2,0,0]=4 1440 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 1441 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 1442 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|2,0,0]=4 1443 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 1444 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1445 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,0]=3 1446 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,0]=3 1447 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1448 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,0]=3 1449 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|2,0,0]=4 1450 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|1,0,0]=3 1451 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|0,0,0]=2 1452 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|0,0,0]=2 1453 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|1,0,0]=3 1454 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|1,0,0]=3 1455 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [2,0,0,0,0,0|2,0,0]=4 1456 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [2,0,0,0,0,0|2,0,0]=4 1457 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|1,0,0]=3 1458 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|1,0,0]=3 1459 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|1,0,0]=3 1460 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|1,0,0]=3 1461 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|1,0,0]=3 1462 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,0]=3 1463 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1464 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1465 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,0]=3 1466 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|2,0,0]=4 1467 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|2,0,0]=4 1468 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|0,1,0]=3 1469 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|0,1,0]=3 1470 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|1,1,0]=4 1471 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|1,1,0]=4 1472 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|1,1,0]=4 1473 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|1,1,0]=4 1474 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|1,1,0]=4 1475 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|1,1,0]=4 1476 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|1,0,0]=3 1477 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|1,0,0]=3 1478 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|1,1,0]=4 1479 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|1,1,0]=4 1480 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 1481 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 1482 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1483 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|2,0,0]=4 1484 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [2,0,0,0,0,0|2,0,0]=4 1485 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1486 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1487 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|2,0,0]=4 1488 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|2,0,0]=4 1489 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|2,0,0]=4 1490 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|2,0,0]=4 1491 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|2,0,0]=4 1492 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|2,0,0]=4 1493 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|2,0,0]=4 1494 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|2,0,0]=4 1495 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|2,0,0]=4 1496 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|2,0,0]=4 1497 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|2,0,0]=4 1498 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|2,0,0]=4 1499 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|2,0,0]=4 1500 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|2,0,0]=4 1501 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|2,0,0]=4 1502 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1503 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|2,0,0]=4 1504 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1505 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|2,0,0]=4 1506 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 1507 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1508 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1509 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 1510 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 1511 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1512 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1513 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1514 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1515 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 1516 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 1517 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1518 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 1519 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 1520 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 1521 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 1522 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 1523 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 1524 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,1]=3 1525 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,1]=3 1526 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,0,1]=4 1527 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,1,1]=4 1528 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,1,1]=4 1529 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 1530 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|2,0,0]=4 1531 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1532 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,0,1]=4 1533 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,0,1]=4 1534 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 1535 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,1]=4 1536 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,1]=4 1537 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,1]=4 1538 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,1]=4 1539 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,1]=4 1540 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|2,0,0]=4 1541 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|2,0,0]=4 1542 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|2,0,0]=4 1544 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 1545 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 1546 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 1547 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,1,0,0,0,0|2,0,0]=4 1548 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|2,0,0]=4 1549 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|2,0,0]=4 1550 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,1,0,0,0,0|1,0,0]=3 1551 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,1,0,0,0,0|1,0,0]=3 1552 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1553 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1554 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1555 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|2,0,0]=4 1556 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|2,0,0]=4 1557 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|1,0,1]=4 1558 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 1560 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,1]=4 1561 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,1]=4 1562 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,0]=3 1563 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,0]=3 1564 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,0]=3 1565 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 1566 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 1567 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 1568 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|1,0,0]=3 1569 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,0]=3 1572 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,0]=3 1573 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1574 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|2,0,0]=4 1575 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|2,0,0]=4 1576 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|1,0,1]=4 1577 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|1,0,1]=4 1578 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|1,0,1]=4 1579 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|1,0,1]=4 1581 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|1,0,1]=4 1582 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|1,0,1]=4 1583 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|1,0,1]=4 1584 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,0]=3 1585 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|2,0,0]=4 1592 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1593 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1594 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|2,0,0]=4 1595 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1596 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|2,0,0]=4 1597 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|2,0,0]=4 1598 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,1,0,0,0,0|1,0,0]=3 1599 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,1,0,0,0,0|1,0,0]=3 1600 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|1,0,1]=4 1601 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [1,1,0,0,0,0|1,0,1]=4 1602 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1603 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1604 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [1,1,0,0,0,0|2,0,0]=4 1605 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,1]=4 1606 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|1,0,1]=4 1607 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|1,0,1]=4 1608 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,1,0,0,0,0|0,0,2]=4 1609 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,1,0,0,0,0|0,0,2]=4 1610 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 1613 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 1615 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 1616 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|2,0,0]=4 1617 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|2,0,0]=4 1618 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [1,1,0,0,0,0|1,0,1]=4 1619 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|2,0,0]=4 1620 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|1,0,1]=4 1626 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,1,0,0,0,0|1,0,1]=4 1627 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|2,0,0]=4 1628 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|2,0,0]=4 1629 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|2,0,0]=4 1630 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|2,0,0]=4 1631 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|2,0,0]=4 1632 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|2,0,0]=4 1633 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 1634 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 1635 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 1636 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 1637 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 1638 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 1639 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|2,0,0]=4 1640 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|2,0,0]=4 1641 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|2,0,0]=4 1642 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|2,0,0]=4 1643 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|2,0,0]=4 1644 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|2,0,0]=4 1645 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|2,0,0]=4 1646 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|2,0,0]=4 1647 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,1]=4 1648 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,1]=4 1649 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,1]=4 1650 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 1651 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 1652 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,0]=3 1653 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,0]=3 1654 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,0]=3 1655 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|1,0,0]=3 1656 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,0]=3 1657 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1658 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1659 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1660 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|1,0,1]=4 1661 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 1662 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|1,0,1]=4 1663 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|1,0,1]=4 1664 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 1665 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|1,0,1]=4 1666 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1667 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,1]=4 1668 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1669 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1670 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1671 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1676 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1677 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1678 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1679 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 1680 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 1681 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|1,0,0]=3 1682 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 1683 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 1684 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 1685 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 1686 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|1,0,0]=3 1687 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [1,1,0,0,0,0|1,0,1]=4 1688 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 1689 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 1690 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,1,0,0,0,0|1,0,1]=4 1691 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,1,0,0,0,0|1,0,1]=4 1692 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,1]=4 1693 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|0,0,2]=4 1694 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1695 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1696 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|2,0,0]=4 1697 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|1,0,1]=4 1698 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|1,0,1]=4 1699 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,1]=4 1701 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|1,0,1]=4 1703 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,1,0,0,0,0|1,0,1]=4 1704 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|2,0,0]=4 1705 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 1706 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 1707 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 1708 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 1709 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|2,0,0]=4 1710 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|2,0,0]=4 1711 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|2,0,0]=4 1712 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|2,0,0]=4 1713 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 1714 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 1715 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|2,0,0]=4 1716 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|2,0,0]=4 1717 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 1718 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|2,0,0]=4 1719 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|0,0,1]=3 1720 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|0,0,1]=3 1721 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|0,0,1]=3 1722 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|0,0,1]=3 1723 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|0,0,1]=3 1724 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|0,0,1]=3 1725 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|0,0,1]=3 1726 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [1,1,0,0,0,0|1,0,1]=4 1727 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|1,0,1]=4 1728 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|1,0,1]=4 1729 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|1,0,1]=4 1730 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|0,0,1]=3 1731 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|0,0,1]=3 1732 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|0,0,1]=3 1733 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,1,0,0,0,0|1,0,1]=4 1734 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|1,0,1]=4 1735 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [1,1,0,0,0,0|1,0,1]=4 1736 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|2,0,0]=4 1737 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|2,0,0]=4 1738 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|2,0,0]=4 1739 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|2,0,0]=4 1740 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|2,0,0]=4 1741 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 1742 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 1743 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 1744 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|2,0,0]=4 1745 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|2,0,0]=4 1746 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|2,0,0]=4 1747 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|2,0,0]=4 1748 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|0,1,1]=4 1749 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|0,1,1]=4 1750 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,1,0,0,0,0|0,1,1]=4 1751 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|0,1,1]=4 1752 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|0,1,1]=4 1753 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|0,1,1]=4 1754 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|0,1,1]=4 1755 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,1,0,0,0,0|1,0,1]=4 1756 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1757 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1758 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|2,0,0]=4 1759 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1760 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1761 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1762 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|2,0,0]=4 1763 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1764 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1765 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|2,0,0]=4 1766 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1767 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1768 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1769 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1770 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|2,0,0]=4 1771 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1772 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|2,0,0]=4 1773 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1774 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 1775 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1776 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 1777 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 1779 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1780 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 1781 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|2,0,0]=4 1782 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|2,0,0]=4 1783 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1784 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1786 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 1787 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1788 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 1789 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 1791 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1792 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1796 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|2,0,0]=4 1797 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,0]=3 1798 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,0]=3 1799 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|2,0,0]=4 1800 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|2,0,0]=4 1802 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|2,0,0]=4 1803 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|2,0,0]=4 1804 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|2,0,0]=4 1805 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|2,0,0]=4 1806 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|2,0,0]=4 1808 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|2,0,0]=4 1809 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|2,0,0]=4 1810 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|2,0,0]=4 1811 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|2,0,0]=4 1813 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|2,0,0]=4 1814 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 1815 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 1816 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 1817 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|2,0,0]=4 1818 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|1,0,1]=4 1819 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1820 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1821 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 1822 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 1823 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 1824 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,1,0,0,0,0|1,0,1]=4 1825 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,1,0,0,0,0|0,0,2]=4 1826 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,1,0,0,0,0|0,0,2]=4 1827 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,1,0,0,0,0|0,0,2]=4 1828 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [1,1,0,0,0,0|0,0,2]=4 1829 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [1,1,0,0,0,0|0,0,2]=4 1830 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,1,0,0,0,0|1,0,0]=3 1831 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,1,0,0,0,0|1,0,0]=3 1832 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,1,0,0,0,0|1,0,0]=3 1833 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|1,0,0]=3 1834 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|1,0,0]=3 1835 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|2,0,0]=4 1836 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|2,0,0]=4 1837 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|2,0,0]=4 1838 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|2,0,0]=4 1839 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|2,0,0]=4 1840 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,1,0,0,0,0|0,0,2]=4 1841 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,1,0,0,0,0|2,0,0]=4 1842 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|1,0,0]=3 1843 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|1,0,0]=3 1844 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,1,0,0,0,0|2,0,0]=4 1845 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,1,0,0,0,0|2,0,0]=4 1846 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|2,0,0]=4 1847 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,1,0,0,0,0|2,0,0]=4 1848 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|1,1,0]=4 1849 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|1,1,0]=4 1850 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,1,0,0,0,0|1,0,1]=4 1851 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,1,0,0,0,0|1,0,1]=4 1852 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,1]=4 1853 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,1]=4 1854 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,1]=4 1855 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 1856 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 1857 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 1858 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|1,0,1]=4 1859 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [1,1,0,0,0,0|1,0,1]=4 1862 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [1,1,0,0,0,0|1,0,1]=4 1863 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,1,0,0,0,0|1,0,1]=4 1865 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,1,0,0,0,0|1,0,1]=4 1866 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [1,1,0,0,0,0|1,0,1]=4 1867 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [1,1,0,0,0,0|1,0,1]=4 1868 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [1,1,0,0,0,0|1,0,1]=4 1869 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [1,1,0,0,0,0|1,0,1]=4 1870 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|0,0,2]=4 1871 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [1,1,0,0,0,0|1,0,1]=4 1872 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [1,1,0,0,0,0|0,0,1]=3 1873 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [1,1,0,0,0,0|0,0,1]=3 1874 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [1,1,0,0,0,0|1,0,1]=4 1875 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,1,0,0,0,0|1,0,1]=4 1876 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [1,1,0,0,0,0|1,0,1]=4 1877 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [1,1,0,0,0,0|1,0,1]=4 1878 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,1,0,0,0,0|1,0,1]=4 1879 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,1,0,0,0,0|0,1,1]=4 1880 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,1,0,0,0,0|0,1,1]=4 1881 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [1,1,0,0,0,0|1,0,1]=4 1882 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [1,1,0,0,0,0|1,0,1]=4 1883 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,1,0,0,0,0|1,0,1]=4 1884 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,1,0,0,0,0|1,0,1]=4 1885 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,1,0,0,0,0|1,0,1]=4 1886 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [1,1,0,0,0,0|1,0,1]=4 1887 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [1,1,0,0,0,0|1,0,1]=4 1888 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [1,1,0,0,0,0|1,0,1]=4 1889 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [1,1,0,0,0,0|1,0,1]=4 1890 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [1,1,0,0,0,0|1,0,1]=4 1891 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [1,1,0,0,0,0|1,0,1]=4 1892 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [1,1,0,0,0,0|1,0,1]=4 1893 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [1,1,0,0,0,0|1,0,1]=4 1894 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|2,0,0]=4 1895 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|2,0,0]=4 1896 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|1,0,1]=4 1897 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|1,0,1]=4 1898 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,0]=3 1899 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,0]=3 1900 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,0]=3 1901 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1902 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1903 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,0,0]=3 1904 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,0,0]=3 1905 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1906 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1907 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|2,0,0]=4 1908 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|2,0,0]=4 1909 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|1,0,1]=4 1910 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|1,0,0]=3 1911 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|1,0,0]=3 1912 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|1,0,0]=3 1913 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 1914 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 1915 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 1916 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,1,0,0,0,0|1,0,1]=4 1917 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 1918 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 1919 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 1920 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|1,0,0]=3 1921 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,0,0]=3 1922 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,0,0]=3 1923 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|1,0,0]=3 1924 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|1,0,0]=3 1925 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|1,0,0]=3 1926 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|1,0,0]=3 1927 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|2,0,0]=4 1928 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|0,0,0]=2 1929 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|0,0,0]=2 1930 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,1,0,0,0,0|1,0,0]=3 1931 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,1,0,0,0,0|1,0,0]=3 1932 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [1,1,0,0,0,0|1,0,0]=3 1933 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [1,1,0,0,0,0|1,0,1]=4 1934 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 1935 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 1936 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|1,0,1]=4 1937 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 1938 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 1939 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,1]=4 1940 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,1]=4 1941 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,1,0,0,0,0|1,0,1]=4 1942 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,1,0,0,0,0|1,0,1]=4 1943 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,1,0,0,0,0|2,0,0]=4 1944 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,1,0,0,0,0|1,0,0]=3 1946 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,1,0,0,0,0|1,0,0]=3 1947 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,1,0,0,0,0|1,0,1]=4 1948 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,1,0,0,0,0|1,0,1]=4 1949 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,1,0,0,0,0|1,0,1]=4 1950 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,1,0,0,0,0|1,0,1]=4 1951 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,1,0,0,0,0|1,0,1]=4 1952 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,1,0,0,0,0|1,0,1]=4 1953 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,1,0,0,0,0|1,0,1]=4 1954 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,1,0,0,0,0|1,0,1]=4 1955 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,1,0,0,0,0|0,0,0]=2 1956 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,1,0,0,0,0|0,0,1]=3 1957 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,1,0,0,0,0|0,0,1]=3 1958 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,1,0,0,0,0|0,0,1]=3 1959 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|0,0,1]=3 1960 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|0,1,0]=3 1961 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|0,1,0]=3 1962 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,1,0,0,0,0|0,1,1]=4 1963 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,1,0,0,0,0|0,1,1]=4 1964 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|0,1,1]=4 1965 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|0,1,1]=4 1966 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|1,0,1]=4 1968 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|1,0,1]=4 1969 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|1,0,1]=4 1970 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|1,0,1]=4 1972 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|1,0,1]=4 1973 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,1,0,0,0,0|1,0,1]=4 1974 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|1,0,1]=4 1977 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|1,0,1]=4 1978 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|1,0,1]=4 1979 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 1980 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 1981 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,1,0,0,0,0|2,0,0]=4 1982 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,1,0,0,0,0|2,0,0]=4 1983 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,1,0,0,0,0|2,0,0]=4 1984 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,1,0,0,0,0|2,0,0]=4 1985 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [1,1,0,0,0,0|1,0,0]=3 1986 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [1,1,0,0,0,0|1,0,1]=4 1987 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|1,0,1]=4 1988 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,1,0,0,0,0|2,0,0]=4 1989 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|2,0,0]=4 1990 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,1,0,0,0,0|1,0,1]=4 1991 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,1,0,0,0,0|1,0,1]=4 1992 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,1,0,0,0,0|1,1,0]=4 1993 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,1,0,0,0,0|1,1,0]=4 1994 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 1995 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 1996 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 1997 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,1,0,0,0,0|2,0,0]=4 1998 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,1,0,0,0,0|2,0,0]=4 1999 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,1,0,0,0,0|1,0,0]=3 2000 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,1,0,0,0,0|1,0,0]=3 2001 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,1,0,0,0,0|1,0,0]=3 2002 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|1,0,0]=3 2003 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|1,0,0]=3 2004 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|1,0,1]=4 2006 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|1,0,1]=4 2007 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [1,1,0,0,0,0|2,0,0]=4 2008 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|1,0,0]=3 2009 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|1,0,0]=3 2010 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,0]=3 2011 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,0]=3 2012 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,0]=3 2013 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,0]=3 2014 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,0]=3 2015 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2016 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2017 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,0]=3 2018 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,0]=3 2019 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|1,0,1]=4 2020 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|1,0,1]=4 2021 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|1,0,1]=4 2022 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|1,0,1]=4 2023 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2024 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,1]=4 2025 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2026 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2027 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,1]=4 2028 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|2,0,0]=4 2029 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|2,0,0]=4 2030 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 2031 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|1,0,1]=4 2032 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|1,0,1]=4 2033 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|1,0,0]=3 2034 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,0,0]=2 2035 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,0,0]=2 2036 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,0]=3 2037 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,0,0]=2 2038 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,0,0]=3 2039 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 2040 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|0,0,1]=3 2041 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|0,0,1]=3 2042 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|1,0,1]=4 2043 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|0,0,2]=4 2044 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 2045 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 2046 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|0,0,2]=4 2047 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,1,0,0,0,0|2,0,0]=4 2048 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,1,0]=3 2049 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,1,0]=4 2050 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,1,0]=4 2051 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,1,0]=3 2052 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,1,0]=4 2053 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,1,0]=4 2054 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|0,1,1]=4 2055 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|0,1,1]=4 2056 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|2,0,0]=4 2057 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|2,0,0]=4 2059 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|1,0,1]=4 2060 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|1,0,1]=4 2061 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,1,0,0,0,0|1,0,1]=4 2062 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2064 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2065 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|0,0,2]=4 2066 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|0,0,2]=4 2067 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,0]=3 2068 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,0]=3 2069 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 2070 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,0]=3 2071 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 2072 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,0]=3 2075 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 2076 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|0,0,1]=3 2077 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|0,0,1]=3 2078 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|0,0,1]=3 2079 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,1]=4 2080 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,1,0,0,0,0|1,0,1]=4 2081 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,1,0,0,0,0|1,0,1]=4 2082 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 2083 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|0,0,0]=2 2084 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,1,0,0,0,0|0,0,1]=3 2085 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|0,0,1]=3 2086 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|0,0,1]=3 2087 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|2,0,0]=4 2088 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|2,0,0]=4 2089 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,0]=3 2090 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,0]=3 2091 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,0]=3 2092 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,0]=3 2093 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|2,0,0]=4 2094 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|2,0,0]=4 2095 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,0]=3 2096 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|0,1,1]=4 2097 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|0,1,1]=4 2098 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|0,0,0]=2 2099 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|0,0,0]=2 2100 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,1,0,0,0,0|0,1,1]=4 2101 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,1,0,0,0,0|0,1,1]=4 2102 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,1,0,0,0,0|2,0,0]=4 2103 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,1,0,0,0,0|2,0,0]=4 2104 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 2105 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|2,0,0]=4 2106 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 2107 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,0]=3 2108 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,0]=3 2109 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|2,0,0]=4 2110 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|2,0,0]=4 2111 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|2,0,0]=4 2112 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 2113 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 2114 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|1,0,1]=4 2115 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|1,0,1]=4 2116 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|1,0,1]=4 2117 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|2,0,0]=4 2118 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|1,0,0]=3 2119 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 2120 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 2121 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2122 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2123 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2124 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|0,0,0]=2 2125 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|0,0,0]=2 2126 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|1,0,0]=3 2127 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|1,0,0]=3 2128 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,1,0,0,0,0|1,0,1]=4 2129 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,1,0,0,0,0|1,0,1]=4 2130 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,1,0,0,0,0|1,0,1]=4 2131 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,1,0,0,0,0|1,0,1]=4 2132 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,1,0,0,0,0|1,0,1]=4 2133 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2134 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 2135 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2136 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,1,0,0,0,0|2,0,0]=4 2137 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 2138 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|1,0,1]=4 2139 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|1,0,1]=4 2140 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|2,0,0]=4 2141 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,0]=3 2142 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,0]=3 2143 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 2144 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,0]=3 2145 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,0]=3 2146 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|2,0,0]=4 2147 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,0]=3 2148 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2149 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|1,0,1]=4 2150 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2151 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 2152 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 2153 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|1,0,0]=3 2154 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|1,0,0]=3 2155 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 2156 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,1,0,0,0,0|2,0,0]=4 2157 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,1,0,0,0,0|2,0,0]=4 2158 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,1,0,0,0,0|2,0,0]=4 2159 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,1,0,0,0,0|2,0,0]=4 2160 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|0,0,0]=2 2161 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|1,0,0]=3 2162 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|1,0,0]=3 2163 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|1,0,1]=4 2164 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|1,0,1]=4 2166 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|1,0,1]=4 2167 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,1,0,0,0,0|2,0,0]=4 2169 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,1,0,0,0,0|2,0,0]=4 2170 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,1,0,0,0,0|2,0,0]=4 2171 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,1,0,0,0,0|2,0,0]=4 2172 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,1,0,0,0,0|2,0,0]=4 2173 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,1,0,0,0,0|1,0,1]=4 2174 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,1,0,0,0,0|0,1,1]=4 2175 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,1,0,0,0,0|0,1,1]=4 2176 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|2,0,0]=4 2177 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|2,0,0]=4 2178 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|2,0,0]=4 2179 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,0,0]=3 2180 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,0,0]=3 2181 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,0,0]=3 2182 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|2,0,0]=4 2183 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|2,0,0]=4 2184 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,0,0]=3 2185 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,1]=4 2186 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,1]=4 2187 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 2188 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 2189 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 2190 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|1,0,0]=3 2191 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|1,0,0]=3 2192 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|1,0,0]=3 2193 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 2194 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,1,0,0,0,0|2,0,0]=4 2196 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,1,0,0,0,0|2,0,0]=4 2197 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,1,0,0,0,0|2,0,0]=4 2198 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|0,0,0]=2 2199 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|0,0,0]=2 2200 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|1,0,0]=3 2201 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|1,0,0]=3 2202 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|1,0,1]=4 2203 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|1,0,1]=4 2204 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|1,0,1]=4 2205 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|1,0,1]=4 2206 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|1,0,1]=4 2207 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,1,0,0,0,0|2,0,0]=4 2208 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,1,0,0,0,0|2,0,0]=4 2209 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,1,0,0,0,0|2,0,0]=4 2210 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,1,0,0,0,0|2,0,0]=4 2211 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,1,0,0,0,0|1,0,1]=4 2212 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,1,0,0,0,0|1,0,1]=4 2213 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|1,0,0]=3 2214 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,1,0,0,0,0|1,0,1]=4 2215 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|0,0,1]=3 2216 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,1,0,0,0,0|1,0,1]=4 2218 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,1,0,0,0,0|1,0,1]=4 2219 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|0,1,1]=4 2220 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|0,1,1]=4 2221 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [1,1,0,0,0,0|1,0,0]=3 2222 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [1,1,0,0,0,0|1,0,1]=4 2223 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 2224 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [1,1,0,0,0,0|1,0,0]=3 2225 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [1,1,0,0,0,0|1,0,1]=4 2226 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 2227 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2228 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,1,0,0,0,0|1,0,1]=4 2229 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,1,0,0,0,0|1,1,0]=4 2230 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,1,0,0,0,0|1,1,0]=4 2231 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|2,0,0]=4 2232 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|2,0,0]=4 2233 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|2,0,0]=4 2234 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|2,0,0]=4 2235 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [1,1,0,0,0,0|2,0,0]=4 2236 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|1,0,1]=4 2237 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,0]=3 2238 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|1,0,0]=3 2239 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|2,0,0]=4 2240 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2241 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 2242 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|1,0,0]=3 2243 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|2,0,0]=4 2244 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|2,0,0]=4 2245 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 2246 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 2247 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|1,0,0]=3 2248 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|1,0,0]=3 2249 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|2,0,0]=4 2250 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|2,0,0]=4 2251 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|2,0,0]=4 2252 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|2,0,0]=4 2253 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2255 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|2,0,0]=4 2256 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|2,0,0]=4 2257 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [1,1,0,0,0,0|1,0,1]=4 2258 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2259 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2260 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|2,0,0]=4 2261 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|2,0,0]=4 2262 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|1,0,1]=4 2263 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|1,0,1]=4 2264 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|1,0,1]=4 2265 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,0]=3 2266 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2267 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2268 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|1,0,0]=3 2269 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|1,0,0]=3 2270 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|1,0,0]=3 2271 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|1,0,0]=3 2272 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|1,0,0]=3 2273 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|1,0,0]=3 2274 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|2,0,0]=4 2275 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|2,0,0]=4 2276 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,1,0,0,0,0|1,0,1]=4 2278 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|2,0,0]=4 2279 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|2,0,0]=4 2280 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|0,0,1]=3 2282 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2283 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|2,0,0]=4 2284 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|2,0,0]=4 2285 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2286 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|2,0,0]=4 2287 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2288 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2289 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|2,0,0]=4 2290 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|2,0,0]=4 2291 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|2,0,0]=4 2292 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2293 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2294 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|2,0,0]=4 2295 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|2,0,0]=4 2296 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|2,0,0]=4 2297 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|2,0,0]=4 2298 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2299 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2300 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|2,0,0]=4 2301 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|2,0,0]=4 2302 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|2,0,0]=4 2303 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|2,0,0]=4 2304 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|2,0,0]=4 2305 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|2,0,0]=4 2306 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|2,0,0]=4 2307 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|2,0,0]=4 2308 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|2,0,0]=4 2309 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|2,0,0]=4 2310 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [1,1,0,0,0,0|1,0,1]=4 2311 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|2,0,0]=4 2312 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|2,0,0]=4 2313 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [1,1,0,0,0,0|2,0,0]=4 2314 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [1,1,0,0,0,0|2,0,0]=4 2315 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [1,1,0,0,0,0|1,0,1]=4 2316 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [1,1,0,0,0,0|1,0,1]=4 2317 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [1,1,0,0,0,0|1,0,1]=4 2318 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [1,1,0,0,0,0|1,0,1]=4 2319 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [1,1,0,0,0,0|1,0,1]=4 2320 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [1,1,0,0,0,0|1,0,1]=4 2321 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [1,1,0,0,0,0|1,0,1]=4 2322 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|0,0,1]=3 2323 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|0,0,1]=3 2324 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|0,0,1]=3 2325 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|0,0,1]=3 2326 B7R0.8 CCOCC(C)(F)F 34a_100000068830_100000210202 [1,1,0,0,0,0|1,0,1]=4 2327 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [1,1,0,0,0,0|0,1,1]=4 2328 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [1,1,0,0,0,0|0,1,1]=4 2329 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [1,1,0,0,0,0|0,1,1]=4 2330 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [1,1,0,0,0,0|0,1,1]=4 2331 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [1,1,0,0,0,0|0,1,1]=4 2332 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [1,1,0,0,0,0|0,1,1]=4 2333 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|2,0,0]=4 2334 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|2,0,0]=4 2335 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|2,0,0]=4 2336 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|2,0,0]=4 2337 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|2,0,0]=4 2338 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|2,0,0]=4 2339 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|2,0,0]=4 2340 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|2,0,0]=4 2341 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|2,0,0]=4 2342 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|2,0,0]=4 2343 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|2,0,0]=4 2344 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|2,0,0]=4 2345 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|2,0,0]=4 2346 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|2,0,0]=4 2347 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|2,0,0]=4 2348 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,1,0|0,0,0]=2 2349 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,1,0|0,0,0]=2 2350 B7R0.9 CC(=O)CC(F)(F)F 1458a_100000245130_200000210301 [0,1,0,0,1,0|2,0,0]=4 2351 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,0,0,1,0|2,0,0]=4 2352 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,1,0|1,0,0]=3 2353 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,1,0|0,1,0]=3 2354 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,1,0|0,1,0]=3 2355 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,1,0|1,0,0]=3 2356 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,1,0|1,0,0]=3 2357 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,1,0|1,0,0]=3 2358 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,1,0|1,0,0]=3 2359 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,1,0|0,0,0]=2 2360 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,1,0|0,0,0]=2 2361 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,1,0,0,1,0|1,0,1]=4 2362 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,1,0,0,1,0|1,0,1]=4 2363 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,1,0,0,1,0|1,0,1]=4 2364 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,1,0,0,1,0|2,0,0]=4 2365 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,1,0,0,1,0|2,0,0]=4 2366 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,1,0,0,1,0|2,0,0]=4 2367 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,1,0,0,1,0|2,0,0]=4 2368 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,1,0,0,1,0|2,0,0]=4 2369 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,1,0,0,1,0|2,0,0]=4 2370 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,1,0,0,1,0|2,0,0]=4 2371 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,1,0,0,1,0|2,0,0]=4 2372 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,1,0,0,1,0|2,0,0]=4 2373 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,0,0,1,0|2,0,0]=4 2374 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,1,0|1,0,0]=3 2375 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,1,0|0,1,0]=3 2376 B7R0.9 [13CH3]C(=O)CC(F)(F)F 1458a_100000245130_200025704644 [0,1,0,0,1,0|2,0,0]=4 2377 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,1,0|1,0,1]=4 2378 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,1,0|1,0,1]=4 2379 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,1,0|1,0,1]=4 2380 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,1,0|0,0,0]=2 2381 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,1,0|1,0,0]=3 2382 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,1,0|1,0,0]=3 2383 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,1,0|1,0,0]=3 2384 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,1,0|1,0,0]=3 2385 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,1,0|1,0,0]=3 2386 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,1,0|1,0,0]=3 2387 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,1,0|1,0,0]=3 2388 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,1,0|0,0,0]=2 2389 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,1,0|2,0,0]=4 2390 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,1,0|2,0,0]=4 2391 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,1,0|2,0,0]=4 2392 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,1,0|2,0,0]=4 2393 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,1,0|0,0,0]=2 2394 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,1,0|2,0,0]=4 2395 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,1,0|2,0,0]=4 2396 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,1,0|2,0,0]=4 2397 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,1,0|2,0,0]=4 2398 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,1,0|0,0,0]=2 2399 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,1,0|1,0,1]=4 2400 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,1,0|2,0,0]=4 2401 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,1,0|2,0,0]=4 2402 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,1,0|1,0,0]=3 2403 B9R0.1 C#C/C(=C\COC(C)C)/C 34a_100016990848_100000210206 [0,1,0,0,0,1|2,0,0]=4 2404 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,1|1,0,1]=4 2405 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,1,0,0,0,1|1,0,1]=4 2406 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,1,0,0,0,1|1,0,1]=4 2407 B9R0.1 C#CC(C)NCOC(=O)C 34a_100000707721_100009813279 [0,1,0,0,0,1|0,0,1]=3 2408 B9R0.1 C#CC(C)OCCC(=O)C 34a_100000759926_200000035995 [0,1,0,0,0,1|1,0,1]=4 2409 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [0,1,0,0,0,1|1,0,1]=4 2410 B9R0.1 C#CC(C)SCCC(=O)C 62a_200000035995_100000053229 [0,1,0,0,0,1|1,0,1]=4 2411 B9R0.1 C#CC(C)SCOC(=O)C 62a_200000035995_100000076356 [0,1,0,0,0,1|0,0,1]=3 2412 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7a_100009815206_100000053229 [0,1,0,0,0,1|1,0,1]=4 2413 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [0,1,0,0,0,1|1,0,1]=4 2414 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [0,1,0,0,0,1|1,0,1]=4 2415 B9R0.1 C#C[C@@H](C)OCOC(=O)C 34a_100009815206_100009813279 [0,1,0,0,0,1|0,0,1]=3 2416 B9R0.1 C#C[C@@H](C)OCOC(C)C 34a_100009815206_100000709892 [0,1,0,0,0,1|1,0,1]=4 2417 B9R0.1 C=C(C#N)COCC(C)C 34a_100000210257_100000694840 [0,1,0,0,0,1|1,0,1]=4 2418 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,1|2,0,0]=4 2419 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,1,0,0,0,1|2,0,0]=4 2420 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,1|2,0,0]=4 2421 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,1|2,0,0]=4 2422 B9R0.1 C=C(C)CCOC(C)CF 34a_100016041109_100000730704 [0,1,0,0,0,1|2,0,0]=4 2423 B9R0.1 C=C(C)CCOC(C)CF 7a_100016041109_100000730704 [0,1,0,0,0,1|2,0,0]=4 2424 B9R0.1 C=C(C)CCOC(C)CN 34a_100000210904_100000730704 [0,1,0,0,0,1|2,0,0]=4 2425 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,1,0,0,0,1|2,0,0]=4 2426 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,1|2,0,0]=4 2427 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,1|2,0,0]=4 2428 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,1,0,0,0,1|2,0,0]=4 2429 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,1,0,0,0,1|2,0,0]=4 2430 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,1,0,0,0,1|2,0,0]=4 2431 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,1,0,0,0,1|2,0,0]=4 2432 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,1,0,0,0,1|2,0,0]=4 2433 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,1|2,0,0]=4 2434 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,1,0,0,0,1|2,0,0]=4 2435 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,1,0,0,0,1|2,0,0]=4 2436 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,1,0,0,0,1|0,0,2]=4 2437 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,1,0,0,0,1|0,0,2]=4 2438 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,1,0,0,0,1|0,0,2]=4 2439 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,1|0,0,2]=4 2440 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,1|1,0,0]=3 2441 B9R0.1 C=C(C)COCC(C)CN 34a_100000744482_100000748629 [0,1,0,0,0,1|1,0,0]=3 2442 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,1,0,0,0,1|1,0,0]=3 2443 B9R0.1 C=C(C)COCC(Cl)CCl 34a_100000033668_100000748629 [0,1,0,0,0,1|2,0,0]=4 2444 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,1,0,0,0,1|2,0,0]=4 2445 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,1,0,0,0,1|2,0,0]=4 2446 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,1|1,0,0]=3 2447 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,1|1,0,0]=3 2448 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,1,0,0,0,1|1,0,0]=3 2449 B9R0.1 C=C(C)COC[C@@H](O)CF 34a_100000210245_100015614560 [0,1,0,0,0,1|2,0,0]=4 2450 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,1,0,0,0,1|2,0,0]=4 2451 B9R0.1 C=C(C)COC[C@H](F)CN 34a_100015665980_100000748629 [0,1,0,0,0,1|2,0,0]=4 2452 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,1|1,1,0]=4 2453 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,1|1,1,0]=4 2454 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,1|1,1,0]=4 2455 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,1|1,1,0]=4 2456 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,1,0,0,0,1|1,1,0]=4 2457 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,1,0,0,0,1|1,1,0]=4 2458 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,1,0,0,0,1|1,0,1]=4 2459 B9R0.1 C=C(F)COCC(C)CN 34a_100000744482_100009893438 [0,1,0,0,0,1|1,0,1]=4 2460 B9R0.1 C=C(F)COCC(C)OC 34a_100000690652_100009893438 [0,1,0,0,0,1|1,0,1]=4 2461 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,1,0,0,0,1|1,0,1]=4 2462 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,1,0,0,0,1|1,0,1]=4 2463 B9R0.1 C=C(F)COC[C@@H](C)CO 34a_200010262243_100000059175 [0,1,0,0,0,1|1,0,1]=4 2464 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,1|1,0,1]=4 2465 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,1|1,0,1]=4 2466 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,1|1,0,1]=4 2467 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,1|1,0,1]=4 2468 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,1|1,0,1]=4 2469 B9R0.1 C=CC(=O)NNCC(C)C 22a_100000696102_100000185746 [0,1,0,0,0,1|1,0,1]=4 2470 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,1,0,0,0,1|1,0,1]=4 2471 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,1,0,0,0,1|1,0,1]=4 2472 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [0,1,0,0,0,1|1,0,1]=4 2473 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [0,1,0,0,0,1|1,0,1]=4 2474 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [0,1,0,0,0,1|1,0,1]=4 2475 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [0,1,0,0,0,1|1,0,1]=4 2476 B9R0.1 C=CC(C)COCC(=O)[O-] 34a_100011215527_100020667443 [0,1,0,0,0,1|1,0,1]=4 2477 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [0,1,0,0,0,1|1,0,1]=4 2478 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [0,1,0,0,0,1|1,0,1]=4 2479 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,1,0,0,0,1|1,0,1]=4 2480 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,1,0,0,0,1|0,0,1]=3 2481 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [0,1,0,0,0,1|1,0,1]=4 2482 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,1,0,0,0,1|1,0,1]=4 2483 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,1,0,0,0,1|0,0,1]=3 2484 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,1,0,0,0,1|1,0,1]=4 2485 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,1|1,0,1]=4 2486 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,1|2,0,0]=4 2487 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,1|2,0,0]=4 2488 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,1|1,0,1]=4 2489 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,1,0,0,0,1|2,0,0]=4 2490 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,1,0,0,0,1|2,0,0]=4 2491 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [0,1,0,0,0,1|2,0,0]=4 2492 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [0,1,0,0,0,1|2,0,0]=4 2493 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [0,1,0,0,0,1|2,0,0]=4 2494 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,1,0,0,0,1|2,0,0]=4 2495 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,1,0,0,0,1|2,0,0]=4 2496 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,1,0,0,0,1|2,0,0]=4 2497 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,1,0,0,0,1|2,0,0]=4 2498 B9R0.1 CC(=O)CCOC(C)C#N 7a_100000759926_100000703298 [0,1,0,0,0,1|1,0,1]=4 2499 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,1|1,0,0]=3 2500 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,1|1,0,0]=3 2501 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,1|1,0,0]=3 2502 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000053229_100000703298 [0,1,0,0,0,1|1,0,1]=4 2503 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000703298_100000053229 [0,1,0,0,0,1|1,0,1]=4 2504 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,1|1,0,0]=3 2505 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,1|1,0,0]=3 2506 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,1|1,0,0]=3 2507 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,1|1,0,0]=3 2508 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,1|0,0,0]=2 2509 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,1|1,0,0]=3 2510 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,1|1,0,0]=3 2511 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,1|1,0,0]=3 2512 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,1|1,0,0]=3 2513 B9R0.1 CC(=O)NNCC(C)C#N 22a_100000045663_100000070787 [0,1,0,0,0,1|1,0,1]=4 2514 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,1|1,0,1]=4 2515 B9R0.1 CC(=O)OCOC(C)C#N 34a_100011218135_100009813279 [0,1,0,0,0,1|0,0,1]=3 2516 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,1|0,0,0]=2 2517 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,1|0,0,0]=2 2518 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000076356_100000703298 [0,1,0,0,0,1|0,0,1]=3 2519 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000703298_100000076356 [0,1,0,0,0,1|0,0,1]=3 2520 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,1|0,0,0]=2 2521 B9R0.1 CC(=O)OCSC(F)C#N 62a_100000076356_200000117898 [0,1,0,0,0,1|1,0,1]=4 2522 B9R0.1 CC(=O)OCSC(F)C#N 62a_200000117898_100000076356 [0,1,0,0,0,1|1,0,1]=4 2523 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,1|0,0,0]=2 2524 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,1|0,0,0]=2 2525 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [0,1,0,0,0,1|1,0,1]=4 2526 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,1|1,0,1]=4 2527 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,1|1,0,0]=3 2528 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,1|1,0,0]=3 2529 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,1|1,0,0]=3 2530 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,1|1,0,0]=3 2531 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [0,1,0,0,0,1|1,0,1]=4 2532 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [0,1,0,0,0,1|1,0,1]=4 2533 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,1,0,0,0,1|1,0,1]=4 2534 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,1,0,0,0,1|1,0,1]=4 2535 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,1,0,0,0,1|1,0,1]=4 2536 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,1|0,0,2]=4 2537 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,1|0,0,2]=4 2538 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,1,0,0,0,1|1,0,0]=3 2539 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,1,0,0,0,1|0,0,0]=2 2540 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [0,1,0,0,0,1|1,0,1]=4 2541 B9R0.1 CC(C)COCC(Cl)CCl 34a_100000033668_100000210624 [0,1,0,0,0,1|1,0,1]=4 2542 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,0,0,0,1|0,0,2]=4 2543 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,0,0,0,1|0,0,2]=4 2544 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,0,0,0,1|0,0,2]=4 2545 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,0,0,0,1|0,0,2]=4 2546 B9R0.1 CC(C)COC[C@H](F)CN 34a_100015665980_100000210624 [0,1,0,0,0,1|1,0,1]=4 2547 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,1|1,0,0]=3 2548 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [0,1,0,0,0,1|1,0,1]=4 2549 B9R0.1 CC(C)OCOC(C)C#N 34a_100011218135_100000709892 [0,1,0,0,0,1|1,0,1]=4 2550 B9R0.1 CC(C)OCOC(C)CF 34a_100016041109_100000709892 [0,1,0,0,0,1|1,0,1]=4 2551 B9R0.1 CC(C)OCOC(C)CN 34a_100000210904_100000709892 [0,1,0,0,0,1|1,0,1]=4 2552 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [0,1,0,0,0,1|1,0,1]=4 2553 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [0,1,0,0,0,1|1,0,1]=4 2554 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [0,1,0,0,0,1|1,0,1]=4 2555 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,1|1,0,0]=3 2556 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,1|2,0,0]=4 2557 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,1,0,0,0,1|2,0,0]=4 2558 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,1,0,0,0,1|2,0,0]=4 2559 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,1|1,0,0]=3 2560 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,1|1,0,0]=3 2561 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,1|0,0,2]=4 2562 B9R0.1 CC(CN)COC[N+](=O)[O-] 34a_100000744482_100000761209 [0,1,0,0,0,1|2,0,0]=4 2563 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,1|2,0,0]=4 2564 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,1|2,0,0]=4 2565 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,1|2,0,0]=4 2566 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,1,0,0,0,1|2,0,0]=4 2567 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,1,0,0,0,1|2,0,0]=4 2568 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,1,0,0,0,1|2,0,0]=4 2569 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [0,1,0,0,0,1|1,0,1]=4 2570 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,1|2,0,0]=4 2571 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,1|2,0,0]=4 2572 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,1|2,0,0]=4 2573 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,1,0,0,0,1|2,0,0]=4 2574 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,1,0,0,0,1|0,0,2]=4 2575 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,1|1,0,1]=4 2576 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,1,0,0,0,1|2,0,0]=4 2577 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,1|1,0,1]=4 2578 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,1|1,0,0]=3 2579 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,1|1,0,0]=3 2580 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,1|2,0,0]=4 2581 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,1|2,0,0]=4 2582 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,1|1,0,1]=4 2583 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,1|1,0,0]=3 2584 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,1|1,0,0]=3 2585 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,1|0,0,0]=2 2586 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,1|0,0,0]=2 2587 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,1|1,0,0]=3 2588 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,1,0,0,0,1|2,0,0]=4 2589 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,1|1,0,0]=3 2590 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,1|0,1,0]=3 2591 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,1|0,1,0]=3 2592 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,1|1,1,0]=4 2593 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,1|1,1,0]=4 2594 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,1|1,1,0]=4 2595 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,1|1,1,0]=4 2596 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,1,0,0,0,1|1,0,1]=4 2597 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,1,0,0,0,1|1,0,1]=4 2598 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,1,0,0,0,1|1,0,1]=4 2599 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2600 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2601 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2602 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,1|1,0,0]=3 2603 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,1|2,0,0]=4 2604 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,1|2,0,0]=4 2605 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,1|2,0,0]=4 2606 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,1|2,0,0]=4 2607 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,1,0,0,0,1|1,0,1]=4 2608 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,0,0,0,1|1,0,0]=3 2609 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,0,0,0,1|2,0,0]=4 2610 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,0,0,0,1|1,0,1]=4 2611 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,1|1,0,0]=3 2612 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,1|1,0,0]=3 2613 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,1|1,0,0]=3 2614 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,1|1,0,0]=3 2615 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,1|1,0,1]=4 2616 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,1|2,0,0]=4 2617 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,1|2,0,0]=4 2618 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,1|2,0,0]=4 2619 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,1|0,0,0]=2 2620 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,1,0,0,0,1|1,0,1]=4 2621 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,1,0,0,0,1|1,0,1]=4 2622 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,1,0,0,0,1|1,0,1]=4 2623 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,1,0,0,0,1|1,0,1]=4 2624 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,1,0,0,0,1|1,0,1]=4 2625 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,1|1,1,0]=4 2626 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,1|1,1,0]=4 2627 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,1|1,1,0]=4 2628 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,1|1,1,0]=4 2629 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,1,0,0,0,1|2,0,0]=4 2630 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,1,0,0,0,1|2,0,0]=4 2631 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,0,0,0,1|2,0,0]=4 2632 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,1,0,0,0,1|1,0,1]=4 2633 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,1|2,0,0]=4 2634 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,1,0,0,0,1|2,0,0]=4 2635 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,1,0,0,0,1|2,0,0]=4 2636 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,1|1,0,0]=3 2637 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,1|1,0,0]=3 2638 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,1|1,0,0]=3 2639 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,0,0,0,1|2,0,0]=4 2640 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,0,0,0,1|2,0,0]=4 2641 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,0,0,0,1|2,0,0]=4 2642 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,1|1,0,1]=4 2643 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,1|1,0,1]=4 2644 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,1|1,0,1]=4 2645 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,1,0,0,0,1|2,0,0]=4 2646 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,1,0,0,0,1|2,0,0]=4 2647 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,1|1,0,0]=3 2648 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,1|1,0,0]=3 2649 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,0,0,0,1|2,0,0]=4 2650 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,0,0,0,1|2,0,0]=4 2651 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,1|0,0,0]=2 2652 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,1|0,0,0]=2 2653 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,1,0,0,0,1|1,0,1]=4 2654 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,1,0,0,0,1|1,0,1]=4 2655 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,1|2,0,0]=4 2656 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,1|1,0,0]=3 2657 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,1|0,0,2]=4 2658 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,1|2,0,0]=4 2659 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,1|2,0,0]=4 2660 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,1|2,0,0]=4 2661 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,1|2,0,0]=4 2662 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,1|1,0,0]=3 2663 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,1,0,0,0,1|2,0,0]=4 2664 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,1|2,0,0]=4 2665 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,1|2,0,0]=4 2666 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,1|0,0,0]=2 2667 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,1|1,0,0]=3 2668 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,1,0,0,0,1|1,0,1]=4 2669 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,1,0,0,0,1|1,0,1]=4 2670 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,1,0,0,0,1|1,0,1]=4 2671 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,1,0,0,0,1|1,0,1]=4 2672 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,1|0,0,2]=4 2673 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,1,0,0,0,1|1,0,1]=4 2674 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,1,0,0,0,1|1,0,1]=4 2675 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,1|0,0,2]=4 2676 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,1|1,1,0]=4 2677 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,1|1,1,0]=4 2678 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,1|1,1,0]=4 2679 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,1|1,1,0]=4 2680 B9R0.1 CN(C)CC=CC(=O)CF 1458a_100000754359_100015361967 [0,1,0,0,0,1|2,0,0]=4 2681 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,1|2,0,0]=4 2682 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,1|2,0,0]=4 2683 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,1|2,0,0]=4 2684 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,1|1,0,1]=4 2685 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,1|1,0,1]=4 2686 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,1|1,0,1]=4 2687 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,1,0,0,0,1|2,0,0]=4 2688 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,1|1,0,0]=3 2689 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,1|1,0,0]=3 2690 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,1|1,0,0]=3 2691 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,1|1,0,0]=3 2692 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,1|2,0,0]=4 2693 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,1|2,0,0]=4 2694 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,1|2,0,0]=4 2695 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,1|2,0,0]=4 2696 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,1|2,0,0]=4 2697 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,1|2,0,0]=4 2698 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,1|1,0,0]=3 2699 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,1|1,0,0]=3 2700 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,1|1,0,0]=3 2701 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,1|1,0,0]=3 2702 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,1|1,0,0]=3 2703 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,1|1,0,0]=3 2704 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,1|1,0,0]=3 2705 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,1|1,0,0]=3 2706 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,1|1,0,0]=3 2707 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,1|1,0,0]=3 2708 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,1|1,0,0]=3 2709 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,1|1,0,0]=3 2710 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,1|2,0,0]=4 2711 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,1|2,0,0]=4 2712 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,1|2,0,0]=4 2713 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,1|2,0,0]=4 2714 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,0,0,0,1|1,0,1]=4 2715 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,1|1,0,0]=3 2716 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,1|0,0,0]=2 2717 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,1|0,0,0]=2 2718 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,1|0,0,0]=2 2719 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,1|0,0,0]=2 2720 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,1|0,0,0]=2 2721 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,1|0,0,0]=2 2722 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,1|1,0,0]=3 2723 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,1|1,0,0]=3 2724 B9R0.1 CNC(=O)COCC(F)F 34a_100000743014_100000183359 [0,1,0,0,0,1|2,0,0]=4 2725 B9R0.1 CNC(=O)COCC(F)F 34a_100000750040_100011934356 [0,1,0,0,0,1|2,0,0]=4 2726 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,1|1,0,0]=3 2727 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,1|1,0,0]=3 2728 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,1|1,0,0]=3 2729 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,1|0,1,0]=3 2730 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,1|0,1,0]=3 2731 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,1|1,1,0]=4 2732 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,1|1,1,0]=4 2733 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,1|1,1,0]=4 2734 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,1|1,1,0]=4 2735 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,1,0,0,0,1|1,0,1]=4 2736 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,1,0,0,0,1|1,0,1]=4 2737 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,1,0,0,0,1|1,0,1]=4 2738 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,1,0,0,0,1|1,0,1]=4 2739 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,1,0,0,0,1|1,0,1]=4 2740 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,1,0,0,0,1|1,0,1]=4 2741 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,1|1,0,0]=3 2742 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,1|1,0,0]=3 2743 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,1|1,0,0]=3 2744 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,1|1,0,0]=3 2745 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,1|1,0,0]=3 2746 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,1|1,0,0]=3 2747 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,1|2,0,0]=4 2748 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,1|2,0,0]=4 2749 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,1|2,0,0]=4 2750 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,1|2,0,0]=4 2751 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,1|2,0,0]=4 2752 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,1|2,0,0]=4 2753 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,1|2,0,0]=4 2754 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,1|2,0,0]=4 2755 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,1,0,0,0,1|1,0,0]=3 2756 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,1,0,0,0,1|1,0,0]=3 2757 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,1,0,0,0,1|1,0,0]=3 2758 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,1,0,0,0,1|2,0,0]=4 2759 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,1,0,0,0,1|2,0,0]=4 2760 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,1|1,0,1]=4 2761 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,1|1,0,0]=3 2762 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,1|2,0,0]=4 2763 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,1,0,0,0,1|1,0,1]=4 2764 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,1|2,0,0]=4 2765 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,1|2,0,0]=4 2766 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,1|2,0,0]=4 2767 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,1|2,0,0]=4 2768 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,1|2,0,0]=4 2769 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,1|2,0,0]=4 2770 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,1|2,0,0]=4 2771 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,1|1,0,0]=3 2772 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,1|1,0,0]=3 2773 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,1|1,0,0]=3 2774 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,1|1,0,0]=3 2775 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,1|1,0,0]=3 2776 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,1|1,0,0]=3 2777 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,1|1,0,0]=3 2778 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,1|2,0,0]=4 2779 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,1|2,0,0]=4 2780 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,1|1,0,1]=4 2781 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,1|1,0,0]=3 2782 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,1|0,0,0]=2 2783 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,1|1,0,0]=3 2784 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,1,0,0,0,1|2,0,0]=4 2785 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,1|1,0,0]=3 2786 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,1|1,0,0]=3 2787 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,1|0,1,0]=3 2788 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,1|0,1,0]=3 2789 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,1|1,1,0]=4 2790 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,1|1,1,0]=4 2791 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,1|1,1,0]=4 2792 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,1|1,1,0]=4 2793 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,1|0,0,0]=2 2794 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,1|2,0,0]=4 2795 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,1|2,0,0]=4 2796 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,1|2,0,0]=4 2797 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,1|1,0,1]=4 2798 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,1,0,0,0,1|1,0,0]=3 2799 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,1,0,0,0,1|1,0,0]=3 2800 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,1|0,0,2]=4 2801 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,1,0,0,0,1|0,0,2]=4 2802 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,1,0,0,0,1|0,0,2]=4 2803 B9R0.1 COC(C)COC[N+](=O)[O-] 34a_100000690652_100000761209 [0,1,0,0,0,1|2,0,0]=4 2804 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,1,0,0,0,1|2,0,0]=4 2805 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,1,0,0,0,1|2,0,0]=4 2806 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,1,0,0,0,1|2,0,0]=4 2807 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,1|1,0,0]=3 2808 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,1|1,0,0]=3 2809 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,1,0,0,0,1|2,0,0]=4 2810 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,1,0,0,0,1|2,0,0]=4 2811 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,1|0,0,0]=2 2812 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,1|0,0,0]=2 2813 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [0,1,0,0,0,1|1,0,1]=4 2814 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [0,1,0,0,0,1|1,0,1]=4 2815 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,1,0,0,0,1|2,0,0]=4 2816 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,1|2,0,0]=4 2817 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,1|2,0,0]=4 2818 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [0,1,0,0,0,1|1,0,1]=4 2819 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [0,1,0,0,0,1|1,0,1]=4 2820 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,1,0,0,0,1|1,1,0]=4 2821 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,1,0,0,0,1|1,1,0]=4 2822 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,1,0,0,0,1|1,1,0]=4 2823 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,1,0,0,0,1|1,1,0]=4 2824 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,0,0,0,1|2,0,0]=4 2825 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,0,0,0,1|2,0,0]=4 2826 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,1,0,0,0,1|2,0,0]=4 2827 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,1,0,0,0,1|2,0,0]=4 2828 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,1,0,0,0,1|2,0,0]=4 2829 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,1,0,0,0,1|2,0,0]=4 2830 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,1,0,0,0,1|2,0,0]=4 2831 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,1,0,0,0,1|2,0,0]=4 2832 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,1|2,0,0]=4 2833 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,1,0,0,0,1|2,0,0]=4 2834 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,1,0,0,0,1|2,0,0]=4 2835 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,1,0,0,0,1|2,0,0]=4 2836 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,1|2,0,0]=4 2837 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,1|2,0,0]=4 2838 B9R0.7 C=C(C)CCN(C)C(C)C 269982a_200000211004_100000730704 [0,1,0,0,0,1|2,0,0]=4 2839 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [0,1,0,0,0,1|2,0,0]=4 2840 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,1,0,0,0,1|0,0,2]=4 2841 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [0,1,0,0,0,1|1,0,0]=3 2842 B9R0.7 C=C(F)COC(C)C(C)C 7a_100000748068_100000042424 [0,1,0,0,0,1|1,0,1]=4 2843 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,1|2,0,0]=4 2844 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,1|2,0,0]=4 2845 B9R0.7 CC(=CCN(C)C(C)C)C 269982a_200000211004_100000761012 [0,1,0,0,0,1|2,0,0]=4 2846 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,1|1,0,0]=3 2847 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,1|1,0,0]=3 2848 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,1|1,0,0]=3 2849 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,1|1,0,0]=3 2850 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,1|1,0,0]=3 2851 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,1|1,0,0]=3 2852 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,1|1,0,0]=3 2853 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,1|1,0,0]=3 2854 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,0,0,0,1|1,0,0]=3 2855 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,1|2,0,0]=4 2856 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,0,0,0,1|0,0,0]=2 2857 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,1|1,0,0]=3 2858 B9R0.7 CC(=O)C(C)OCC(F)F 34a_100000212229_100011934356 [0,1,0,0,0,1|2,0,0]=4 2859 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,1|1,0,0]=3 2860 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,0,0,0,1|0,1,0]=3 2861 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,0,0,0,1|0,1,0]=3 2862 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,1|1,1,0]=4 2863 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,1|1,1,0]=4 2864 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,1|1,1,0]=4 2865 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,1|1,1,0]=4 2866 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,1|2,0,0]=4 2867 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,1|1,0,0]=3 2868 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,1|1,0,0]=3 2869 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,1|1,0,1]=4 2870 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,1|0,0,1]=3 2871 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2872 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2873 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,1|1,0,0]=3 2874 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,1|1,0,0]=3 2875 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,1,0,0,0,1|2,0,0]=4 2876 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,1,0,0,0,1|2,0,0]=4 2877 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,1|1,0,0]=3 2878 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,1,0,0,0,1|2,0,0]=4 2879 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 2880 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 2881 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,1,0,0,0,1|2,0,0]=4 2882 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 2883 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,1,0,0,0,1|2,0,0]=4 2884 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 2885 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,1|1,0,0]=3 2886 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,1|1,0,0]=3 2887 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,1|1,0,0]=3 2888 B9R0.7 CC(=O)NN=C(C)C(C)C 4a_100000189765_100000211110 [0,1,0,0,0,1|1,0,1]=4 2889 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,1,0,0,0,1|1,0,1]=4 2890 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,1,0,0,0,1|1,0,1]=4 2891 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,1|0,0,0]=2 2892 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,1,0,0,0,1|1,0,0]=3 2893 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,1,0,0,0,1|1,0,0]=3 2894 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,1,0,0,0,1|1,0,0]=3 2895 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,1,0,0,0,1|1,0,0]=3 2896 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,1,0,0,0,1|0,0,0]=2 2897 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,1|0,1,0]=3 2898 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,1,0,0,0,1|1,1,0]=4 2899 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,1,0,0,0,1|1,1,0]=4 2900 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,1,0,0,0,1|1,1,0]=4 2901 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,1,0,0,0,1|2,0,0]=4 2902 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,1,0,0,0,1|2,0,0]=4 2903 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,1,0,0,0,1|2,0,0]=4 2904 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,1|2,0,0]=4 2905 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,1|2,0,0]=4 2906 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,1|1,0,1]=4 2907 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,1,0,0,0,1|2,0,0]=4 2908 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,1,0,0,0,1|1,0,0]=3 2909 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [0,1,0,0,0,1|0,0,2]=4 2910 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,1|2,0,0]=4 2911 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,1|1,0,0]=3 2912 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,1,0,0,0,1|2,0,0]=4 2913 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,1,0,0,0,1|2,0,0]=4 2914 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,1,0,0,0,1|2,0,0]=4 2915 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,1,0,0,0,1|2,0,0]=4 2916 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,1,0,0,0,1|2,0,0]=4 2917 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,1|2,0,0]=4 2918 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,1,0,0,0,1|2,0,0]=4 2919 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,1,0,0,0,1|2,0,0]=4 2920 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,1,0,0,0,1|2,0,0]=4 2921 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,1,0,0,0,1|1,0,0]=3 2922 B9R0.7 CC(C)COC(C)C(C)C 7a_100000748068_100000210760 [0,1,0,0,0,1|1,0,1]=4 2923 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,1,0,0,0,1|1,0,0]=3 2924 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,1,0,0,0,1|1,0,0]=3 2925 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,1,0,0,0,1|1,0,0]=3 2926 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,1,0,0,0,1|1,0,0]=3 2927 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,1,0,0,0,1|1,0,0]=3 2928 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,0,0,0,1|1,1,0]=4 2929 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,0,0,0,1|1,1,0]=4 2930 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,1,0,0,0,1|1,1,0]=4 2931 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,1,0,0,0,1|1,1,0]=4 2932 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,1,0,0,0,1|1,1,0]=4 2933 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,1,0,0,0,1|1,1,0]=4 2934 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,1,0,0,0,1|2,0,0]=4 2935 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,1,0,0,0,1|2,0,0]=4 2936 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,1,0,0,0,1|2,0,0]=4 2937 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,1,0,0,0,1|2,0,0]=4 2938 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,1|1,0,0]=3 2939 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,1,0,0,0,1|2,0,0]=4 2940 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,1,0,0,0,1|2,0,0]=4 2941 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,1|2,0,0]=4 2942 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,1|2,0,0]=4 2943 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,1,0,0,0,1|1,0,1]=4 2944 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,1,0,0,0,1|1,0,1]=4 2945 B9R0.7 CC(C)OCN(C)C(C)C 269982a_200000211004_100000709892 [0,1,0,0,0,1|1,0,1]=4 2946 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,1|2,0,0]=4 2947 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,1,0,0,0,1|1,0,1]=4 2948 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,1,0,0,0,1|2,0,0]=4 2949 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,1,0,0,0,1|2,0,0]=4 2950 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,1,0,0,0,1|2,0,0]=4 2951 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [0,1,0,0,0,1|0,0,2]=4 2952 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,1,0,0,0,1|2,0,0]=4 2953 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,1,0,0,0,1|2,0,0]=4 2954 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,1,0,0,0,1|2,0,0]=4 2955 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,1,0,0,0,1|2,0,0]=4 2956 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,1,0,0,0,1|2,0,0]=4 2957 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,1|2,0,0]=4 2958 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,1,0,0,0,1|2,0,0]=4 2959 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,1,0,0,0,1|2,0,0]=4 2960 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,1,0,0,0,1|2,0,0]=4 2961 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,1,0,0,0,1|2,0,0]=4 2962 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,1,0,0,0,1|2,0,0]=4 2963 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,1,0,0,0,1|2,0,0]=4 2964 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,1,0,0,0,1|2,0,0]=4 2965 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,1|2,0,0]=4 2966 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,1,0,0,0,1|2,0,0]=4 2967 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,1,0,0,0,1|2,0,0]=4 2968 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,1,0,0,0,1|2,0,0]=4 2969 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,1,0,0,0,1|2,0,0]=4 2970 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,1,0,0,0,1|2,0,0]=4 2971 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,1|2,0,0]=4 2972 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,1|2,0,0]=4 2973 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,1|2,0,0]=4 2974 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,1,0,0,0,1|2,0,0]=4 2975 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,1|1,0,1]=4 2976 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,1|1,0,1]=4 2977 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,0,0,0,1|2,0,0]=4 2978 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2979 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2980 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,1|1,0,0]=3 2981 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,1|1,0,0]=3 2982 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,1,0,0,0,1|2,0,0]=4 2983 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,1,0,0,0,1|2,0,0]=4 2984 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,1,0,0,0,1|2,0,0]=4 2985 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,1,0,0,0,1|0,0,0]=2 2986 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,1,0,0,0,1|0,0,0]=2 2987 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,1|2,0,0]=4 2988 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,1|2,0,0]=4 2989 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,1|2,0,0]=4 2990 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,0,0,0,1|1,0,1]=4 2991 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,0,0,0,1|1,0,1]=4 2992 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,0,0,0,1|1,0,1]=4 2993 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,1,0,0,0,1|2,0,0]=4 2994 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,1,0,0,0,1|2,0,0]=4 2995 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,1,0,0,0,1|2,0,0]=4 2996 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,1,0,0,0,1|2,0,0]=4 2997 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,1|2,0,0]=4 2998 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,1,0,0,0,1|2,0,0]=4 2999 B9R0.56 C=C(C)CCNC(C)(C)C 2230a_100000715429_100000730704 [0,1,0,0,0,1|2,0,0]=4 3000 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100000764851_100000210625 [0,1,0,0,0,1|2,0,0]=4 3001 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100015890283_100000730704 [0,1,0,0,0,1|2,0,0]=4 3002 B9R0.56 C=C(C)CCOC(C)(C)C 7a_100015890283_100000730704 [0,1,0,0,0,1|2,0,0]=4 3003 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000211941_100000730704 [0,1,0,0,0,1|2,0,0]=4 3004 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000730704_100000211941 [0,1,0,0,0,1|2,0,0]=4 3005 B9R0.56 C=C(C)CNCC(C)(C)C 2230a_100000743828_100000748629 [0,1,0,0,0,1|2,0,0]=4 3006 B9R0.56 C=C(C)CNCC(C)(C)F 2230a_100020643315_100000748629 [0,1,0,0,0,1|2,0,0]=4 3007 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [0,1,0,0,0,1|2,0,0]=4 3008 B9R0.56 C=C(C)COCC(C)(C)C 34a_100000210245_100011219605 [0,1,0,0,0,1|1,0,0]=3 3009 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000210245_100011997219 [0,1,0,0,0,1|1,0,0]=3 3010 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000716592_100000748629 [0,1,0,0,0,1|1,0,0]=3 3011 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [0,1,0,0,0,1|1,0,0]=3 3012 B9R0.56 C=C(C)COCC(C)(F)F 34a_100000068830_100000748629 [0,1,0,0,0,1|2,0,0]=4 3013 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100000748629_100011219605 [0,1,0,0,0,1|1,1,0]=4 3014 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100011219605_100000211660 [0,1,0,0,0,1|1,1,0]=4 3015 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100000748629_100011997219 [0,1,0,0,0,1|1,1,0]=4 3016 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100011997219_100000211660 [0,1,0,0,0,1|1,1,0]=4 3017 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [0,1,0,0,0,1|1,1,0]=4 3018 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [0,1,0,0,0,1|1,1,0]=4 3019 B9R0.56 C=C(F)COCC(C)(C)C 34a_200010262243_100011219605 [0,1,0,0,0,1|1,0,1]=4 3020 B9R0.56 C=C(F)COCC(C)(C)F 34a_100000716592_100009893438 [0,1,0,0,0,1|1,0,1]=4 3021 B9R0.56 C=C(F)COCC(C)(C)F 34a_200010262243_100011997219 [0,1,0,0,0,1|1,0,1]=4 3022 B9R0.56 C=C(F)COCC(C)(C)O 34a_200010262243_100000764493 [0,1,0,0,0,1|1,0,1]=4 3023 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [0,1,0,0,0,1|2,0,0]=4 3024 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [0,1,0,0,0,1|2,0,0]=4 3025 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [0,1,0,0,0,1|2,0,0]=4 3026 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [0,1,0,0,0,1|2,0,0]=4 3027 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [0,1,0,0,0,1|2,0,0]=4 3028 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [0,1,0,0,0,1|2,0,0]=4 3029 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [0,1,0,0,0,1|2,0,0]=4 3030 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,1,0,0,0,1|2,0,0]=4 3031 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,1,0,0,0,1|2,0,0]=4 3032 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,1,0,0,0,1|1,1,0]=4 3033 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,1,0,0,0,1|1,0,0]=3 3034 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,1,0,0,0,1|1,0,0]=3 3035 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,1,0,0,0,1|1,1,0]=4 3036 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,1,0,0,0,1|1,0,0]=3 3037 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,1,0,0,0,1|1,0,0]=3 3038 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,1,0,0,0,1|0,0,0]=2 3039 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [0,1,0,0,0,1|0,0,0]=2 3040 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,1,0,0,0,1|0,0,0]=2 3041 B9R0.56 CC(=O)COCC(F)(F)F 1458a_100000735257_200000210301 [0,1,0,0,0,1|2,0,0]=4 3042 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,1,0,0,0,1|1,0,0]=3 3043 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,1,0,0,0,1|1,0,0]=3 3044 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,1,0,0,0,1|1,0,0]=3 3045 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,1,0,0,0,1|1,0,0]=3 3046 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,1,0,0,0,1|1,0,0]=3 3047 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,1,0,0,0,1|1,0,0]=3 3048 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,1,0,0,0,1|1,0,0]=3 3049 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,1,0,0,0,1|1,0,0]=3 3050 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,1,0,0,0,1|1,0,0]=3 3051 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,1,0,0,0,1|1,0,0]=3 3052 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,1,0,0,0,1|2,0,0]=4 3053 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,1,0,0,0,1|2,0,0]=4 3054 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,1,0,0,0,1|2,0,0]=4 3055 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,1,0,0,0,1|0,0,0]=2 3056 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,1,0,0,0,1|0,0,0]=2 3057 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,1,0,0,0,1|0,0,0]=2 3058 B9R0.56 CC(=O)OCSC(F)(F)F 62a_100000076356_200103152311 [0,1,0,0,0,1|2,0,0]=4 3059 B9R0.56 CC(=O)OCSC(F)(F)F 62a_200000243211_100000076356 [0,1,0,0,0,1|2,0,0]=4 3060 B9R0.56 CC(Br)COCC(C)(C)C 34a_100012180447_100011219605 [0,1,0,0,0,1|1,0,1]=4 3061 B9R0.56 CC(Br)COCC(C)(C)F 34a_100012180447_100011997219 [0,1,0,0,0,1|1,0,1]=4 3062 B9R0.56 CC(Br)COCC(C)(C)O 34a_100012180447_100000764493 [0,1,0,0,0,1|1,0,1]=4 3063 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,1,0,0,0,1|2,0,0]=4 3064 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,1|2,0,0]=4 3065 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,1,0,0,0,1|1,1,0]=4 3066 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,1,0,0,0,1|1,1,0]=4 3067 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,1,0,0,0,1|1,1,0]=4 3068 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,1,0,0,0,1|1,1,0]=4 3069 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,1,0,0,0,1|2,0,0]=4 3070 B9R0.56 CC(C)(C)NOCC(=O)O 269956a_100000106656_100000211941 [0,1,0,0,0,1|2,0,0]=4 3071 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,1,0,0,0,1|2,0,0]=4 3072 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,1,0,0,0,1|2,0,0]=4 3073 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,1,0,0,0,1|2,0,0]=4 3074 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,1,0,0,0,1|2,0,0]=4 3075 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,1,0,0,0,1|2,0,0]=4 3076 B9R0.56 CC(C)(F)CNCC(=O)N 2230a_100020643315_100000747473 [0,1,0,0,0,1|2,0,0]=4 3077 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,1|2,0,0]=4 3078 B9R0.56 CC(C)(F)COCC(=O)N 34a_100000716592_100000187820 [0,1,0,0,0,1|1,0,0]=3 3079 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [0,1,0,0,0,1|1,0,0]=3 3080 B9R0.56 CC(C)(F)COC[N+](=O)[O-] 34a_100000716592_100000761209 [0,1,0,0,0,1|2,0,0]=4 3081 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100000747473_100011997219 [0,1,0,0,0,1|1,1,0]=4 3082 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100011997219_100000747473 [0,1,0,0,0,1|1,1,0]=4 3083 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [0,1,0,0,0,1|1,1,0]=4 3084 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [0,1,0,0,0,1|1,1,0]=4 3085 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,1,0,0,0,1|2,0,0]=4 3086 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,1|2,0,0]=4 3087 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,1,0,0,0,1|1,1,0]=4 3088 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,1,0,0,0,1|1,1,0]=4 3089 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,1,0,0,0,1|1,1,0]=4 3090 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,1,0,0,0,1|1,1,0]=4 3091 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [0,1,0,0,0,1|2,0,0]=4 3092 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [0,1,0,0,0,1|1,0,1]=4 3093 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [0,1,0,0,0,1|1,0,1]=4 3094 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [0,1,0,0,0,1|1,0,1]=4 3095 B9R0.56 CC(C)CNNS(=O)(=O)C 40a_100000696102_100000738038 [0,1,0,0,0,1|2,0,0]=4 3096 B9R0.56 CC(C)COCC(C)(C)C 34a_100000210257_100011219605 [0,1,0,0,0,1|1,0,1]=4 3097 B9R0.56 CC(C)COCC(C)(C)F 34a_100000210257_100011997219 [0,1,0,0,0,1|1,0,1]=4 3098 B9R0.56 CC(C)COCC(C)(C)F 34a_100000716592_100000210624 [0,1,0,0,0,1|1,0,1]=4 3099 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [0,1,0,0,0,1|0,0,2]=4 3100 B9R0.56 CC(C)COCC(C)(F)F 34a_100000068830_100000210624 [0,1,0,0,0,1|1,0,1]=4 3101 B9R0.56 CC(C)COCS(=O)(=O)[O-] 34a_100000210257_100009817235 [0,1,0,0,0,1|2,0,0]=4 3102 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100000740961_100000210206 [0,1,0,0,0,1|2,0,0]=4 3103 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100138425928_100000731031 [0,1,0,0,0,1|2,0,0]=4 3104 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100000740961_100000210206 [0,1,0,0,0,1|2,0,0]=4 3105 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100138425928_100000731031 [0,1,0,0,0,1|2,0,0]=4 3106 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [0,1,0,0,0,1|1,0,1]=4 3107 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [0,1,0,0,0,1|1,0,1]=4 3108 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,1,0,0,0,1|1,0,1]=4 3109 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000211924_100000210206 [0,1,0,0,0,1|2,0,0]=4 3110 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000212225_100000731031 [0,1,0,0,0,1|2,0,0]=4 3111 B9R0.56 CC(C)OCCS(=O)(=O)C 7a_100000211924_100000210206 [0,1,0,0,0,1|2,0,0]=4 3112 B9R0.56 CC(C)OCNC(C)(C)C 2230a_100000715429_100000709892 [0,1,0,0,0,1|1,0,1]=4 3113 B9R0.56 CC(C)OCOC(C)(C)C 34a_100015890283_100000709892 [0,1,0,0,0,1|1,0,1]=4 3114 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000211941_100000709892 [0,1,0,0,0,1|1,0,1]=4 3115 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000709892_100000211941 [0,1,0,0,0,1|1,0,1]=4 3116 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000210206_100000230027 [0,1,0,0,0,1|2,0,0]=4 3117 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000731031_100000210206 [0,1,0,0,0,1|2,0,0]=4 3118 B9R0.56 CC(F)(F)COCC(=O)N 34a_100000068830_100000187820 [0,1,0,0,0,1|2,0,0]=4 3119 B9R0.56 CC(F)(F)COCC(=O)[O-] 34a_100000068830_100020667443 [0,1,0,0,0,1|2,0,0]=4 3120 B9R0.56 CC(F)COCC(C)(C)C 34a_100015925927_100011219605 [0,1,0,0,0,1|1,0,1]=4 3121 B9R0.56 CC(F)COCC(C)(C)F 34a_100015925927_100011997219 [0,1,0,0,0,1|1,0,1]=4 3122 B9R0.56 CC(F)COCC(C)(C)O 34a_100015925927_100000764493 [0,1,0,0,0,1|1,0,1]=4 3123 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [0,1,0,0,0,1|0,0,2]=4 3124 B9R0.56 CN(C)CCOS(=O)(=O)C 2230a_100102631434_200000036756 [0,1,0,0,0,1|2,0,0]=4 3125 B9R0.56 CN(C)CCOS(=O)(=O)C 269982a_100102631434_200000036756 [0,1,0,0,0,1|2,0,0]=4 3126 B9R0.56 C[C@@H](Cl)COCC(C)(C)C 34a_100016084084_100011219605 [0,1,0,0,0,1|1,0,1]=4 3127 B9R0.56 C[C@@H](Cl)COCC(C)(C)F 34a_100016084084_100011997219 [0,1,0,0,0,1|1,0,1]=4 3128 B9R0.56 C[C@@H](Cl)COCC(C)(C)O 34a_100016084084_100000764493 [0,1,0,0,0,1|1,0,1]=4 3129 B9R0.56 C[C@@H](N)COCC(C)(C)C 34a_100000737577_100011219605 [0,1,0,0,0,1|1,0,1]=4 3130 B9R0.56 C[C@@H](N)COCC(C)(C)F 34a_100000737577_100011997219 [0,1,0,0,0,1|1,0,1]=4 3131 B9R0.56 C[C@@H](N)COCC(C)(C)O 34a_100000737577_100000764493 [0,1,0,0,0,1|1,0,1]=4 3132 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [0,1,0,0,0,1|0,0,2]=4 3133 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,1,0,0,0,1|2,0,0]=4 3134 B9R0.56 [13CH3]C(=O)COCC(F)(F)F 1458a_100000735257_200025704644 [0,1,0,0,0,1|2,0,0]=4 3135 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [0,2,0,0,0,0|1,0,1]=4 3136 B9R0.21 C#CC(C)OCC(C)(C)F 34a_100000716592_200000035995 [0,2,0,0,0,0|1,0,1]=4 3137 B9R0.21 C#C[C@@H](C)OCC(C)(C)C 34a_100009815206_100011219605 [0,2,0,0,0,0|1,0,1]=4 3138 B9R0.21 C#C[C@@H](C)OCC(C)(C)F 34a_100009815206_100011997219 [0,2,0,0,0,0|1,0,1]=4 3139 B9R0.21 C#C[C@@H](C)OCC(C)(C)O 34a_100009815206_100000764493 [0,2,0,0,0,0|1,0,1]=4 3140 B9R0.21 C#C[C@@H](C)OCC(C)(C)O 7a_100009815206_100000764493 [0,2,0,0,0,0|1,0,1]=4 3141 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,2,0,0,0,0|1,0,1]=4 3142 B9R0.21 C=CC(=O)NCC(C)(C)C 1626a_100000743828_100000185746 [0,2,0,0,0,0|1,0,1]=4 3143 B9R0.21 C=CC(=O)NCC(C)(C)C 240690a_100000743828_200121576911 [0,2,0,0,0,0|1,0,1]=4 3144 B9R0.21 C=CC(=O)NCC(C)(C)F 1626a_100020643315_100000185746 [0,2,0,0,0,0|1,0,1]=4 3145 B9R0.21 C=CC(=O)NCC(C)(C)F 240690a_100020643315_200121576911 [0,2,0,0,0,0|1,0,1]=4 3146 B9R0.21 C=CC(=O)NCC(C)(C)O 1626a_100000751335_100000185746 [0,2,0,0,0,0|1,0,1]=4 3147 B9R0.21 C=CC(=O)NCC(C)(C)O 240690a_100000751335_200121576911 [0,2,0,0,0,0|1,0,1]=4 3148 B9R0.21 C=CC(C)OCC(C)(C)C 34a_100000695699_100011219605 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.21 C=CC(C)OCC(C)(C)F 34a_100000695699_100011997219 [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.21 C=CC(C)OCC(C)(C)O 34a_100000695699_100000764493 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.21 CC(C#N)OCC(C)(C)C 34a_100011218135_100011219605 [0,2,0,0,0,0|1,0,1]=4 3152 B9R0.21 CC(C#N)OCC(C)(C)F 34a_100011218135_100011997219 [0,2,0,0,0,0|1,0,1]=4 3153 B9R0.21 CC(C#N)OCC(C)(C)O 34a_100011218135_100000764493 [0,2,0,0,0,0|1,0,1]=4 3154 B9R0.21 CC(C)(C)C#CC(=O)CF 1458a_100011966651_100015361967 [0,2,0,0,0,0|1,0,1]=4 3155 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [0,2,0,0,0,0|1,0,0]=3 3156 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|1,0,0]=3 3157 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [0,2,0,0,0,0|1,0,0]=3 3158 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [0,2,0,0,0,0|1,0,0]=3 3159 B9R0.21 CC(C)(C)NNC(=O)CO 22a_100000725372_100000210174 [0,2,0,0,0,0|2,0,0]=4 3160 B9R0.21 CC(C)(C)OCC(=O)CF 1458a_100000686494_100015361967 [0,2,0,0,0,0|2,0,0]=4 3161 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [0,2,0,0,0,0|1,0,0]=3 3162 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [0,2,0,0,0,0|1,0,0]=3 3163 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,2,0,0,0,0|1,0,0]=3 3164 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,2,0,0,0,0|1,0,0]=3 3165 B9R0.21 CC(CF)OCC(C)(C)C 34a_100016041109_100011219605 [0,2,0,0,0,0|1,0,1]=4 3166 B9R0.21 CC(CF)OCC(C)(C)F 34a_100016041109_100011997219 [0,2,0,0,0,0|1,0,1]=4 3167 B9R0.21 CC(CF)OCC(C)(C)O 34a_100016041109_100000764493 [0,2,0,0,0,0|1,0,1]=4 3168 B9R0.21 CC(CF)OCC(C)(C)O 7a_100016041109_100000764493 [0,2,0,0,0,0|1,0,1]=4 3169 B9R0.21 CC(CN)COC(C)(C)C 34a_100000744482_100000210625 [0,2,0,0,0,0|1,0,1]=4 3170 B9R0.21 CC(CN)OCC(C)(C)C 34a_100000210904_100011219605 [0,2,0,0,0,0|1,0,1]=4 3171 B9R0.21 CC(CN)OCC(C)(C)F 34a_100000210904_100011997219 [0,2,0,0,0,0|1,0,1]=4 3172 B9R0.21 CC(CN)OCC(C)(C)O 34a_100000210904_100000764493 [0,2,0,0,0,0|1,0,1]=4 3173 B9R0.21 CC(CO)CNS(=O)(=O)C 40a_100000744482_100000738038 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.21 CC(CO)OCC(C)(C)F 34a_100000716592_100012180447 [0,2,0,0,0,0|0,0,2]=4 3175 B9R0.21 CC(COC(C)(C)C)O[13CH3] 7a_100011215624_200025704644 [0,2,0,0,0,0|1,0,1]=4 3176 B9R0.21 CC(F)(F)CCC(=O)CF 1458a_100000030992_100015361967 [0,2,0,0,0,0|2,0,0]=4 3177 B9R0.21 CC(F)(F)CNC(=O)CO 240690a_100000731000_100000210174 [0,2,0,0,0,0|2,0,0]=4 3178 B9R0.21 CC(F)(F)CNC(=O)CO 527a_100000731000_100000210174 [0,2,0,0,0,0|2,0,0]=4 3179 B9R0.21 CCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210202 [0,2,0,0,0,0|1,0,1]=4 3180 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,2,0,0,0,0|1,0,0]=3 3181 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,2,0,0,0,0|1,0,0]=3 3182 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,2,0,0,0,0|1,1,0]=4 3185 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,2,0,0,0,0|1,1,0]=4 3186 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [0,2,0,0,0,0|2,0,0]=4 3191 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 3194 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [0,2,0,0,0,0|1,0,0]=3 3195 B9R0.21 CCC(=O)NCC(C)(C)F 11a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 3196 B9R0.21 CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.21 CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 3198 B9R0.21 CCC(=O)NCC(C)(C)F 527a_100020643315_100000210414 [0,2,0,0,0,0|1,0,0]=3 3199 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,2,0,0,0,0|1,0,0]=3 3200 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,2,0,0,0,0|1,0,0]=3 3201 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,2,0,0,0,0|1,0,0]=3 3202 B9R0.21 CCC(=O)NCC(C)(F)F 11a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 3203 B9R0.21 CCC(=O)NCC(C)(F)F 1626a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.21 CCC(=O)NCC(C)(F)F 240690a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.21 CCC(=O)NCC(C)(F)F 527a_100000731000_100000210414 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.21 CCC(=O)NC[Si](C)(C)C 11a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 3207 B9R0.21 CCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 3208 B9R0.21 CCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 3209 B9R0.21 CCC(=O)NC[Si](C)(C)C 527a_102516607284_100000210414 [0,2,0,0,0,0|1,1,0]=4 3210 B9R0.21 CCC(=O)NNC(C)(C)C 22a_100000725372_100000210414 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.21 CCC(C)CNS(=O)(=O)C 40a_100020588543_100000738038 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.21 CCC(C)COC(C)(C)C 34a_100015890283_100000748023 [0,2,0,0,0,0|1,0,1]=4 3213 B9R0.21 CCC(C)COC(C)(C)C 7a_100015890283_100000748023 [0,2,0,0,0,0|1,0,1]=4 3214 B9R0.21 CCC(C)OCC(C)(C)F 34a_100000716592_100011215416 [0,2,0,0,0,0|1,0,1]=4 3215 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [0,2,0,0,0,0|1,0,1]=4 3216 B9R0.21 CC[C@H](C)COC(C)(C)C 34a_100015890283_100009816398 [0,2,0,0,0,0|1,0,1]=4 3217 B9R0.21 CC[C@H](C)COC(C)(C)C 7a_100015890283_100009816398 [0,2,0,0,0,0|1,0,1]=4 3218 B9R0.21 CNC(=O)C#CC(C)(C)C 240690a_100102657272_100011966651 [0,2,0,0,0,0|1,0,1]=4 3219 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,2,0,0,0,0|1,0,0]=3 3220 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 3221 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 3222 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,2,0,0,0,0|1,0,0]=3 3223 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,2,0,0,0,0|2,0,0]=4 3224 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 3225 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 3226 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,2,0,0,0,0|2,0,0]=4 3227 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 3228 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 3229 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,2,0,0,0,0|1,1,0]=4 3230 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [0,2,0,0,0,0|1,0,0]=3 3241 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [0,2,0,0,0,0|1,0,0]=3 3242 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [0,2,0,0,0,0|1,0,0]=3 3243 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [0,2,0,0,0,0|1,0,0]=3 3244 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [0,2,0,0,0,0|1,0,0]=3 3246 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100020643315_106832991635 [0,2,0,0,0,0|1,0,0]=3 3247 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100102657272_100020643315 [0,2,0,0,0,0|1,0,0]=3 3248 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100020643315_100102657272 [0,2,0,0,0,0|1,0,0]=3 3249 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100102657272_100020643315 [0,2,0,0,0,0|1,0,0]=3 3250 B9R0.21 CNC(=O)NCC(C)(C)F 512a_100020643315_100102657272 [0,2,0,0,0,0|1,0,0]=3 3251 B9R0.21 CNC(=O)NCC(C)(C)F 512a_106832991638_100020643315 [0,2,0,0,0,0|1,0,0]=3 3252 B9R0.21 CNC(=O)NCC(C)(C)O 2708a_100102657272_100000751335 [0,2,0,0,0,0|1,0,0]=3 3253 B9R0.21 CNC(=O)NCC(C)(C)O 273464a_100102657272_100000751335 [0,2,0,0,0,0|1,0,0]=3 3254 B9R0.21 CNC(=O)NCC(C)(C)O 512a_100000751335_100102657272 [0,2,0,0,0,0|1,0,0]=3 3255 B9R0.21 CNC(=O)NCC(C)(C)O 512a_106832991638_100000751335 [0,2,0,0,0,0|1,0,0]=3 3256 B9R0.21 CNC(=O)NCC(C)(F)F 2708a_100102657272_100000731000 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100000731000_100102657272 [0,2,0,0,0,0|2,0,0]=4 3258 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100102657272_100000731000 [0,2,0,0,0,0|2,0,0]=4 3259 B9R0.21 CNC(=O)NCC(C)(F)F 512a_100000731000_100102657272 [0,2,0,0,0,0|2,0,0]=4 3260 B9R0.21 CNC(=O)NCC(C)(F)F 512a_106832991638_100000731000 [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.21 CNC(=O)NC[Si](C)(C)C 2708a_100102657272_102516607284 [0,2,0,0,0,0|1,1,0]=4 3262 B9R0.21 CNC(=O)NC[Si](C)(C)C 2708a_102516607284_106832991635 [0,2,0,0,0,0|1,1,0]=4 3263 B9R0.21 CNC(=O)NC[Si](C)(C)C 273464a_100102657272_102516607284 [0,2,0,0,0,0|1,1,0]=4 3264 B9R0.21 CNC(=O)NC[Si](C)(C)C 273464a_102516607284_100102657272 [0,2,0,0,0,0|1,1,0]=4 3265 B9R0.21 CNC(=O)NC[Si](C)(C)C 512a_102516607284_100102657272 [0,2,0,0,0,0|1,1,0]=4 3266 B9R0.21 CNC(=O)NC[Si](C)(C)C 512a_106832991638_102516607284 [0,2,0,0,0,0|1,1,0]=4 3267 B9R0.21 CNC(=O)NNC(C)(C)C 273464a_100102657272_100000725372 [0,2,0,0,0,0|2,0,0]=4 3268 B9R0.21 CNC(=O)NNC(C)(C)C 512a_100000725372_100102657272 [0,2,0,0,0,0|2,0,0]=4 3269 B9R0.21 CNC(=O)NNC(C)(C)C 512a_106832991638_100000725372 [0,2,0,0,0,0|2,0,0]=4 3270 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,2,0,0,0,0|2,0,0]=4 3271 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,2,0,0,0,0|2,0,0]=4 3272 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,2,0,0,0,0|2,0,0]=4 3273 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,2,0,0,0,0|2,0,0]=4 3274 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,2,0,0,0,0|2,0,0]=4 3275 B9R0.21 COC(C)COC(C)(C)C 34a_100000690652_100000210625 [0,2,0,0,0,0|1,0,1]=4 3276 B9R0.21 COC(C)COC(C)(C)C 7a_100011215624_200000210301 [0,2,0,0,0,0|1,0,1]=4 3277 B9R0.21 CO[C@H](C)CNS(=O)(=O)C 40a_100020591295_100000738038 [0,2,0,0,0,0|2,0,0]=4 3278 B9R0.21 C[C@@H](CO)COC(C)(C)C 34a_100015890283_100000059175 [0,2,0,0,0,0|1,0,1]=4 3279 B9R0.21 C[C@@H](CO)COC(C)(C)C 7a_100015890283_100000059175 [0,2,0,0,0,0|1,0,1]=4 3280 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,2,0,0,0,0|2,0,0]=4 3281 B9R0.21 C[Si](C)(C)CCC(=O)CF 1458a_100011215282_100015361967 [0,2,0,0,0,0|1,1,0]=4 3282 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,2,0,0,0,0|1,1,0]=4 3283 B9R0.21 C[Si](C)(C)CNC(=O)CO 240690a_102516607284_100000210174 [0,2,0,0,0,0|1,1,0]=4 3284 B9R0.21 C[Si](C)(C)CNC(=O)CO 527a_102516607284_100000210174 [0,2,0,0,0,0|1,1,0]=4 3285 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,2,0,0,0,0|1,0,1]=4 3286 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,2,0,0,0,0|2,0,0]=4 3287 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,2,0,0,0,0|1,0,1]=4 3288 B9R0.23 C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000185746 [0,2,0,0,0,0|1,0,1]=4 3289 B9R0.23 C=CC(=O)N(C)CC(C)C 240690a_100000747067_200121576911 [0,2,0,0,0,0|1,0,1]=4 3290 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,2,0,0,0,0|1,0,1]=4 3291 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,2,0,0,0,0|1,0,1]=4 3292 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|1,0,0]=3 3293 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,2,0,0,0,0|1,0,0]=3 3294 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,2,0,0,0,0|1,0,0]=3 3295 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,2,0,0,0,0|1,0,0]=3 3296 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [0,2,0,0,0,0|2,0,0]=4 3297 B9R0.23 CC(CN(C)C)C(=O)CF 1458a_200015186601_100015361967 [0,2,0,0,0,0|2,0,0]=4 3298 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 3299 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,2,0,0,0,0|2,0,0]=4 3300 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,2,0,0,0,0|1,0,0]=3 3302 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [0,2,0,0,0,0|2,0,0]=4 3303 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,2,0,0,0,0|2,0,0]=4 3304 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,2,0,0,0,0|1,0,1]=4 3305 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 3308 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 3309 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [0,2,0,0,0,0|1,0,0]=3 3311 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,2,0,0,0,0|2,0,0]=4 3312 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,2,0,0,0,0|2,0,0]=4 3313 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,2,0,0,0,0|1,0,0]=3 3314 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,2,0,0,0,0|1,0,1]=4 3315 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,2,0,0,0,0|1,0,1]=4 3316 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,2,0,0,0,0|2,0,0]=4 3317 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.23 CCN(C)C(C)OC(=O)C 269982a_100000225621_100009818208 [0,2,0,0,0,0|1,0,0]=3 3319 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|1,0,0]=3 3320 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,2,0,0,0,0|2,0,0]=4 3321 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 3322 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 3323 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 3330 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,2,0,0,0,0|2,0,0]=4 3331 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,2,0,0,0,0|2,0,0]=4 3332 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,2,0,0,0,0|2,0,0]=4 3333 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,2,0,0,0,0|2,0,0]=4 3334 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 3335 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [0,2,0,0,0,0|2,0,0]=4 3337 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [0,2,0,0,0,0|2,0,0]=4 3338 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [0,2,0,0,0,0|2,0,0]=4 3339 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [0,2,0,0,0,0|1,0,0]=3 3340 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [0,2,0,0,0,0|1,0,0]=3 3341 B9R0.23 CNC(=O)N(C)CC(C)O 2708a_100102657272_100000227577 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 3345 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,2,0,0,0,0|1,0,0]=3 3346 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,2,0,0,0,0|1,0,1]=4 3347 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,2,0,0,0,0|1,0,1]=4 3348 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,2,0,0,0,0|1,0,1]=4 3349 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,2,0,0,0,0|1,0,1]=4 3350 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 3351 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,2,0,0,0,0|2,0,0]=4 3361 B9R0.24 C#CC(C)OCC(C)CN 34a_100000744482_200000035995 [0,2,0,0,0,0|1,0,1]=4 3362 B9R0.24 C#CC(C)OCC(C)OC 34a_100000690652_200000035995 [0,2,0,0,0,0|1,0,1]=4 3363 B9R0.24 C#C[C@@H](C)OCC(C)CC 34a_100009815206_100000748023 [0,2,0,0,0,0|1,0,1]=4 3364 B9R0.24 C#C[C@@H](C)OCC(C)CC 7a_100009815206_100000748023 [0,2,0,0,0,0|1,0,1]=4 3365 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CC 34a_100009815206_100009816398 [0,2,0,0,0,0|1,0,1]=4 3366 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CC 7a_100009815206_100009816398 [0,2,0,0,0,0|1,0,1]=4 3367 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CO 34a_100009815206_100000059175 [0,2,0,0,0,0|1,0,1]=4 3368 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CO 7a_100009815206_100000059175 [0,2,0,0,0,0|1,0,1]=4 3369 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,2,0,0,0,0|1,0,1]=4 3370 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,2,0,0,0,0|1,0,1]=4 3371 B9R0.24 C=CC(=O)NCC(C)CO 240690a_100000744482_200121576911 [0,2,0,0,0,0|1,0,1]=4 3372 B9R0.24 C=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000185746 [0,2,0,0,0,0|1,0,1]=4 3373 B9R0.24 C=CC(=O)NC[C@@H](C)OC 240690a_100020591295_200121576911 [0,2,0,0,0,0|1,0,1]=4 3374 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [0,2,0,0,0,0|1,0,1]=4 3375 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [0,2,0,0,0,0|1,0,1]=4 3376 B9R0.24 C=CC(C)OC[C@@H](C)CO 34a_100000695699_100000059175 [0,2,0,0,0,0|1,0,1]=4 3377 B9R0.24 CC(C#N)OC[C@@H](C)CO 34a_100011218135_100000059175 [0,2,0,0,0,0|1,0,1]=4 3378 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [0,2,0,0,0,0|1,0,1]=4 3379 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [0,2,0,0,0,0|1,0,1]=4 3380 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [0,2,0,0,0,0|0,0,2]=4 3381 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|1,0,1]=4 3382 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|1,0,0]=3 3383 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|1,0,0]=3 3384 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,2,0,0,0,0|2,0,0]=4 3386 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,2,0,0,0,0|2,0,0]=4 3392 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|2,0,0]=4 3393 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,2,0,0,0,0|2,0,0]=4 3394 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|2,0,0]=4 3397 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 3398 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 3399 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 3400 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,2,0,0,0,0|1,0,0]=3 3401 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|1,0,0]=3 3402 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|1,0,0]=3 3403 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 3404 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 3405 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|2,0,0]=4 3406 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 3408 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 3409 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,2,0,0,0,0|1,0,0]=3 3410 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,2,0,0,0,0|1,0,0]=3 3416 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,2,0,0,0,0|1,0,0]=3 3417 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 3418 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 3419 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,2,0,0,0,0|1,0,0]=3 3420 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 3421 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|1,0,0]=3 3422 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,2,0,0,0,0|1,0,0]=3 3423 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 3424 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 3425 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,2,0,0,0,0|1,0,0]=3 3426 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,2,0,0,0,0|1,0,0]=3 3427 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.24 CCC(C)COC(C)C#N 34a_100011218135_100000748023 [0,2,0,0,0,0|1,0,1]=4 3429 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,2,0,0,0,0|1,0,1]=4 3430 B9R0.24 CCC(C)COC(C)CF 34a_100016041109_100000748023 [0,2,0,0,0,0|1,0,1]=4 3431 B9R0.24 CCC(C)COC(C)CF 7a_100016041109_100000748023 [0,2,0,0,0,0|1,0,1]=4 3432 B9R0.24 CCC(C)COC(C)CN 34a_100000210904_100000748023 [0,2,0,0,0,0|1,0,1]=4 3433 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|2,0,0]=4 3436 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,2,0,0,0,0|2,0,0]=4 3437 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,2,0,0,0,0|2,0,0]=4 3440 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.24 CCC(C)OCC(C)CN 34a_100000744482_100011215416 [0,2,0,0,0,0|1,0,1]=4 3444 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [0,2,0,0,0,0|1,0,1]=4 3445 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,2,0,0,0,0|1,0,1]=4 3446 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,2,0,0,0,0|1,0,1]=4 3447 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,2,0,0,0,0|1,0,1]=4 3448 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 3454 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 3455 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,2,0,0,0,0|2,0,0]=4 3458 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,2,0,0,0,0|2,0,0]=4 3459 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,2,0,0,0,0|2,0,0]=4 3461 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,2,0,0,0,0|2,0,0]=4 3462 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,2,0,0,0,0|2,0,0]=4 3463 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,2,0,0,0,0|2,0,0]=4 3464 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,2,0,0,0,0|2,0,0]=4 3466 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|2,0,0]=4 3470 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.24 CC[C@H](C)COC(C)C#N 34a_100011218135_100009816398 [0,2,0,0,0,0|1,0,1]=4 3474 B9R0.24 CC[C@H](C)COC(C)C#N 7a_100009816381_100000703298 [0,2,0,0,0,0|1,0,1]=4 3475 B9R0.24 CC[C@H](C)COC(C)CF 34a_100016041109_100009816398 [0,2,0,0,0,0|1,0,1]=4 3476 B9R0.24 CC[C@H](C)COC(C)CF 7a_100016041109_100009816398 [0,2,0,0,0,0|1,0,1]=4 3477 B9R0.24 CC[C@H](C)COC(C)CN 34a_100000210904_100009816398 [0,2,0,0,0,0|1,0,1]=4 3478 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,2,0,0,0,0|0,0,2]=4 3479 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,2,0,0,0,0|1,0,0]=3 3492 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,2,0,0,0,0|1,0,0]=3 3493 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,2,0,0,0,0|1,0,0]=3 3494 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,2,0,0,0,0|1,0,0]=3 3495 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,2,0,0,0,0|1,0,0]=3 3496 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,2,0,0,0,0|1,0,0]=3 3497 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,2,0,0,0,0|1,0,0]=3 3498 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,2,0,0,0,0|1,0,0]=3 3499 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,2,0,0,0,0|1,0,0]=3 3500 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,2,0,0,0,0|1,0,0]=3 3501 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,2,0,0,0,0|1,0,0]=3 3502 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 3503 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 3508 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|2,0,0]=4 3511 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|2,0,0]=4 3512 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|2,0,0]=4 3515 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|2,0,0]=4 3516 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|2,0,0]=4 3517 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|2,0,0]=4 3518 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.24 COC(C)COC(C)CO 34a_100000690652_100012180447 [0,2,0,0,0,0|0,0,2]=4 3521 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,2,0,0,0,0|1,0,0]=3 3522 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,2,0,0,0,0|1,0,0]=3 3523 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3525 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 3526 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|2,0,0]=4 3527 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,2,0,0,0,0|2,0,0]=4 3529 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.42 C=CC(=O)NC(C)C(C)C 1626a_100000211541_100000185746 [0,2,0,0,0,0|1,0,1]=4 3531 B9R0.42 C=CC(=O)NC(C)C(C)C 240690a_100000211541_200121576911 [0,2,0,0,0,0|1,0,1]=4 3532 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,2,0,0,0,0|2,0,0]=4 3533 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,2,0,0,0,0|2,0,0]=4 3536 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,2,0,0,0,0|2,0,0]=4 3537 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,2,0,0,0,0|2,0,0]=4 3538 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,2,0,0,0,0|2,0,0]=4 3539 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,2,0,0,0,0|2,0,0]=4 3540 B9R0.42 CC(C#N)OC(C)C(C)C 7a_100000748068_100000703298 [0,2,0,0,0,0|1,0,1]=4 3541 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,2,0,0,0,0|1,0,1]=4 3542 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,2,0,0,0,0|1,0,0]=3 3543 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,2,0,0,0,0|1,0,0]=3 3544 B9R0.42 CC(C)N(C)CC(=O)CF 1458a_100000743827_100015361967 [0,2,0,0,0,0|2,0,0]=4 3545 B9R0.42 CC(CC(=O)CF)N(C)C 1458a_100011311895_100015361967 [0,2,0,0,0,0|2,0,0]=4 3546 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,2,0,0,0,0|0,0,2]=4 3547 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|1,0,1]=4 3548 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|1,0,1]=4 3549 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 3553 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 3554 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 3555 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,2,0,0,0,0|1,0,0]=3 3556 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,2,0,0,0,0|1,0,0]=3 3557 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,2,0,0,0,0|1,0,0]=3 3558 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,2,0,0,0,0|1,0,0]=3 3559 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,2,0,0,0,0|1,0,0]=3 3560 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,2,0,0,0,0|1,0,1]=4 3566 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,2,0,0,0,0|2,0,0]=4 3570 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,2,0,0,0,0|2,0,0]=4 3571 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,2,0,0,0,0|1,0,1]=4 3572 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 3573 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [0,2,0,0,0,0|2,0,0]=4 3575 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.42 CNC(=O)CN(C)C(C)C 11a_106832991635_100000743827 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.42 CNC(=O)CN(C)C(C)C 1626a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.42 CNC(=O)CN(C)C(C)C 2230a_100000189611_100000210206 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.42 CNC(=O)CN(C)C(C)C 240690a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.42 CNC(=O)CN(C)C(C)C 269982a_200000211004_100000183359 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.42 CNC(=O)CN(C)C(C)C 527a_100102657272_100000743827 [0,2,0,0,0,0|2,0,0]=4 3584 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [0,2,0,0,0,0|1,0,0]=3 3585 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [0,2,0,0,0,0|1,0,0]=3 3586 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [0,2,0,0,0,0|1,0,0]=3 3587 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [0,2,0,0,0,0|1,0,0]=3 3588 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [0,2,0,0,0,0|1,0,0]=3 3589 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [0,2,0,0,0,0|1,0,0]=3 3590 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,2,0,0,0,0|1,0,1]=4 3591 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,2,0,0,0,0|1,0,1]=4 3592 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,2,0,0,0,0|2,0,0]=4 3593 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,2,0,0,0,0|2,0,0]=4 3594 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,2,0,0,0,0|2,0,0]=4 3595 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,2,0,0,0,0|2,0,0]=4 3596 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,2,0,0,0,0|2,0,0]=4 3598 B9R0.43 C#CC(CC)OCC(C)C 34a_100000758843_100000210624 [0,2,0,0,0,0|1,0,1]=4 3599 B9R0.43 C#CC(CC)OCC(C)C 7a_100000758843_100000210760 [0,2,0,0,0,0|1,0,1]=4 3600 B9R0.43 C=CC(CC)OCC(C)C 34a_100000766422_100000210624 [0,2,0,0,0,0|1,0,1]=4 3601 B9R0.43 C=CC(CC)OCC(C)C 7a_100000766422_100000210760 [0,2,0,0,0,0|1,0,1]=4 3602 B9R0.43 CC(=O)OCC(CCl)O[13CH3] 7a_200000139349_200025704644 [0,2,0,0,0,0|0,0,0]=2 3603 B9R0.43 CC(C)COC(C=O)C=O 34a_100000210257_100000736813 [0,2,0,0,0,0|0,0,2]=4 3604 B9R0.43 CC(C)COC(CCl)CCl 7a_100000737055_100000210760 [0,2,0,0,0,0|1,0,1]=4 3605 B9R0.43 CC(C)COC(CF)CF 34a_100000032261_100000210624 [0,2,0,0,0,0|1,0,1]=4 3606 B9R0.43 CC(C)COC(CF)CF 7a_100000032261_100000210760 [0,2,0,0,0,0|1,0,1]=4 3607 B9R0.43 CC(C)COC(CN)CN 34a_100000031598_100000210624 [0,2,0,0,0,0|1,0,1]=4 3608 B9R0.43 CC(C)CO[C@@H](CF)CCl 34a_100015614560_100000210624 [0,2,0,0,0,0|1,0,1]=4 3609 B9R0.43 CC(C)CO[C@@H](CF)CCl 7a_100015614560_100000210760 [0,2,0,0,0,0|1,0,1]=4 3610 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,2,0,0,0,0|1,0,0]=3 3611 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,2,0,0,0,0|1,0,0]=3 3612 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,2,0,0,0,0|1,0,0]=3 3613 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,2,0,0,0,0|1,0,0]=3 3614 B9R0.43 CCC(CC)COC(C)C 34a_100000212225_100011215472 [0,2,0,0,0,0|1,0,1]=4 3615 B9R0.43 CCC(CC)COC(C)C 7a_100000703878_100000210206 [0,2,0,0,0,0|1,0,1]=4 3616 B9R0.43 CCC(CC)NNC(=O)C 22a_100000756293_100000070787 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.43 CCC(CC)OCC(C)C 7a_100000688536_100000210760 [0,2,0,0,0,0|1,0,1]=4 3620 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,2,0,0,0,0|1,0,0]=3 3621 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,2,0,0,0,0|1,0,0]=3 3622 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,2,0,0,0,0|1,0,0]=3 3623 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,2,0,0,0,0|1,0,0]=3 3624 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [0,2,0,0,0,0|1,0,1]=4 3625 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [0,2,0,0,0,0|1,0,1]=4 3626 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [0,2,0,0,0,0|1,0,0]=3 3632 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [0,2,0,0,0,0|1,0,0]=3 3633 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,2,0,0,0,0|1,0,0]=3 3634 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,2,0,0,0,0|1,0,0]=3 3635 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,2,0,0,0,0|1,0,0]=3 3636 B9R0.43 COC(CCl)COC(=O)C 7a_200000139349_200000210301 [0,2,0,0,0,0|0,0,0]=2 3637 B9R0.43 COC(CNC(=O)C)OC 11a_100000210479_100015343762 [0,2,0,0,0,0|1,0,0]=3 3638 B9R0.43 COC(CNC(=O)C)OC 1626a_100000210479_100015343762 [0,2,0,0,0,0|1,0,0]=3 3639 B9R0.43 COC(CNC(=O)C)OC 240690a_100000210479_100015343762 [0,2,0,0,0,0|1,0,0]=3 3640 B9R0.43 COC(CNC(=O)C)OC 527a_100000210479_100103153847 [0,2,0,0,0,0|1,0,0]=3 3641 B9R0.43 COC(COC(C)C)OC 34a_100000212225_100000211822 [0,2,0,0,0,0|1,0,1]=4 3642 B9R0.43 COC(COC(C)C)OC 34a_100011216393_100000210206 [0,2,0,0,0,0|1,0,1]=4 3643 B9R0.48 C#CCC(=O)C=CC(C)C 1458a_100016268746_100000184674 [0,2,0,0,0,0|1,0,1]=4 3644 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,2,0,0,0,0|1,0,0]=3 3645 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,2,0,0,0,0|1,0,0]=3 3646 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.48 C#CCC(=O)CC[S+](C)C 1458a_100009452791_100000184674 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,2,0,0,0,0|1,0,1]=4 3649 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.48 C#CCC(=O)CSC(C)C 1458a_100000241585_100000184674 [0,2,0,0,0,0|2,0,0]=4 3651 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [0,2,0,0,0,0|1,0,0]=3 3652 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [0,2,0,0,0,0|1,0,0]=3 3653 B9R0.48 C#CCC(=O)NCC(C)O 527a_100000210904_100011220946 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.48 C#CCC(C)OCC(C)C 34a_100000685586_100000210624 [0,2,0,0,0,0|1,0,1]=4 3655 B9R0.48 C#CCC(C)OCC(C)C 7a_100000685586_100000210760 [0,2,0,0,0,0|1,0,1]=4 3656 B9R0.48 C#CCN(C)COC(=O)C 34a_100000225692_100009813279 [0,2,0,0,0,0|1,0,0]=3 3657 B9R0.48 C/C=C/C(C)OCC(C)C 34a_200102604097_100000210624 [0,2,0,0,0,0|1,0,1]=4 3658 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,2,0,0,0,0|2,0,0]=4 3659 B9R0.48 C=CCC(=O)C=CC(C)C 1458a_100016268746_100000210623 [0,2,0,0,0,0|1,0,1]=4 3660 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,2,0,0,0,0|1,0,0]=3 3661 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,2,0,0,0,0|1,0,0]=3 3662 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [0,2,0,0,0,0|2,0,0]=4 3664 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,2,0,0,0,0|1,0,1]=4 3665 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,2,0,0,0,0|2,0,0]=4 3666 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,2,0,0,0,0|1,0,0]=3 3668 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,2,0,0,0,0|1,0,0]=3 3669 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,2,0,0,0,0|1,0,0]=3 3670 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,2,0,0,0,0|1,0,0]=3 3671 B9R0.48 C=CCC(=O)NCC(C)O 11a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 3672 B9R0.48 C=CCC(=O)NCC(C)O 240690a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 3673 B9R0.48 C=CCC(=O)NCC(C)O 527a_100000210904_100000210193 [0,2,0,0,0,0|2,0,0]=4 3674 B9R0.48 C=CCC(=O)NNC(C)C 22a_100000741168_100000210193 [0,2,0,0,0,0|2,0,0]=4 3675 B9R0.48 C=CCC(C)COC(C)C 34a_100009832082_100000210206 [0,2,0,0,0,0|1,0,1]=4 3676 B9R0.48 C=CCC(C)COC(C)C 7a_100009832082_100000210206 [0,2,0,0,0,0|1,0,1]=4 3677 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.48 C=CCN(C)COC(=O)C 269982a_100000225617_100000076356 [0,2,0,0,0,0|1,0,0]=3 3679 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [0,2,0,0,0,0|1,0,1]=4 3680 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [0,2,0,0,0,0|1,0,1]=4 3681 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,2,0,0,0,0|1,0,0]=3 3682 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|2,0,0]=4 3683 B9R0.48 CC#CC(=O)NNC(C)C 22a_100000741168_100000763181 [0,2,0,0,0,0|2,0,0]=4 3684 B9R0.48 CC#CC(C)OCC(C)C 34a_100011216543_100000210624 [0,2,0,0,0,0|1,0,1]=4 3685 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,2,0,0,0,0|2,0,0]=4 3686 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,2,0,0,0,0|2,0,0]=4 3687 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,2,0,0,0,0|1,0,1]=4 3688 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,2,0,0,0,0|1,0,1]=4 3689 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|1,0,1]=4 3690 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,2,0,0,0,0|1,0,1]=4 3691 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,2,0,0,0,0|1,0,1]=4 3692 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,2,0,0,0,0|1,0,0]=3 3693 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,2,0,0,0,0|1,0,0]=3 3694 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,2,0,0,0,0|1,0,0]=3 3695 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,2,0,0,0,0|0,1,0]=3 3696 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,2,0,0,0,0|0,1,0]=3 3697 B9R0.48 CC(C)C=CC(=O)CC#N 1458a_100016268746_100011214920 [0,2,0,0,0,0|1,0,1]=4 3698 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|1,0,1]=4 3699 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|1,0,1]=4 3700 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,2,0,0,0,0|1,0,1]=4 3701 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,2,0,0,0,0|1,0,1]=4 3702 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,2,0,0,0,0|1,0,1]=4 3703 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,2,0,0,0,0|1,0,0]=3 3704 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,2,0,0,0,0|1,0,0]=3 3705 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,2,0,0,0,0|1,0,0]=3 3706 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|1,0,0]=3 3707 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|1,0,0]=3 3708 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,2,0,0,0,0|2,0,0]=4 3709 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,2,0,0,0,0|2,0,0]=4 3710 B9R0.48 CC(C)CNC(=O)C=CBr 1626a_100000210953_100016273825 [0,2,0,0,0,0|1,0,1]=4 3711 B9R0.48 CC(C)CNC(=O)C=CBr 240690a_100000210953_100016273825 [0,2,0,0,0,0|1,0,1]=4 3712 B9R0.48 CC(C)CNC(=O)C=CCl 11a_100000210953_200016279998 [0,2,0,0,0,0|1,0,1]=4 3713 B9R0.48 CC(C)CNC(=O)C=CCl 1626a_100000210953_200016279998 [0,2,0,0,0,0|1,0,1]=4 3714 B9R0.48 CC(C)CNC(=O)C=CCl 240690a_100000210953_200016279998 [0,2,0,0,0,0|1,0,1]=4 3715 B9R0.48 CC(C)CNC(=O)C=CI 1626a_100000210953_100016256311 [0,2,0,0,0,0|1,0,1]=4 3716 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [0,2,0,0,0,0|1,0,0]=3 3717 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [0,2,0,0,0,0|1,0,0]=3 3718 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,2,0,0,0,0|1,0,0]=3 3719 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,2,0,0,0,0|1,0,0]=3 3720 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,2,0,0,0,0|1,0,0]=3 3721 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,2,0,0,0,0|1,0,1]=4 3722 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,2,0,0,0,0|0,0,2]=4 3723 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,2,0,0,0,0|2,0,0]=4 3725 B9R0.48 CC(C)NNC(=O)CC#N 22a_100000741168_100051588842 [0,2,0,0,0,0|2,0,0]=4 3726 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,2,0,0,0,0|2,0,0]=4 3727 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,2,0,0,0,0|2,0,0]=4 3728 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,2,0,0,0,0|2,0,0]=4 3729 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|2,0,0]=4 3731 B9R0.48 CC(C)SCC(=O)CC#N 1458a_100000241585_100011214920 [0,2,0,0,0,0|2,0,0]=4 3732 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,2,0,0,0,0|2,0,0]=4 3733 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|2,0,0]=4 3734 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|2,0,0]=4 3735 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|2,0,0]=4 3736 B9R0.48 CC(CCN)COC(C)C 34a_106354213184_100000210206 [0,2,0,0,0,0|1,0,1]=4 3737 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,2,0,0,0,0|2,0,0]=4 3738 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|2,0,0]=4 3739 B9R0.48 CC(O)CNC(=O)CC#N 240690a_100000210904_100051588842 [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|1,0,0]=3 3742 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|2,0,0]=4 3743 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,2,0,0,0,0|1,0,0]=3 3744 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,2,0,0,0,0|1,0,0]=3 3745 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,2,0,0,0,0|1,0,0]=3 3746 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,2,0,0,0,0|2,0,0]=4 3747 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,2,0,0,0,0|2,0,0]=4 3748 B9R0.48 CC=CC(=O)NNC(C)C 22a_100000741168_100000210699 [0,2,0,0,0,0|2,0,0]=4 3749 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|1,0,1]=4 3750 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|1,0,0]=3 3751 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|1,0,0]=3 3752 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|2,0,0]=4 3753 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|1,0,1]=4 3756 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,2,0,0,0,0|2,0,0]=4 3759 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,2,0,0,0,0|2,0,0]=4 3760 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 3761 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 3762 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 3763 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|1,0,0]=3 3764 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3765 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|1,0,1]=4 3769 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,2,0,0,0,0|1,0,0]=3 3770 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,2,0,0,0,0|1,0,0]=3 3771 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,2,0,0,0,0|1,0,1]=4 3772 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,2,0,0,0,0|1,0,1]=4 3773 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,2,0,0,0,0|1,0,1]=4 3774 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,2,0,0,0,0|2,0,0]=4 3775 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,2,0,0,0,0|1,0,1]=4 3776 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,2,0,0,0,0|1,0,1]=4 3777 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,2,0,0,0,0|1,0,1]=4 3778 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,2,0,0,0,0|2,0,0]=4 3779 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,2,0,0,0,0|1,0,0]=3 3780 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,2,0,0,0,0|1,0,1]=4 3781 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,2,0,0,0,0|1,0,1]=4 3782 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 3783 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 3784 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|1,0,0]=3 3785 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3786 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 3787 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3788 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 3789 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|2,0,0]=4 3792 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,2,0,0,0,0|2,0,0]=4 3793 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 3794 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 3795 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 3796 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,2,0,0,0,0|1,0,1]=4 3797 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3798 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3799 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|2,0,0]=4 3800 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 3801 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3802 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3803 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,2,0,0,0,0|2,0,0]=4 3804 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,2,0,0,0,0|2,0,0]=4 3805 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,2,0,0,0,0|2,0,0]=4 3806 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 3807 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 3808 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 3809 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 3810 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,2,0,0,0,0|1,0,0]=3 3811 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,2,0,0,0,0|1,0,0]=3 3812 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3813 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 3814 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3815 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 3816 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3817 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,2,0,0,0,0|2,0,0]=4 3818 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,2,0,0,0,0|2,0,0]=4 3819 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,2,0,0,0,0|2,0,0]=4 3820 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,2,0,0,0,0|0,0,0]=2 3821 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|2,0,0]=4 3822 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|2,0,0]=4 3823 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|2,0,0]=4 3828 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|2,0,0]=4 3831 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,2,0,0,0,0|1,0,1]=4 3833 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,2,0,0,0,0|1,0,0]=3 3834 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,2,0,0,0,0|1,0,0]=3 3835 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,2,0,0,0,0|1,0,0]=3 3836 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,2,0,0,0,0|0,1,0]=3 3837 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,2,0,0,0,0|0,1,0]=3 3838 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,2,0,0,0,0|0,1,0]=3 3839 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,2,0,0,0,0|1,0,0]=3 3840 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,2,0,0,0,0|1,0,0]=3 3841 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [0,2,0,0,0,0|1,0,1]=4 3842 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,2,0,0,0,0|1,0,0]=3 3843 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,2,0,0,0,0|2,0,0]=4 3844 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,2,0,0,0,0|2,0,0]=4 3845 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,2,0,0,0,0|1,0,1]=4 3846 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,2,0,0,0,0|2,0,0]=4 3847 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,2,0,0,0,0|2,0,0]=4 3848 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,2,0,0,0,0|1,0,0]=3 3849 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,2,0,0,0,0|1,0,0]=3 3850 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,2,0,0,0,0|1,0,0]=3 3851 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 3852 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,2,0,0,0,0|2,0,0]=4 3853 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.48 CNNC(=O)NNC(C)C 512a_100000741168_100016993582 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.48 CNNC(=O)NNC(C)C 512a_100016993582_100000741168 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|1,0,0]=3 3857 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|1,0,1]=4 3859 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3860 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3861 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3862 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|1,0,0]=3 3863 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|1,0,0]=3 3864 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 3865 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 3866 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,2,0,0,0,0|2,0,0]=4 3868 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,2,0,0,0,0|0,1,0]=3 3869 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,2,0,0,0,0|2,0,0]=4 3870 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,2,0,0,0,0|0,0,2]=4 3871 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,2,0,0,0,0|2,0,0]=4 3872 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,2,0,0,0,0|1,0,0]=3 3874 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,2,0,0,0,0|0,0,2]=4 3875 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,2,0,0,0,0|1,0,0]=3 3876 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,2,0,0,0,0|1,0,1]=4 3878 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,2,0,0,0,0|1,0,1]=4 3879 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 3880 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 3881 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 3882 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 3883 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,2,0,0,0,0|1,0,0]=3 3884 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,2,0,0,0,0|1,0,0]=3 3885 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,2,0,0,0,0|0,1,0]=3 3890 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,2,0,0,0,0|0,1,0]=3 3891 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,2,0,0,0,0|1,0,0]=3 3892 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,2,0,0,0,0|1,0,0]=3 3893 B9R0.48 C[S+](C)CCC(=O)CC#N 1458a_100009452791_100011214920 [0,2,0,0,0,0|2,0,0]=4 3894 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,2,0,0,0,0|2,0,0]=4 3895 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|2,0,0]=4 3896 B9R0.64 C#CC(C)(C)OCC(=O)C 34a_100000211253_100000038118 [0,2,0,0,0,0|2,0,0]=4 3897 B9R0.64 C#CC(C)(C)OCC(C)C 34a_100000189450_100000210624 [0,2,0,0,0,0|1,0,1]=4 3898 B9R0.64 C#CC(C)(C)OCC(C)C 34a_100000210257_100000038118 [0,2,0,0,0,0|1,0,1]=4 3899 B9R0.64 C#CC(C)(C)OCC(C)C 7a_100000189450_100000210760 [0,2,0,0,0,0|1,0,1]=4 3900 B9R0.64 C=CC(C)(C)OCC(C)C 34a_100011215311_100000210624 [0,2,0,0,0,0|1,0,1]=4 3901 B9R0.64 C=CC(C)(C)OCC(C)C 7a_100011215311_100000210760 [0,2,0,0,0,0|1,0,1]=4 3902 B9R0.64 CC(=O)COC(C)(C)C#N 34a_100000211253_100011162410 [0,2,0,0,0,0|2,0,0]=4 3903 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,2,0,0,0,0|1,0,0]=3 3904 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,2,0,0,0,0|1,0,0]=3 3905 B9R0.64 CC(=O)NCC(F)(F)CO 240690a_100000703232_100015343762 [0,2,0,0,0,0|2,0,0]=4 3906 B9R0.64 CC(=O)NCC(F)(F)CO 527a_100000703232_100103153847 [0,2,0,0,0,0|2,0,0]=4 3907 B9R0.64 CC(C)CNS(=O)(=O)CCl 270084a_100000210953_100000031410 [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.64 CC(C)CNS(=O)(=O)CCl 274078a_100000210953_100000031410 [0,2,0,0,0,0|2,0,0]=4 3909 B9R0.64 CC(C)COC(C)(C)C#N 34a_100000210257_100011162410 [0,2,0,0,0,0|1,0,1]=4 3910 B9R0.64 CC(C)COC(C)(C)C#N 34a_200015195151_100000210624 [0,2,0,0,0,0|1,0,1]=4 3911 B9R0.64 CC(C)COC(C)(C)CCl 7a_100000764493_100000210760 [0,2,0,0,0,0|1,0,1]=4 3912 B9R0.64 CC(C)OCC(C)(C)CCl 7a_100011217199_100000210206 [0,2,0,0,0,0|1,0,1]=4 3913 B9R0.64 CC(C)OCC(C)(C)CO 34a_100000212225_100009813988 [0,2,0,0,0,0|1,0,1]=4 3914 B9R0.64 CCC(C)(C)COC(C)C 7a_100000765029_100000210206 [0,2,0,0,0,0|1,0,1]=4 3915 B9R0.64 CCC(C)(C)OCC(C)C 7a_100000210230_100000210760 [0,2,0,0,0,0|1,0,1]=4 3916 B9R0.64 CCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211323 [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.64 CCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211323 [0,2,0,0,0,0|2,0,0]=4 3918 B9R0.64 CCS(=O)(=O)NCC(C)C 40a_100000210953_100000053943 [0,2,0,0,0,0|2,0,0]=4 3919 B9R0.64 CNS(=O)(=O)CCC(C)C 270084a_100102657272_100000750698 [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.64 CNS(=O)(=O)CCC(C)C 274078a_100102657272_100000750698 [0,2,0,0,0,0|2,0,0]=4 3921 B9R0.64 COC(C)(C)CNC(=O)C 11a_100000763424_100015343762 [0,2,0,0,0,0|1,0,0]=3 3922 B9R0.64 COC(C)(C)CNC(=O)C 1626a_100000763424_100015343762 [0,2,0,0,0,0|1,0,0]=3 3923 B9R0.64 COC(C)(C)CNC(=O)C 240690a_100000763424_100015343762 [0,2,0,0,0,0|1,0,0]=3 3924 B9R0.64 COC(C)(C)CNC(=O)C 527a_100000763424_100103153847 [0,2,0,0,0,0|1,0,0]=3 3925 B9R0.64 COC(C)(C)COC(C)C 34a_100000212225_100000701081 [0,2,0,0,0,0|1,0,1]=4 3926 B9R0.10 CC(=CC(=O)[13CH3])C(C)(C)C 1458a_100020591210_200025704644 [0,2,0,0,0,0|1,0,1]=4 3927 B9R0.10 CC(=O)C=C(C)C(C)(C)C 1458a_100020591210_200000210301 [0,2,0,0,0,0|1,0,1]=4 3928 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,2,0,0,0,0|1,0,1]=4 3929 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,2,0,0,0,0|1,0,0]=3 3930 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,2,0,0,0,0|1,0,0]=3 3931 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,2,0,0,0,0|1,0,0]=3 3932 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,2,0,0,0,0|1,0,0]=3 3933 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,2,0,0,0,0|1,0,0]=3 3934 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,2,0,0,0,0|1,0,0]=3 3935 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,2,0,0,0,0|1,0,0]=3 3936 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,2,0,0,0,0|1,0,0]=3 3937 B9R0.10 CC(C)CN(C)S(=O)(=O)C 40a_100000747067_100000738038 [0,2,0,0,0,0|2,0,0]=4 3938 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [0,2,0,0,0,0|2,0,0]=4 3942 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,2,0,0,0,0|1,0,0]=3 3943 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [0,2,0,0,0,0|1,0,0]=3 3944 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [0,2,0,0,0,0|1,0,0]=3 3945 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [0,2,0,0,0,0|1,0,0]=3 3946 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [0,2,0,0,0,0|1,0,0]=3 3947 B9R0.11 CC(=O)NS(=O)(=O)C(C)C 2740a_100000746418_100015343762 [0,2,0,0,0,0|2,0,0]=4 3948 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [0,2,0,0,0,0|1,0,1]=4 3949 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [0,2,0,0,0,0|1,0,1]=4 3950 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,2,0,0,0,0|1,0,0]=3 3951 B9R0.11 CC(C)OC(C)(C)C(C)C 7a_100011215261_100000210206 [0,2,0,0,0,0|1,0,1]=4 3952 B9R0.39 C#CC(OC(C)C)C(C)C 34a_100011217124_100000210206 [0,2,0,0,0,0|1,0,1]=4 3953 B9R0.39 C#CC(OC(C)C)C(C)C 7a_100011217124_100000210206 [0,2,0,0,0,0|1,0,1]=4 3954 B9R0.39 C=CC(OC(C)C)C(C)C 34a_100000732651_100000210206 [0,2,0,0,0,0|1,0,1]=4 3955 B9R0.39 C=CC(OC(C)C)C(C)C 7a_100000732651_100000210206 [0,2,0,0,0,0|1,0,1]=4 3956 B9R0.39 CC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_200000210301 [0,2,0,0,0,0|1,0,1]=4 3957 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,2,0,0,0,0|1,0,0]=3 3958 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,2,0,0,0,0|1,0,0]=3 3959 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100015343762 [0,2,0,0,0,0|2,0,0]=4 3960 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100103153847 [0,2,0,0,0,0|2,0,0]=4 3961 B9R0.39 CC(C)/C=C(\C#N)/C(=O)[13CH3] 1458a_200042966509_200025704644 [0,2,0,0,0,0|1,0,1]=4 3962 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,2,0,0,0,0|2,0,0]=4 3963 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,2,0,0,0,0|2,0,0]=4 3964 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,2,0,0,0,0|2,0,0]=4 3965 B9R0.39 CC(C)OC(C#N)C(C)C 34a_100000748901_100000210206 [0,2,0,0,0,0|1,0,1]=4 3966 B9R0.39 CC(C)OC(C#N)C(C)C 7a_100000748901_100000210206 [0,2,0,0,0,0|1,0,1]=4 3967 B9R0.39 CC(C)OC(CN)C(C)C 34a_100000759067_100000210206 [0,2,0,0,0,0|1,0,1]=4 3968 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,2,0,0,0,0|1,0,0]=3 3969 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,2,0,0,0,0|1,0,0]=3 3970 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,2,0,0,0,0|1,0,0]=3 3971 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,2,0,0,0,0|1,0,0]=3 3972 B9R0.39 CCC(OC(C)C)C(C)C 34a_100011218073_100000210206 [0,2,0,0,0,0|1,0,1]=4 3973 B9R0.39 CCC(OC(C)C)C(C)C 7a_100011218073_100000210206 [0,2,0,0,0,0|1,0,1]=4 3974 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,2,0,0,0,0|1,0,0]=3 3975 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,2,0,0,0,0|1,0,0]=3 3976 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,2,0,0,0,0|1,0,0]=3 3977 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [0,2,0,0,0,0|2,0,0]=4 3979 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [0,2,0,0,0,0|2,0,0]=4 3980 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,2,0,0,0,0|2,0,0]=4 3983 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,2,0,0,0,0|2,0,0]=4 3984 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,2,0,0,0,0|2,0,0]=4 3985 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,2,0,0,0,0|2,0,0]=4 3986 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,2,0,0,0,0|2,0,0]=4 3987 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,2,0,0,0,0|2,0,0]=4 3988 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,2,0,0,0,0|2,0,0]=4 3989 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,2,0,0,0,0|2,0,0]=4 3990 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,2,0,0,0,0|2,0,0]=4 3991 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,2,0,0,0,0|2,0,0]=4 3992 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,2,0,0,0,0|2,0,0]=4 3993 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,2,0,0,0,0|1,0,0]=3 3994 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,2,0,0,0,0|1,0,0]=3 3995 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,2,0,0,0,0|1,0,0]=3 3996 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,2,0,0,0,0|1,0,0]=3 3997 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,2,0,0,0,0|1,0,0]=3 3998 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,2,0,0,0,0|1,0,0]=3 3999 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,2,0,0,0,0|1,0,0]=3 4000 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 11a_200020589227_100015343762 [0,2,0,0,0,0|1,1,0]=4 4001 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 1626a_200020589227_100015343762 [0,2,0,0,0,0|1,1,0]=4 4002 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 240690a_200020589227_100015343762 [0,2,0,0,0,0|1,1,0]=4 4003 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 527a_200020589227_100103153847 [0,2,0,0,0,0|1,1,0]=4 4004 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,2,0,0,0,0|2,0,0]=4 4005 B9R0.57 CC(C)C(C)NS(=O)(=O)C 40a_100000211541_100000738038 [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,2,0,0,0,0|1,0,1]=4 4007 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,2,0,0,0,0|1,0,1]=4 4008 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,2,0,0,0,0|1,0,0]=3 4010 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,2,0,0,0,0|1,0,0]=3 4011 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,2,0,0,0,0|1,0,0]=3 4012 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,2,0,0,0,0|1,0,0]=3 4013 B9R0.77 CC(C)(C)CNS(=O)(=O)C 40a_100000743828_100000738038 [0,2,0,0,0,0|2,0,0]=4 4014 B9R0.77 CC(C)(C)COC(C)(C)C 34a_100015890283_100011219605 [0,2,0,0,0,0|1,0,1]=4 4015 B9R0.77 CC(C)(F)CNS(=O)(=O)C 40a_100020643315_100000738038 [0,2,0,0,0,0|2,0,0]=4 4016 B9R0.77 CC(C)(F)COC(C)(C)C 34a_100000716592_100000210625 [0,2,0,0,0,0|1,0,1]=4 4017 B9R0.77 CC(C)(F)COC(C)(C)C 34a_100015890283_100011997219 [0,2,0,0,0,0|1,0,1]=4 4018 B9R0.77 CC(C)(O)CNS(=O)(=O)C 40a_100000751335_100000738038 [0,2,0,0,0,0|2,0,0]=4 4019 B9R0.77 CC(C)(O)COC(C)(C)C 34a_100015890283_100000764493 [0,2,0,0,0,0|1,0,1]=4 4020 B9R0.77 CC(C)(O)COC(C)(C)C 7a_100015890283_100000764493 [0,2,0,0,0,0|1,0,1]=4 4021 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 4022 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4023 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4024 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 4025 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4026 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4027 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 4028 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 4029 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 4030 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 4031 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 4032 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 4033 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 4034 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,1,0,0|1,0,1]=4 4035 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 4036 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 4037 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 4038 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 4039 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 4040 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,1,0,0|1,0,1]=4 4041 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 4042 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 4043 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 4044 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 4045 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [1,0,0,1,0,0|2,0,0]=4 4046 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [1,0,0,1,0,0|1,0,1]=4 4047 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [1,0,0,1,0,0|1,0,1]=4 4048 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [1,0,0,1,0,0|1,0,1]=4 4049 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [1,0,0,1,0,0|1,0,1]=4 4050 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [1,0,0,1,0,0|1,0,1]=4 4051 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|0,0,1]=3 4052 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|0,0,1]=3 4053 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|1,0,1]=4 4054 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|1,0,1]=4 4055 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|0,1,1]=4 4056 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|0,1,1]=4 4057 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|2,0,0]=4 4058 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|2,0,0]=4 4059 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|2,0,0]=4 4060 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|2,0,0]=4 4061 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 4062 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|2,0,0]=4 4063 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 4064 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|2,0,0]=4 4065 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|2,0,0]=4 4066 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [1,0,0,1,0,0|1,0,1]=4 4067 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|2,0,0]=4 4068 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|2,0,0]=4 4069 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|2,0,0]=4 4070 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 4071 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 4072 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|2,0,0]=4 4073 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|2,0,0]=4 4074 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [1,0,0,1,0,0|1,0,1]=4 4075 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [1,0,0,1,0,0|1,0,1]=4 4076 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [1,0,0,1,0,0|1,0,1]=4 4077 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,1,0,0|2,0,0]=4 4078 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,1,0,0|2,0,0]=4 4079 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 4080 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 4081 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 4082 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 4083 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,0]=3 4084 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,0]=3 4085 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 4086 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 4087 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 4088 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 4089 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|1,0,0]=3 4090 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|1,0,0]=3 4091 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,0]=3 4092 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 4093 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 4094 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 4095 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 4096 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|2,0,0]=4 4097 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|2,0,0]=4 4098 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|2,0,0]=4 4099 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 4100 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 4101 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|1,0,0]=3 4102 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [1,0,0,1,0,0|1,0,1]=4 4103 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 4104 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,0,0,1,1,0|2,0,0]=4 4105 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,0,0,1,1,0|2,0,0]=4 4106 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,0,0,1,1,0|2,0,0]=4 4107 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,0,0,1,1,0|2,0,0]=4 4108 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [0,0,0,1,0,1|1,0,1]=4 4109 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,1|2,0,0]=4 4110 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,1|2,0,0]=4 4111 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,1|2,0,0]=4 4112 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,1|2,0,0]=4 4113 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 4114 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 4115 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,1|2,0,0]=4 4116 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,1|2,0,0]=4 4117 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,1|1,0,0]=3 4118 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,1|1,0,0]=3 4119 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,1|1,0,0]=3 4120 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,0,0,1,0,1|1,0,0]=3 4121 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [0,0,0,1,0,1|1,0,1]=4 4122 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,1|2,0,0]=4 4123 B9R1.35 Cc1nc(no1)C(C)C 270196a_100000210513_100000070787 [0,0,0,1,0,1|1,0,1]=4 4124 B9R1.35 Cc1noc(n1)C(C)C 270196a_100000212224_100000210198 [0,0,0,1,0,1|1,0,1]=4 4125 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,1|2,0,0]=4 4126 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,0,1,0,1|1,0,1]=4 4127 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,0,1,0,1|1,0,1]=4 4128 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,1|2,0,0]=4 4129 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,1|2,0,0]=4 4130 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,1|2,0,0]=4 4131 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,1|2,0,0]=4 4132 B9R1.53 C=C(C)CN1CC(C1)C 2230a_100000702820_100000748629 [0,0,0,1,0,1|2,0,0]=4 4133 B9R1.53 C=C(C)CN1CC(C1)C 269982a_100000702820_100000748629 [0,0,0,1,0,1|2,0,0]=4 4134 B9R1.53 C=C(C)CN1CC(C1)C 34a_100000702820_100000748629 [0,0,0,1,0,1|2,0,0]=4 4135 B9R1.53 C=C1CC(C1)NC(C)C 2230a_100132301982_100000210206 [0,0,0,1,0,1|2,0,0]=4 4136 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 4137 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 4138 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,0,0,1,0,1|2,0,0]=4 4139 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,0,0,1,0,1|2,0,0]=4 4140 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,0,0,1,0,1|2,0,0]=4 4141 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 4142 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 4143 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,0,0,1,0,1|2,0,0]=4 4144 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,0,0,1,0,1|2,0,0]=4 4145 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,0,0,1,0,1|1,0,0]=3 4146 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,0,0,1,0,1|1,0,0]=3 4147 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,0,0,1,0,1|1,0,0]=3 4148 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,0,0,1,0,1|2,0,0]=4 4149 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,0,0,1,0,1|2,0,0]=4 4150 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,0,0,1,0,1|2,0,0]=4 4151 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,0,0,1,0,1|2,0,0]=4 4152 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,0,0,1,0,1|2,0,0]=4 4153 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,0,0,1,0,1|2,0,0]=4 4154 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,0,0,1,0,1|2,0,0]=4 4155 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,0,1,0,1|2,0,0]=4 4156 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,0,0,1,0,1|2,0,0]=4 4157 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,0,0,1,0,1|2,0,0]=4 4158 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,1|2,0,0]=4 4159 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,1|2,0,0]=4 4160 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,1|1,0,0]=3 4161 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,1|1,0,0]=3 4162 B9R1.85 C=C(C)COCC1CO1 34a_100000210245_102125554688 [0,0,0,1,0,1|2,0,0]=4 4163 B9R1.85 C=C(C)COC[C@@H]1CO1 34a_100000757423_100000748629 [0,0,0,1,0,1|2,0,0]=4 4164 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,1|1,1,0]=4 4165 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,1|1,1,0]=4 4166 B9R1.85 C=C(F)COCC1CC1 34a_100000211283_100009893438 [0,0,0,1,0,1|1,0,1]=4 4167 B9R1.85 C=C(F)COCC1CC1 34a_200010262243_100000742324 [0,0,0,1,0,1|1,0,1]=4 4168 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [0,0,0,1,0,1|2,0,0]=4 4169 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [0,0,0,1,0,1|2,0,0]=4 4170 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,0,0,1,0,1|2,0,0]=4 4171 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,0,0,1,0,1|2,0,0]=4 4172 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,0,0,1,0,1|1,0,1]=4 4173 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,1|2,0,0]=4 4174 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,1|1,0,0]=3 4175 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,1|1,0,0]=3 4176 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,1|0,0,0]=2 4177 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,1|1,0,0]=3 4178 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,1|0,1,0]=3 4179 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,1|1,0,0]=3 4180 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,1|1,0,0]=3 4181 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,1|1,0,0]=3 4182 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,0,0,1,0,1|1,0,1]=4 4183 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,1|1,0,0]=3 4184 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,1|0,0,0]=2 4185 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,1|0,0,0]=2 4186 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [0,0,0,1,0,1|1,0,1]=4 4187 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,0,0,1,0,1|1,0,1]=4 4188 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [0,0,0,1,0,1|1,0,1]=4 4189 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [0,0,0,1,0,1|1,0,1]=4 4190 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [0,0,0,1,0,1|0,0,2]=4 4191 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [0,0,0,1,0,1|0,0,2]=4 4192 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,0,0,1,0,1|1,0,1]=4 4193 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,0,0,1,0,1|1,0,1]=4 4194 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,0,0,1,0,1|1,0,1]=4 4195 B9R1.85 CC(C)OCNC1CC1 34a_100000212008_100000709892 [0,0,0,1,0,1|1,0,1]=4 4196 B9R1.85 CC(C)OCSC1CC1 62a_100000709892_100000211595 [0,0,0,1,0,1|1,0,1]=4 4197 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [0,0,0,1,0,1|1,0,1]=4 4198 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,0,0,1,0,1|0,0,2]=4 4199 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [0,0,0,1,0,1|1,0,1]=4 4200 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [0,0,0,1,0,1|1,0,1]=4 4201 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,0,0,1,0,1|0,0,2]=4 4202 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,0,1,0,1|2,0,0]=4 4203 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,0,1,0,1|2,0,0]=4 4204 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,0,1,0,1|2,0,0]=4 4205 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,1|2,0,0]=4 4206 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,1|2,0,0]=4 4207 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,1|2,0,0]=4 4208 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,1|1,0,0]=3 4209 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,0,0,1,0,1|2,0,0]=4 4210 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,1|1,1,0]=4 4211 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,1|1,1,0]=4 4212 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,1|2,0,0]=4 4213 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,1|2,0,0]=4 4214 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,1|2,0,0]=4 4215 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,1|1,0,0]=3 4216 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,0,0,1,0,1|2,0,0]=4 4217 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,1|1,1,0]=4 4218 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,1|1,1,0]=4 4219 B9R1.85 O=[N+]([O-])COCC1CC1 34a_100000211283_100000761209 [0,0,0,1,0,1|2,0,0]=4 4220 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,1|0,1,0]=3 4221 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,1,0,1,0,0|2,0,0]=4 4222 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 4223 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,1,0,0|1,0,0]=3 4224 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 4225 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|1,0,0]=3 4226 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,1,0,0|1,0,0]=3 4227 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,1,0,0|2,0,0]=4 4228 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 4229 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,1,0,0|1,0,0]=3 4230 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 4231 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|1,0,0]=3 4232 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,1,0,0|1,0,0]=3 4233 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,1,0,0|2,0,0]=4 4234 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,1,0,1,0,0|2,0,0]=4 4235 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,1,0,1,0,0|2,0,0]=4 4236 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,1,0,1,0,0|2,0,0]=4 4237 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,1,0,0|2,0,0]=4 4238 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|2,0,0]=4 4239 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,1,0,0|2,0,0]=4 4240 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,1,0,0|2,0,0]=4 4241 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,1,0,1,0,0|1,0,1]=4 4242 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,1,0,1,0,0|1,0,1]=4 4243 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,1,0,1,0,0|1,0,1]=4 4244 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,1,0,1,0,0|1,0,1]=4 4245 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,1,0,1,0,0|1,0,1]=4 4246 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,1,0,1,0,0|1,0,1]=4 4247 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 4248 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,1,0,1,0,0|2,0,0]=4 4249 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 4250 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 4251 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 4252 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,1,0,1,0,0|2,0,0]=4 4253 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 2708a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 4254 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100102657272 [0,1,0,1,0,0|2,0,0]=4 4255 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100102657272_100015190264 [0,1,0,1,0,0|2,0,0]=4 4256 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 512a_106832991638_100015190264 [0,1,0,1,0,0|2,0,0]=4 4257 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 2708a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 4258 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 273464a_100102657272_100025746932 [0,1,0,1,0,0|2,0,0]=4 4259 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100102657272 [0,1,0,1,0,0|2,0,0]=4 4260 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_106832991638_100025746932 [0,1,0,1,0,0|2,0,0]=4 4261 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 4262 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 4263 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 4264 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 527a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 4265 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,1,0,1,0,0|1,0,1]=4 4266 B9R1.80 C#CC(C)OCC1CC1 34a_100000211283_200000035995 [0,1,0,1,0,0|1,0,1]=4 4267 B9R1.80 C#C[C@@H](C)OCC1CC1 34a_100009815206_100000742324 [0,1,0,1,0,0|1,0,1]=4 4268 B9R1.80 C#C[C@@H](C)OCC1CC1 7a_100009815206_100000742324 [0,1,0,1,0,0|1,0,1]=4 4269 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,1,0,1,0,0|1,0,1]=4 4270 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,1,0,1,0,0|1,0,1]=4 4271 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,1,0,1,0,0|1,0,1]=4 4272 B9R1.80 C=CC(C)OCC1CC1 34a_100000695699_100000742324 [0,1,0,1,0,0|1,0,1]=4 4273 B9R1.80 CC(C#N)OCC1CC1 34a_100011218135_100000742324 [0,1,0,1,0,0|1,0,1]=4 4274 B9R1.80 CC(CF)OCC1CC1 34a_100016041109_100000742324 [0,1,0,1,0,0|1,0,1]=4 4275 B9R1.80 CC(CF)OCC1CC1 7a_100016041109_100000742324 [0,1,0,1,0,0|1,0,1]=4 4276 B9R1.80 CC(CN)COC1CC1 34a_100000744482_100000211595 [0,1,0,1,0,0|1,0,1]=4 4277 B9R1.80 CC(CN)OCC1CC1 34a_100000210904_100000742324 [0,1,0,1,0,0|1,0,1]=4 4278 B9R1.80 CC(CO)OCC1CC1 34a_100000211283_100012180447 [0,1,0,1,0,0|0,0,2]=4 4279 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|1,0,1]=4 4280 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|1,0,0]=3 4281 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|1,0,0]=3 4282 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|2,0,0]=4 4283 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,1,0,1,0,0|2,0,0]=4 4284 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,1,0,1,0,0|2,0,0]=4 4285 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 4286 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 4287 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 4288 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,1,0,1,0,0|1,0,0]=3 4289 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,1,0,1,0,0|2,0,0]=4 4290 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,1,0,1,0,0|1,0,1]=4 4291 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,1,0,1,0,0|1,0,1]=4 4292 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,1,0,1,0,0|1,0,1]=4 4293 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,1,0,1,0,0|1,0,1]=4 4294 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,1,0,1,0,0|1,0,1]=4 4295 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,1,0,1,0,0|1,0,0]=3 4296 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 4297 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 4298 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,1,0,1,0,0|1,0,0]=3 4299 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,1,0,1,0,0|2,0,0]=4 4300 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,1,0,1,0,0|2,0,0]=4 4301 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,1,0,1,0,0|2,0,0]=4 4302 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,1,0,1,0,0|1,0,0]=3 4303 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 4304 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 4305 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,1,0,1,0,0|1,0,0]=3 4306 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,1,0,1,0,0|1,0,0]=3 4307 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,1,0,1,0,0|1,0,0]=3 4308 B9R1.80 CNC(=O)NNC1CC1 273464a_100102657272_100000701032 [0,1,0,1,0,0|2,0,0]=4 4309 B9R1.80 CNC(=O)NNC1CC1 512a_100000701032_100102657272 [0,1,0,1,0,0|2,0,0]=4 4310 B9R1.80 CNC(=O)NNC1CC1 512a_106832991638_100000701032 [0,1,0,1,0,0|2,0,0]=4 4311 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|2,0,0]=4 4312 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|2,0,0]=4 4313 B9R1.80 COC(C)COC1CC1 34a_100000690652_100000211595 [0,1,0,1,0,0|1,0,1]=4 4314 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,1,0,1,0,0|1,0,1]=4 4315 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,1,0,1,0,0|1,0,0]=3 4316 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|1,0,0]=3 4317 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|2,0,0]=4 4318 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 4319 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|1,0,0]=3 4320 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [0,1,0,1,0,0|2,0,0]=4 4321 B9R1.82 C=CC(=O)N1CC(C1)C 240690a_100000702820_200121576911 [0,1,0,1,0,0|1,0,1]=4 4322 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,1,0,0|1,0,0]=3 4323 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,1,0,0|1,0,0]=3 4324 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,1,0,0|1,0,0]=3 4325 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|1,0,0]=3 4326 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [0,1,0,1,0,0|2,0,0]=4 4327 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [0,1,0,1,0,0|2,0,0]=4 4328 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,1,0,0|1,0,0]=3 4329 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,1,0,0|1,0,0]=3 4330 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,1,0,0|1,0,0]=3 4331 B9R1.82 CCC(=O)N1CC(C1)F 11a_100000690557_100000210414 [0,1,0,1,0,0|2,0,0]=4 4332 B9R1.82 CCC(=O)N1CC(C1)F 240690a_100000690557_100000210414 [0,1,0,1,0,0|2,0,0]=4 4333 B9R1.82 CCC(=O)N1CC(C1)F 527a_100000690557_100000210414 [0,1,0,1,0,0|2,0,0]=4 4334 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 4335 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 4336 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [0,1,0,1,0,0|2,0,0]=4 4337 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|2,0,0]=4 4338 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [0,1,0,1,0,0|2,0,0]=4 4339 B9R1.82 CN1CC(C1)C(=O)CF 1458a_100012002723_100015361967 [0,1,0,1,0,0|2,0,0]=4 4340 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|1,0,0]=3 4341 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4342 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4343 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|1,0,0]=3 4344 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [0,1,0,1,0,0|2,0,0]=4 4345 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4346 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4347 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [0,1,0,1,0,0|2,0,0]=4 4348 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [0,1,0,1,0,0|2,0,0]=4 4349 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [0,1,0,1,0,0|2,0,0]=4 4350 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [0,1,0,1,0,0|2,0,0]=4 4351 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,1,0,1,0,0|1,0,0]=3 4352 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,1,0,1,0,0|1,0,0]=3 4353 B9R1.82 CNC(=O)N1CC(C1)F 2708a_100102657272_100000690557 [0,1,0,1,0,0|2,0,0]=4 4354 B9R1.82 CNC(=O)N1CC(C1)F 273464a_100102657272_100000690557 [0,1,0,1,0,0|2,0,0]=4 4355 B9R1.82 CNC(=O)N1CC(C1)O 2708a_100102657272_100000749847 [0,1,0,1,0,0|2,0,0]=4 4356 B9R1.82 CNC(=O)N1CC(C1)O 273464a_100102657272_100000749847 [0,1,0,1,0,0|2,0,0]=4 4357 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 4358 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,1,0,0|2,0,0]=4 4359 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|2,0,0]=4 4360 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|2,0,0]=4 4361 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [0,1,0,1,0,0|2,0,0]=4 4362 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,1,0,0|2,0,0]=4 4363 B9R1.82 O=C(CO)N1CC(C1)F 240690a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 4364 B9R1.82 O=C(CO)N1CC(C1)F 527a_100000690557_100000210174 [0,1,0,1,0,0|2,0,0]=4 4365 B9R1.82 O=C(CO)N1CC(C1)O 240690a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 4366 B9R1.82 O=C(CO)N1CC(C1)O 527a_100000749847_100000210174 [0,1,0,1,0,0|2,0,0]=4 4367 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,1,0,1,0,0|2,0,0]=4 4368 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,1,0,1,0,0|2,0,0]=4 4369 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,1,0,1,0,0|2,0,0]=4 4370 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,1,0,1,0,0|1,0,0]=3 4371 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,1,0,1,0,0|1,0,0]=3 4372 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,1,0,1,0,0|1,0,0]=3 4373 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,1,0,1,0,0|1,0,0]=3 4374 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,1,0,1,0,0|1,0,0]=3 4375 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,1,0,1,0,0|1,0,0]=3 4376 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,1,0,1,0,0|1,0,0]=3 4377 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,1,0,1,0,0|1,0,0]=3 4378 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 4379 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 4380 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 4381 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,1,0,1,0,0|1,0,0]=3 4382 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,1,0,1,0,0|2,0,0]=4 4383 B9R1.84 CC(=O)NNC1COC1 22a_100015188821_100000070787 [0,1,0,1,0,0|2,0,0]=4 4384 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,1,0,1,0,0|1,0,0]=3 4385 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [0,1,0,1,0,0|1,0,1]=4 4386 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [0,1,0,1,0,0|1,0,1]=4 4387 B9R1.84 CC(C)COC1COC1 34a_100000210257_100009818527 [0,1,0,1,0,0|0,0,2]=4 4388 B9R1.84 CC(C)COC1CSC1 7a_100000072292_100000210760 [0,1,0,1,0,0|0,1,1]=4 4389 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,1,0,1,0,0|1,0,1]=4 4390 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,1,0,1,0,0|1,0,1]=4 4391 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,1,0,1,0,0|1,0,1]=4 4392 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,1,0,1,0,0|1,0,1]=4 4393 B9R1.84 CC(C)OCC1CNC1 34a_100016987283_100000210206 [0,1,0,1,0,0|1,0,1]=4 4394 B9R1.84 CC(C)OCC1COC1 34a_100000060846_100000210206 [0,1,0,1,0,0|1,0,1]=4 4395 B9R1.84 CC(C)OCC1COC1 34a_100000212225_100010264016 [0,1,0,1,0,0|1,0,1]=4 4396 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,0]=3 4397 B9R1.95 CC(=O)N1CC(C1)C#N 11a_100015195279_100015343762 [0,1,0,1,0,0|1,0,1]=4 4398 B9R1.95 CC(=O)N1CC(C1)C#N 527a_100015195279_100103153847 [0,1,0,1,0,0|1,0,1]=4 4399 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,1,0,1,0,0|1,0,0]=3 4400 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,1,0,1,0,0|1,0,0]=3 4401 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,1,0,1,0,0|1,0,0]=3 4402 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,1,0,1,0,0|1,0,0]=3 4403 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,1,0,1,0,0|1,0,0]=3 4404 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,1,0,1,0,0|1,0,0]=3 4405 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,1,0,1,0,0|1,0,0]=3 4406 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,1,0,1,0,0|1,0,0]=3 4407 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,1,0,1,0,0|1,0,0]=3 4408 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,1,0,1,0,0|1,0,0]=3 4409 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,1,0,1,0,0|1,0,0]=3 4410 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|2,0,0]=4 4411 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,1,0,0|1,0,0]=3 4412 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,1,0,0|1,0,0]=3 4413 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,1,0,1,0,0|1,0,0]=3 4414 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,1,0,1,0,0|1,0,0]=3 4415 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,1,0,1,0,0|1,0,0]=3 4416 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,1,0,1,0,0|1,0,0]=3 4417 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,1,0,1,0,0|1,0,0]=3 4418 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,1,0,1,0,0|1,0,0]=3 4419 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,1,0,1,0,0|1,0,0]=3 4420 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,1,0,1,0,0|1,0,0]=3 4421 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,0]=3 4422 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|2,0,0]=4 4423 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,1,0,1,0,0|1,0,0]=3 4424 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,1,0,1,0,0|1,0,0]=3 4425 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,1,0,1,0,0|1,0,0]=3 4426 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,1,0,1,0,0|1,0,0]=3 4427 B9R1.147 CC(=O)NCC1(CC1)O 11a_100011936951_100015343762 [0,1,0,1,0,0|1,0,0]=3 4428 B9R1.147 CC(=O)NCC1(CC1)O 240690a_100011936951_100015343762 [0,1,0,1,0,0|1,0,0]=3 4429 B9R1.147 CC(=O)NCC1(CC1)O 527a_100011936951_100103153847 [0,1,0,1,0,0|1,0,0]=3 4430 B9R1.147 CC(C)COC1(CC1)C 7a_100011725673_100000210760 [0,1,0,1,0,0|1,0,1]=4 4431 B9R1.147 CC(C)OCC1(CC1)C 7a_100000698024_100000210206 [0,1,0,1,0,0|1,0,1]=4 4432 B9R1.147 CC(C)OCC1(CC1)F 34a_200000703853_100000210206 [0,1,0,1,0,0|1,0,1]=4 4433 B9R1.147 CC(C)OCC1(CC1)F 7a_200000703853_100000210206 [0,1,0,1,0,0|1,0,1]=4 4434 B9R1.147 CC(C)OCC1(CO1)C 34a_100000212225_100000760498 [0,1,0,1,0,0|1,0,1]=4 4435 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,1,0,1,0,0|1,0,0]=3 4436 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|1,0,0]=3 4437 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|1,0,0]=3 4438 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 4439 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 4440 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 4441 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,1,0,1,0,0|2,0,0]=4 4442 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|2,0,0]=4 4443 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,1,0,1,0,0|2,0,0]=4 4444 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,1,0,1,0,0|2,0,0]=4 4445 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,1,0,1,0,0|1,0,0]=3 4446 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,1,0,1,0,0|1,0,0]=3 4447 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,1,0,1,0,0|1,0,0]=3 4448 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,1,0,1,0,0|1,0,0]=3 4449 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|2,0,0]=4 4450 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,1,0,1,0,0|1,0,1]=4 4451 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,1,0,1,0,0|1,0,1]=4 4452 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|1,0,1]=4 4453 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,1,0,1,0,0|1,0,0]=3 4454 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,1,0,1,0,0|1,0,0]=3 4455 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,1,0,1,0,0|1,0,0]=3 4456 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,1,0,1,0,0|1,0,0]=3 4457 B9R1.137 CC(C)OC(C)C1CC1 34a_100000744524_100000210206 [0,1,0,1,0,0|1,0,1]=4 4458 B9R1.137 CC(C)OC(C)C1CC1 7a_100000744524_100000210206 [0,1,0,1,0,0|1,0,1]=4 4459 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,1,0,1,0,0|1,0,0]=3 4460 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000030993_200000210301 [0,1,0,1,0,0|2,0,0]=4 4461 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000070787_100010741680 [0,1,0,1,0,0|2,0,0]=4 4462 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,1,0,1,0,0|1,0,0]=3 4463 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,1,0,1,0,0|1,0,0]=3 4464 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,1,0,1,0,0|1,0,0]=3 4465 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,1,0,1,0,0|1,0,0]=3 4466 B9R1.164 CC(=O)N1CC(C1)(C)F 11a_100000696199_100015343762 [0,1,0,1,0,0|1,0,0]=3 4467 B9R1.164 CC(=O)N1CC(C1)(C)F 1626a_100000696199_100015343762 [0,1,0,1,0,0|1,0,0]=3 4468 B9R1.164 CC(=O)N1CC(C1)(C)F 240690a_100000696199_100015343762 [0,1,0,1,0,0|1,0,0]=3 4469 B9R1.164 CC(=O)N1CC(C1)(C)F 527a_100000696199_100103153847 [0,1,0,1,0,0|1,0,0]=3 4470 B9R1.164 CC(=O)N1CC(C1)(C)O 11a_100000718560_100015343762 [0,1,0,1,0,0|1,0,0]=3 4471 B9R1.164 CC(=O)N1CC(C1)(C)O 240690a_100000718560_100015343762 [0,1,0,1,0,0|1,0,0]=3 4472 B9R1.164 CC(=O)N1CC(C1)(C)O 527a_100000718560_100103153847 [0,1,0,1,0,0|1,0,0]=3 4473 B9R1.164 CC(=O)N1CC(C1)(F)F 1626a_100000684464_100015343762 [0,1,0,1,0,0|2,0,0]=4 4474 B9R1.164 CC(=O)N1CC(C1)(F)F 240690a_100000684464_100015343762 [0,1,0,1,0,0|2,0,0]=4 4475 B9R1.164 CC(=O)N1CC(C1)(F)F 527a_100000684464_100103153847 [0,1,0,1,0,0|2,0,0]=4 4476 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,1,0,1,0,0|1,0,0]=3 4477 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,1,0,1,0,0|1,0,0]=3 4478 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,1,0,1,0,0|1,0,0]=3 4479 B9R1.164 [13CH3]C(=O)C1CC(C1)(F)F 1458a_100000030993_200025704644 [0,1,0,1,0,0|2,0,0]=4 4480 B9R1.51 CC1CN(C1)S(=O)(=O)C 40a_100000702820_100000738038 [0,1,0,1,0,0|2,0,0]=4 4481 B9R1.115 CC(C)(C)OCC1CC1 34a_100000211283_100000210625 [0,1,0,1,0,0|1,0,1]=4 4482 B9R1.115 CC(C)(C)OCC1CC1 34a_100015890283_100000742324 [0,1,0,1,0,0|1,0,1]=4 4483 B9R1.115 CC(C)(C)OCC1CC1 7a_100015890283_100000742324 [0,1,0,1,0,0|1,0,1]=4 4484 B9R1.115 CC(C)(F)COC1CC1 34a_100000716592_100000211595 [0,1,0,1,0,0|1,0,1]=4 4485 B9R1.115 CS(=O)(=O)NCC1CC1 40a_100000735609_100000738038 [0,1,0,1,0,0|2,0,0]=4 4486 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,2,0,0|1,0,0]=3 4487 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,2,0,0|1,0,0]=3 4488 B9R2.69 C1CC1COC2CC2 34a_100000211283_100000211595 [0,0,0,2,0,0|1,0,1]=4 4489 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,2,0|0,0,2]=4 4490 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,2,0|0,0,2]=4 4491 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,2,0|0,0,0]=2 4492 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,2,0|0,0,0]=2 4493 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,2,0|1,0,0]=3 4494 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,2,0|2,0,0]=4 4495 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,2,0|1,0,0]=3 4496 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,2,0|1,0,0]=3 4497 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,2,0|1,0,0]=3 4498 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,2,0|1,0,0]=3 4499 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,2,0|1,0,0]=3 4500 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,2,0|1,0,0]=3 4501 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,2,0|0,0,0]=2 4502 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,0,0,2,0|2,0,0]=4 4503 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,0,0,2,0|2,0,0]=4 4504 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,0,0,2,0|2,0,0]=4 4505 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,0,0,2,0|2,0,0]=4 4506 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,2,0|1,0,0]=3 4507 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,2,0|1,0,0]=3 4508 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,2,0|1,0,0]=3 4509 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,2,0|2,0,0]=4 4510 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,0,0,0,0,2|1,0,1]=4 4511 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,0,0,0,0,2|2,0,0]=4 4512 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,0,0,0,0,2|2,0,0]=4 4513 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,0,0,0,0,2|0,0,2]=4 4514 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,0,0,0,0,2|2,0,0]=4 4515 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,0,0,0,0,2|1,0,0]=3 4516 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,0,0,0,0,2|1,0,0]=3 4517 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,0,0,0,0,2|2,0,0]=4 4518 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,0,0,0,0,2|2,0,0]=4 4519 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,0,0,0,0,2|2,0,0]=4 4520 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,0,0,0,0,2|2,0,0]=4 4521 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,0,0,0,0,2|2,0,0]=4 4522 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,0,0,0,0,2|1,1,0]=4 4523 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,0,0,0,0,2|1,1,0]=4 4524 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,0,0,0,0,2|1,0,1]=4 4525 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,0,0,0,0,2|1,0,1]=4 4526 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,0,0,0,0,2|0,0,2]=4 4527 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,0,0,0,0,2|0,0,2]=4 4528 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,0,0,0,0,2|2,0,0]=4 4529 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,0,0,0,0,2|1,0,0]=3 4530 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,0,0,0,0,2|1,0,0]=3 4531 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,0,0,0,0,2|1,0,0]=3 4532 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,0,0,0,0,2|2,0,0]=4 4533 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,0,0,0,0,2|2,0,0]=4 4534 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,0,0,0,0,2|0,0,2]=4 4535 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,0,0,0,0,2|1,0,0]=3 4536 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,0,0,0,0,2|1,1,0]=4 4537 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,0,0,0,0,2|1,1,0]=4 4538 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,0,0,0,0,2|0,0,2]=4 4539 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,0,0,0,0,2|0,0,2]=4 4540 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,0,0,0,0,2|1,1,0]=4 4541 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,0,0,0,0,2|1,1,0]=4 4542 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,0,0,0,0,2|1,0,1]=4 4543 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,0,0,0,0,2|1,0,1]=4 4544 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,0,0,0,0,2|1,0,1]=4 4545 B9R0.55 C=C(F)COCOC(C)C 34a_200010262243_100000709892 [0,0,0,0,0,2|1,0,1]=4 4546 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,0,0,0,0,2|2,0,0]=4 4547 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,0,0,0,0,2|2,0,0]=4 4548 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,0,0,0,0,2|2,0,0]=4 4549 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,0,0,0,0,2|2,0,0]=4 4550 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,0,0,0,0,2|2,0,0]=4 4551 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,0,0,0,0,2|2,0,0]=4 4552 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,0,0,0,0,2|2,0,0]=4 4553 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,0,0,0,0,2|2,0,0]=4 4554 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,0,0,0,0,2|2,0,0]=4 4555 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,2|1,0,1]=4 4556 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,2|1,0,1]=4 4557 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,0,0,0,0,2|2,0,0]=4 4558 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,0,0,0,0,2|1,0,0]=3 4559 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,0,0,0,0,2|1,0,0]=3 4560 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,0,0,0,0,2|2,0,0]=4 4561 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,0,0,0,0,2|2,0,0]=4 4562 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,0,0,0,0,2|2,0,0]=4 4563 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,0,0,0,0,2|2,0,0]=4 4564 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,0,0,0,0,2|2,0,0]=4 4565 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,0,0,0,2|1,1,0]=4 4566 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,0,0,0,2|1,1,0]=4 4567 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,0,2|1,0,0]=3 4568 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,0,2|1,0,0]=3 4569 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,0,0,0,2|2,0,0]=4 4570 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,0,0,0,0,2|1,0,0]=3 4571 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,0,2|1,0,1]=4 4572 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,0,0,0,0,2|1,0,0]=3 4573 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,0,0,0,0,2|1,0,0]=3 4574 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,0,0,0,0,2|1,0,0]=3 4575 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,0,0,0,0,2|1,0,0]=3 4576 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,0,0,0,0,2|1,0,0]=3 4577 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,0,0,0,0,2|0,0,0]=2 4578 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,0,0,0,0,2|0,0,0]=2 4579 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,0,0,0,0,2|1,0,0]=3 4580 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,0,0,0,0,2|1,0,0]=3 4581 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,0,0,0,0,2|2,0,0]=4 4582 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,0,0,0,0,2|2,0,0]=4 4583 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,0,0,0,0,2|2,0,0]=4 4584 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,0,0,0,0,2|1,0,0]=3 4585 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,0,0,0,0,2|1,0,0]=3 4586 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,0,0,0,0,2|0,1,0]=3 4587 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,0,0,0,0,2|0,1,0]=3 4588 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,0,2|1,1,0]=4 4589 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,0,2|1,1,0]=4 4590 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,0,2|1,1,0]=4 4591 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,0,2|1,1,0]=4 4592 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,2|0,0,1]=3 4593 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,0,0,0,0,2|0,0,0]=2 4594 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,0,0,0,0,2|1,0,0]=3 4595 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,0,0,0,0,2|1,0,1]=4 4596 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,0,0,0,0,2|0,0,0]=2 4597 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,0,0,0,0,2|1,0,0]=3 4598 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,0,0,0,0,2|1,0,0]=3 4599 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,0,0,0,0,2|1,0,0]=3 4600 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,0,0,0,0,2|1,0,0]=3 4601 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,0,0,0,0,2|2,0,0]=4 4602 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,0,0,0,0,2|2,0,0]=4 4603 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,0,0,0,0,2|1,0,0]=3 4604 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,0,0,0,0,2|1,0,0]=3 4605 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,0,0,0,0,2|1,0,1]=4 4606 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,0,0,0,0,2|1,0,1]=4 4607 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,0,0,0,0,2|1,0,1]=4 4608 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,0,0,0,0,2|1,0,0]=3 4609 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,0,0,0,0,2|1,0,0]=3 4610 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,0,0,0,0,2|1,0,0]=3 4611 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,0,0,0,0,2|1,0,0]=3 4612 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,0,0,0,0,2|1,0,0]=3 4613 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,0,0,0,0,2|1,0,0]=3 4614 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,0,0,0,0,2|1,0,0]=3 4615 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,0,0,0,0,2|1,0,0]=3 4616 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,0,0,0,0,2|1,0,0]=3 4617 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,0,0,0,0,2|1,0,0]=3 4618 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,0,0,0,0,2|1,0,0]=3 4619 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,0,0,0,0,2|1,0,0]=3 4620 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,0,0,0,0,2|2,0,0]=4 4621 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,0,0,0,0,2|1,0,0]=3 4622 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,0,0,0,0,2|0,0,0]=2 4623 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,0,0,0,0,2|0,0,0]=2 4624 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,0,0,0,0,2|0,0,0]=2 4625 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,0,0,0,0,2|0,0,0]=2 4626 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,0,0,0,0,2|0,0,0]=2 4627 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,0,0,0,0,2|1,0,0]=3 4628 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [0,0,0,0,0,2|2,0,0]=4 4629 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,0,0,0,0,2|1,0,0]=3 4630 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,0,0,0,0,2|0,0,0]=2 4631 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,0,0,0,0,2|1,0,0]=3 4632 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [0,0,0,0,0,2|2,0,0]=4 4633 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,0,0,0,0,2|1,0,0]=3 4634 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,0,0,0,0,2|1,0,0]=3 4635 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,0,0,0,0,2|0,0,0]=2 4636 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,0,0,0,0,2|0,0,0]=2 4637 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,0,0,0,0,2|1,0,0]=3 4638 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,0,0,0,0,2|1,0,0]=3 4639 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [0,0,0,0,0,2|2,0,0]=4 4640 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [0,0,0,0,0,2|2,0,0]=4 4641 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,0,0,0,0,2|1,0,0]=3 4642 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,0,0,0,0,2|1,0,0]=3 4643 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,0,0,0,0,2|1,1,0]=4 4644 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,0,0,0,0,2|1,1,0]=4 4645 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,0,0,0,0,2|1,1,0]=4 4646 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,0,0,0,0,2|1,1,0]=4 4647 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,0,0,0,0,2|2,0,0]=4 4648 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,0,0,0,0,2|2,0,0]=4 4649 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,0,0,0,0,2|2,0,0]=4 4650 B9R0.55 CC(Br)COCOC(C)C 34a_100012180447_100000709892 [0,0,0,0,0,2|1,0,1]=4 4651 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,0,2|1,0,0]=3 4652 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,0,0,0,0,2|1,0,1]=4 4653 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,0,0,0,0,2|1,0,1]=4 4654 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,0,0,0,0,2|1,0,1]=4 4655 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,0,0,0,0,2|2,0,0]=4 4656 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,2|2,0,0]=4 4657 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,0,0,0,0,2|1,0,0]=3 4658 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,0,0,0,0,2|1,0,0]=3 4659 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,0,0,0,0,2|1,0,0]=3 4660 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,0,0,0,0,2|1,0,1]=4 4661 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,0,0,0,0,2|1,0,1]=4 4662 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,0,0,0,0,2|1,0,1]=4 4663 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,0,0,0,0,2|1,0,1]=4 4664 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,0,0,0,0,2|1,0,1]=4 4665 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,0,0,0,0,2|0,0,2]=4 4666 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,0,0,0,0,2|0,0,2]=4 4667 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,0,0,0,0,2|1,0,1]=4 4668 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,0,0,0,0,2|1,0,1]=4 4669 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,0,0,0,0,2|0,0,2]=4 4670 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,0,0,0,0,2|0,0,2]=4 4671 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,0,0,0,0,2|2,0,0]=4 4672 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,0,0,0,0,2|1,1,0]=4 4673 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,0,0,0,0,2|1,1,0]=4 4674 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,0,0,0,0,2|1,1,0]=4 4675 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,0,0,0,0,2|1,1,0]=4 4676 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,0,0,0,0,2|2,0,0]=4 4677 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,0,0,0,0,2|2,0,0]=4 4678 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [0,0,0,0,0,2|1,0,1]=4 4679 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [0,0,0,0,0,2|1,0,1]=4 4680 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,2|1,0,0]=3 4681 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,0,0,0,0,2|1,0,0]=3 4682 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,0,0,0,0,2|1,0,0]=3 4683 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,0,0,0,0,2|1,0,0]=3 4684 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,0,0,0,0,2|1,0,1]=4 4685 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,0,0,0,0,2|0,0,2]=4 4686 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,0,0,0,0,2|1,0,1]=4 4687 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [0,0,0,0,0,2|1,0,1]=4 4688 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,0,0,0,0,2|1,1,0]=4 4689 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,0,0,0,0,2|1,1,0]=4 4690 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,0,0,0,0,2|1,0,1]=4 4691 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,0,0,0,0,2|1,0,1]=4 4692 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,0,0,0,0,2|2,0,0]=4 4693 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,0,0,0,0,2|2,0,0]=4 4694 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,0,0,0,0,2|2,0,0]=4 4695 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,0,0,0,0,2|2,0,0]=4 4696 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,0,0,0,0,2|2,0,0]=4 4697 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,0,0,0,0,2|1,0,0]=3 4698 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [0,0,0,0,0,2|1,0,1]=4 4699 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [0,0,0,0,0,2|1,0,1]=4 4700 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [0,0,0,0,0,2|1,0,1]=4 4701 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [0,0,0,0,0,2|1,0,1]=4 4702 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [0,0,0,0,0,2|1,0,1]=4 4703 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,0,0,0,0,2|2,0,0]=4 4704 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,0,0,0,0,2|2,0,0]=4 4705 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,0,0,0,0,2|1,0,0]=3 4706 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,0,0,0,0,2|1,0,0]=3 4707 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [0,0,0,0,0,2|1,0,1]=4 4708 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [0,0,0,0,0,2|1,0,1]=4 4709 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [0,0,0,0,0,2|1,0,1]=4 4710 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [0,0,0,0,0,2|1,0,1]=4 4711 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [0,0,0,0,0,2|1,0,1]=4 4712 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [0,0,0,0,0,2|1,0,1]=4 4713 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [0,0,0,0,0,2|1,0,1]=4 4714 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [0,0,0,0,0,2|1,0,1]=4 4715 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,0,0,0,0,2|2,0,0]=4 4716 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,2|2,0,0]=4 4717 B9R0.55 CC(C)OCOC[C@@H](C)Cl 34a_100016084084_100000709892 [0,0,0,0,0,2|1,0,1]=4 4718 B9R0.55 CC(C)OCOC[C@@H](C)N 34a_100000737577_100000709892 [0,0,0,0,0,2|1,0,1]=4 4719 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,0,0,0,0,2|1,1,0]=4 4720 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,0,0,0,0,2|1,1,0]=4 4721 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,0,0,0,0,2|1,1,0]=4 4722 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,0,0,0,0,2|1,1,0]=4 4723 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,0,0,0,0,2|2,0,0]=4 4724 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,0,0,0,0,2|2,0,0]=4 4725 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,0,0,0,0,2|2,0,0]=4 4726 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,0,0,0,0,2|2,0,0]=4 4727 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,0,0,0,0,2|1,0,0]=3 4728 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,0,0,0,0,2|1,0,0]=3 4729 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,0,0,0,0,2|2,0,0]=4 4730 B9R0.55 CC(F)COCOC(C)C 34a_100015925927_100000709892 [0,0,0,0,0,2|1,0,1]=4 4731 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,2|2,0,0]=4 4732 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,0,0,0,0,2|2,0,0]=4 4733 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,0,0,0,0,2|2,0,0]=4 4734 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,0,0,0,0,2|2,0,0]=4 4735 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,0,0,0,0,2|2,0,0]=4 4736 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,0,0,0,0,2|2,0,0]=4 4737 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,0,0,0,0,2|2,0,0]=4 4738 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,0,0,0,0,2|2,0,0]=4 4739 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,0,0,0,0,2|2,0,0]=4 4740 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,2|2,0,0]=4 4741 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,0,0,0,0,2|2,0,0]=4 4742 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,0,0,0,0,2|2,0,0]=4