0 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,0,0,0,0,0|1,0,3]=4 20 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|3,0,0]=4 160 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|3,0,0]=4 162 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 174 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 180 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 184 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 187 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,0,0,0,0|3,0,0]=4 188 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.2 CNC(=O)C(F)N(C)C 2230a_100102631434_100009813575 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.2 CNC(=O)C(F)N(C)C 269982a_100102631434_100009813575 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,1,0,0,0,0|3,0,0]=4 206 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,1,0,0,0,0|3,0,0]=4 207 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|1,0,0]=2 225 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|1,0,0]=2 227 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.18 CC(C)C(N[13CH3])C(C)C 2230a_100000690608_200025704644 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.18 CC(C)C(N[13CH3])C(C)C 34a_100000690608_200025704644 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,0,0,0,0|2,0,0]=3 231 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,0,0|0,0,0]=1 233 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,1,0,0,0,0|3,0,0]=4 245 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,0,0,0,0|2,0,0]=3 248 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,0,0,0,0|1,0,0]=2 249 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,0,0|1,0,0]=2 251 B8R0.18 CNC(C(C)C)C(C)C 2230a_100000690608_200000210301 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.18 CNC(C(C)C)C(C)C 34a_100000690608_200000210301 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,0,0|0,0,0]=1 254 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 261 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 262 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,0,0,0,0|2,0,0]=3 264 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,1,0,0,0,0|3,0,0]=4 266 B8R0.37 CN(C)C(C)(C)C(=O)N 2230a_100102631434_100000702505 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.37 CN(C)C(C)(C)C(=O)N 269982a_100102631434_100000702505 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.37 CN(C)C(F)(F)C(=O)N 269982a_100102631434_100009811971 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.37 CN(C)C(F)(F)C(=O)[O-] 269982a_100102631434_100000745680 [0,1,0,0,0,0|2,0,1]=4 271 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|2,0,0]=3 276 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 278 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 279 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 280 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|2,0,0]=3 283 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,0,0,0,1|2,0,1]=4 284 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,1|2,0,0]=3 285 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,0,1|3,0,0]=4 286 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,1|2,0,0]=3 287 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,1|2,0,0]=3 288 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,1|2,0,0]=3 289 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,1|2,0,0]=3 290 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,0,0,0,0,1|2,0,1]=4 291 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,0,0,0,0,1|3,0,0]=4 292 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,0,0,0,0,1|3,0,0]=4 293 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,0,0,0,1|3,0,0]=4 294 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,0,0,0,1|3,0,0]=4 295 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,0,0,0,1|3,0,0]=4 296 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,0,0,0,1|3,0,0]=4 297 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,0,0,0,1|2,0,0]=3 298 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,0,0,0,1|2,0,0]=3 299 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,0,0,0,1|2,0,0]=3 300 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,0,0,0,1|2,0,0]=3 301 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,0,0,0,0,1|3,0,0]=4 302 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,0,1|2,0,0]=3 303 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,0,0,0,0,1|2,0,1]=4 304 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,0,0,0,0,1|2,0,1]=4 305 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,0,0,0,0,1|1,0,2]=4 306 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,0,1|2,0,0]=3 307 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,0,0,0,0,1|3,0,0]=4 308 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,0,0,0,0,1|3,0,0]=4 309 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,0,0,0,0,1|2,0,0]=3 310 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,0,0,0,0,1|3,0,0]=4 311 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,0,0,0,0,1|2,0,1]=4 312 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,0,0,0,0,1|2,0,1]=4 313 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,0,0,0,1|2,0,1]=4 314 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,1|2,0,0]=3 315 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,1|2,0,0]=3 316 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,0,0,0,0,1|2,0,0]=3 317 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,0,0,0,0,1|2,0,0]=3 318 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,0,0,0,0,1|1,0,1]=3 319 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,1|1,0,0]=2 320 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,1|2,0,0]=3 321 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,1|2,0,0]=3 322 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,1|2,0,0]=3 323 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,0,0,0,0,1|2,0,0]=3 324 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,0,0,0,0,1|1,0,1]=3 325 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,1|1,0,1]=3 326 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,1|2,0,0]=3 327 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,1|2,0,0]=3 328 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,1|2,0,0]=3 329 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,1|2,0,0]=3 330 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,0,0,0,0,1|2,0,0]=3 331 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,0,0,0,0,1|2,0,0]=3 332 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,0,0,0,0,1|1,0,1]=3 333 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,0,0,0,0,1|1,0,1]=3 334 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,0,0,0,0,1|3,0,0]=4 335 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,0,1|3,0,0]=4 336 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 354 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 358 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 370 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 389 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 390 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|2,0,0]=4 403 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|2,0,0]=4 408 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|0,0,2]=4 411 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,1,0,0,0,0|2,0,0]=4 414 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|1,0,0]=3 418 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 420 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|2,0,0]=4 423 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|2,0,0]=4 424 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,1,0,0,0,0|2,0,0]=4 426 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,0]=2 428 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|1,0,0]=3 432 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,0]=3 434 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,0]=3 446 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|1,0,0]=3 468 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 476 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|2,0,0]=4 480 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 481 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 482 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 485 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,0]=3 492 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 493 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [1,1,0,0,0,0|1,1,0]=4 508 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [1,1,0,0,0,0|1,1,0]=4 509 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,1,0,0,0,0|1,0,0]=3 515 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [1,1,0,0,0,0|1,1,0]=4 517 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|0,0,1]=3 522 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,0]=3 554 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 558 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|1,0,0]=3 561 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|0,0,1]=3 562 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,0]=3 566 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|1,0,0]=3 567 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,0,0]=3 578 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|2,0,0]=4 600 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,1,0,0,0,0|0,0,2]=4 607 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,1,0,0,0,0|0,0,2]=4 608 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [1,1,0,0,0,0|0,0,1]=3 610 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|0,0,1]=3 611 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|2,0,0]=4 613 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|2,0,0]=4 614 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 615 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 616 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,1,0,0,0,0|1,0,0]=3 618 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 619 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 621 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 622 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,1,0,0,0,0|2,0,0]=4 624 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|0,0,0]=2 630 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|0,0,0]=2 631 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 632 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,1,0,0,0,0|1,0,0]=3 637 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [1,1,0,0,0,0|0,0,1]=3 640 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|0,0,1]=3 641 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [1,1,0,0,0,0|1,0,1]=4 642 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 648 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 649 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,1,0,0,0,1|2,0,0]=4 650 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,1,0,0,0,1|2,0,0]=4 651 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,1,0,0,0,1|2,0,0]=4 652 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,1,0,0,0,1|2,0,0]=4 653 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,1,0,0,0,1|2,0,0]=4 654 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,1,0,0,0,1|2,0,0]=4 655 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,1,0,0,0,1|2,0,0]=4 656 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,1,0,0,0,1|2,0,0]=4 657 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,1,0,0,0,1|2,0,0]=4 658 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,1,0,0,0,1|2,0,0]=4 659 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,1,0,0,0,1|2,0,0]=4 660 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,1,0,0,0,1|2,0,0]=4 661 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,1,0,0,0,1|2,0,0]=4 662 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [0,1,0,0,0,1|2,0,0]=4 663 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [0,1,0,0,0,1|2,0,0]=4 664 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,0,0,0,1|2,0,0]=4 665 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [0,1,0,0,0,1|2,0,0]=4 666 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [0,1,0,0,0,1|2,0,0]=4 667 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [0,1,0,0,0,1|2,0,0]=4 668 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [0,1,0,0,0,1|2,0,0]=4 669 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,0,0,0,1|2,0,0]=4 670 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [0,1,0,0,0,1|2,0,0]=4 671 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [0,1,0,0,0,1|2,0,0]=4 672 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [0,1,0,0,0,1|2,0,0]=4 673 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [0,1,0,0,0,1|2,0,0]=4 674 B9R0.11 CC(C)NC(F)(F)C(=O)[O-] 34a_100138425928_100020612412 [0,1,0,0,0,1|1,0,1]=4 675 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100000212225_100000702505 [0,1,0,0,0,1|2,0,0]=4 676 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100011626353_100000210206 [0,1,0,0,0,1|2,0,0]=4 677 B9R0.11 CC(C)OC(C)(C)C(=O)N 7a_100011626353_100000210206 [0,1,0,0,0,1|2,0,0]=4 678 B9R0.11 CC(C)OC(F)(F)C(=O)[O-] 34a_100000212225_100020612412 [0,1,0,0,0,1|1,0,1]=4 679 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000210206_100000702505 [0,1,0,0,0,1|2,0,0]=4 680 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000702505_100000210206 [0,1,0,0,0,1|2,0,0]=4 681 B9R0.11 CC(C)SC(F)(F)C(=O)N 62a_100000210206_100009811971 [0,1,0,0,0,1|2,0,0]=4 682 B9R0.11 CC(C)SC(F)(F)C(=O)N 62a_100009811971_100000210206 [0,1,0,0,0,1|2,0,0]=4 683 B9R0.11 CC(C)SC(F)(F)C(=O)[O-] 62a_100000210206_100000745680 [0,1,0,0,0,1|1,0,1]=4 684 B9R0.11 CC(C)SC(F)(F)C(=O)[O-] 62a_100000745680_100000210206 [0,1,0,0,0,1|1,0,1]=4 685 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [0,1,0,0,0,1|2,0,0]=4 686 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,1,0,0,0,1|2,0,0]=4 687 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,1|1,0,0]=3 688 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,1,0,0,0,1|2,0,0]=4 689 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,1,0,0,0,1|2,0,0]=4 690 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [0,1,0,0,0,1|2,0,0]=4 691 B9R0.23 CC(C)OC(C)C(=O)NN 34a_100000725659_100000210206 [0,1,0,0,0,1|2,0,0]=4 692 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,1,0,0,0,1|2,0,0]=4 693 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [0,1,0,0,0,1|2,0,0]=4 694 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [0,1,0,0,0,1|2,0,0]=4 695 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [0,1,0,0,0,1|2,0,0]=4 696 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,0,0,0,1|2,0,0]=4 697 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,0,0,0,1|2,0,0]=4 698 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [0,1,0,0,0,1|2,0,0]=4 699 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [0,1,0,0,0,1|2,0,0]=4 700 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [0,1,0,0,0,1|2,0,0]=4 701 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [0,1,0,0,0,1|2,0,0]=4 702 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [0,1,0,0,0,1|2,0,0]=4 703 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [0,1,0,0,0,1|2,0,0]=4 704 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [0,1,0,0,0,1|2,0,0]=4 705 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [0,1,0,0,0,1|2,0,0]=4 706 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [0,1,0,0,0,1|2,0,0]=4 707 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [0,1,0,0,0,1|2,0,0]=4 708 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [0,1,0,0,0,1|2,0,0]=4 709 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [0,1,0,0,0,1|2,0,0]=4 710 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [0,1,0,0,0,1|2,0,0]=4 711 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [0,1,0,0,0,1|2,0,0]=4 712 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,1,0,0,0,1|1,0,1]=4 713 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,1,0,0,0,1|1,0,1]=4 714 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,1,0,0,0,1|1,0,1]=4 715 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,1,0,0,0,1|1,0,1]=4 716 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,0,1|2,0,0]=4 717 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,1|1,0,0]=3 718 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,1|1,0,0]=3 719 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,1|1,0,0]=3 720 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,1|1,0,0]=3 721 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,1|1,0,0]=3 722 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,1|1,0,0]=3 723 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,1,0,0,0,1|2,0,0]=4 724 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,1,0,0,0,1|2,0,0]=4 725 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,1,0,0,0,1|1,0,0]=3 726 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,1,0,0,0,1|2,0,0]=4 727 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,1,0,0,0,1|2,0,0]=4 728 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,1,0,0,0,1|0,0,0]=2 729 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,1,0,0,0,1|1,0,0]=3 730 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,1,0,0,0,1|1,0,0]=3 731 B9R0.39 CC(C)NC(C#N)C(=O)N 2230a_100000039599_100000210206 [0,1,0,0,0,1|1,0,1]=4 732 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,1|1,0,0]=3 733 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,1,0,0,0,1|2,0,0]=4 734 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,1|2,0,0]=4 735 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,1,0,0,0,1|2,0,0]=4 736 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,1,0,0,0,1|2,0,0]=4 737 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,1,0,0,0,1|2,0,0]=4 738 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,1,0,0,0,1|2,0,0]=4 739 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,1,0,0,0,1|2,0,0]=4 740 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,1,0,0,0,1|2,0,0]=4 741 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,1,0,0,0,1|2,0,0]=4 742 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,1,0,0,0,1|2,0,0]=4 743 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,1,0,0,0,1|2,0,0]=4 744 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,1,0,0,0,1|2,0,0]=4 745 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,1,0,0,0,1|2,0,0]=4 746 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,1,0,0,0,1|2,0,0]=4 747 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,1|1,0,0]=3 748 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,1,0,0,0,1|0,0,0]=2 749 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,1,0,0,0,1|1,0,0]=3 750 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,1,0,0,0,1|1,0,0]=3 751 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,0,1|2,0,0]=4 752 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,0,1|2,0,0]=4 753 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,1|1,0,1]=4 754 B9R0.42 C=CC(=O)NC(C)C(C)C 1626a_100000211541_100000185746 [0,1,0,0,0,1|2,0,0]=4 755 B9R0.42 C=CC(=O)NC(C)C(C)C 240690a_100000211541_200121576911 [0,1,0,0,0,1|2,0,0]=4 756 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,1|1,0,1]=4 757 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,1|2,0,0]=4 758 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,1,0,0,0,1|2,0,0]=4 759 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,1|2,0,0]=4 760 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,1|2,0,0]=4 761 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,1|2,0,0]=4 762 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,1|2,0,0]=4 763 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,1|1,0,1]=4 764 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,1,0,0,0,1|1,0,1]=4 765 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,1,0,0,0,1|1,0,0]=3 766 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,1,0,0,0,1|1,0,0]=3 767 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [0,1,0,0,0,1|2,0,0]=4 768 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [0,1,0,0,0,1|2,0,0]=4 769 B9R0.42 CC(CF)OC(F)C(=O)N 34a_100016041109_100009813875 [0,1,0,0,0,1|2,0,0]=4 770 B9R0.42 CC(CF)OC(F)C(=O)N 7a_100016041109_100009813875 [0,1,0,0,0,1|2,0,0]=4 771 B9R0.42 CC(CF)OC(F)C(=O)[O-] 34a_100016041109_100020610796 [0,1,0,0,0,1|1,0,1]=4 772 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,1|2,0,0]=4 773 B9R0.42 CC(CN)OC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,1|2,0,0]=4 774 B9R0.42 CC(CN)OC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,1|1,0,1]=4 775 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,1|2,0,0]=4 776 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,1|2,0,0]=4 777 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,1|1,0,1]=4 778 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,1|2,0,0]=4 779 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,1|2,0,0]=4 780 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,1|2,0,0]=4 781 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,1,0,0,0,1|2,0,0]=4 782 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,1,0,0,0,1|1,0,1]=4 783 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,1|2,0,0]=4 784 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,1|2,0,0]=4 785 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,1|2,0,0]=4 786 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [0,1,0,0,0,1|2,0,0]=4 787 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [0,1,0,0,0,1|2,0,0]=4 788 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [0,1,0,0,0,1|2,0,0]=4 789 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [0,1,0,0,0,1|2,0,0]=4 790 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,1|2,0,0]=4 791 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,1|2,0,0]=4 792 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,1,0,0,0,1|2,0,0]=4 793 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,1|1,0,0]=3 794 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,1|2,0,0]=4 795 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,1|2,0,0]=4 796 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,1|2,0,0]=4 797 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,1|2,0,0]=4 798 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,1|2,0,0]=4 799 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,1,0,0,0,1|2,0,0]=4 800 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,1|1,0,1]=4 801 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,1|2,0,0]=4 802 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,1|2,0,0]=4 803 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,1|2,0,0]=4 804 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,1|2,0,0]=4 805 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,1|2,0,0]=4 806 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,1|2,0,0]=4 807 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,1,0,0,0,1|2,0,0]=4 808 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,1,0,0,0,1|2,0,0]=4 809 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,1,0,0,0,1|1,0,1]=4 810 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,1,0,0,0,1|1,0,1]=4 811 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [0,1,0,0,0,1|2,0,0]=4 812 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [0,1,0,0,0,1|2,0,0]=4 813 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [0,1,0,0,0,1|2,0,0]=4 814 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [0,1,0,0,0,1|2,0,0]=4 815 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [0,1,0,0,0,1|2,0,0]=4 816 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [0,1,0,0,0,1|2,0,0]=4 817 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,0,0,0,1|1,0,1]=4 818 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,0,0,0,1|1,0,1]=4 819 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,1,0,0,0,1|2,0,0]=4 820 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,1,0,0,0,1|2,0,0]=4 821 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,1,0,0,0,1|2,0,0]=4 822 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,1,0,0,0,1|2,0,0]=4 823 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,1|1,0,0]=3 824 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,1|2,0,0]=4 825 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,1|2,0,0]=4 826 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,1,0,0,0,1|2,0,0]=4 827 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,1,0,0,0,1|2,0,0]=4 828 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009813875_100009879195 [0,1,0,0,0,1|2,0,0]=4 829 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009879195_100009813875 [0,1,0,0,0,1|2,0,0]=4 830 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100009879195_100020610796 [0,1,0,0,0,1|1,0,1]=4 831 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100020610796_100009879195 [0,1,0,0,0,1|1,0,1]=4 832 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,1,0,0,0,1|2,0,0]=4 833 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,1|1,0,0]=3 834 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,1,0,0,0,1|2,0,0]=4 835 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,1,0,0,0,1|2,0,0]=4 836 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,1,0,0,0,1|1,0,1]=4 837 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,1,0,0,0,1|1,0,1]=4 838 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,1,0,0,0,1|2,0,0]=4 839 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,1,0,0,0,1|2,0,0]=4 840 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,1,0,0,0,1|2,0,0]=4 841 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,1,0,0,0,1|2,0,0]=4 842 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,1,0,0,0,1|2,0,0]=4 843 B9R0.57 CC(C)(C)NC(F)C(=O)N 2230a_100000715429_100009813875 [0,1,0,0,0,1|2,0,0]=4 844 B9R0.57 CC(C)(C)OC(F)C(=O)N 34a_100015890283_100009813875 [0,1,0,0,0,1|2,0,0]=4 845 B9R0.57 CC(C)(C)OC(F)C(=O)N 7a_100015890283_100009813875 [0,1,0,0,0,1|2,0,0]=4 846 B9R0.57 CC(C)(C)OC(F)C(=O)[O-] 34a_100015890283_100020610796 [0,1,0,0,0,1|1,0,1]=4 847 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100000211941_100009813875 [0,1,0,0,0,1|2,0,0]=4 848 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100009813875_100000211941 [0,1,0,0,0,1|2,0,0]=4 849 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100000211941_100020610796 [0,1,0,0,0,1|1,0,1]=4 850 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000211941 [0,1,0,0,0,1|1,0,1]=4 851 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,1,0,0,0,1|2,0,0]=4 852 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,1,0,0,0,1|2,0,0]=4 853 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,1,0,0,0,1|2,0,0]=4 854 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,1,0,0,0,1|2,0,0]=4 855 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,1,0,0,0,1|2,0,0]=4 856 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,1,0,0,0,1|2,0,0]=4 857 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,1,0,0,0,1|2,0,0]=4 858 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,1|1,0,0]=3 859 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,1,0,0,0,1|2,0,0]=4 860 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,1,0,0,0,1|2,0,0]=4 861 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [0,1,0,0,0,1|2,0,0]=4 862 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,1,0,0,0,1|2,0,0]=4 863 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,1,0,0,0,1|2,0,0]=4 864 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,1,0,0,0,1|2,0,0]=4 865 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,1,0,0,0,1|2,0,0]=4 866 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,1,0,0,0,1|2,0,0]=4 867 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,1,0,0,0,1|2,0,0]=4 868 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,1,0,0,0,1|1,0,1]=4 869 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [0,1,0,0,0,1|2,0,0]=4 870 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,1|1,0,0]=3 871 B9R0.79 CC(C)N(C)C(F)C(=O)N 269982a_200000211004_100009813875 [0,1,0,0,0,1|2,0,0]=4 872 B9R0.6 C#CCC(=O)C(C)C(C)C 1458a_100000755409_100000184674 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.6 C#CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000184674 [0,2,0,0,0,0|2,0,0]=4 874 B9R0.6 C#CCN(C)C(C)C(=O)O 269956a_100000749554_100000184674 [0,2,0,0,0,0|2,0,0]=4 875 B9R0.6 C=CCC(=O)C(C)C(C)C 1458a_100000755409_100000210623 [0,2,0,0,0,0|2,0,0]=4 876 B9R0.6 C=CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210623 [0,2,0,0,0,0|2,0,0]=4 877 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.6 CC(C(=O)O)N(C)CC#N 269956a_100000749554_100011215382 [0,2,0,0,0,0|2,0,0]=4 879 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,2,0,0,0,0|2,0,0]=4 880 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,2,0,0,0,0|2,0,0]=4 881 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,2,0,0,0,0|2,0,0]=4 882 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,2,0,0,0,0|2,0,0]=4 883 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,2,0,0,0,0|2,0,0]=4 884 B9R0.6 CC(C)C(C)C(=O)CC#N 1458a_100000755409_100011214920 [0,2,0,0,0,0|2,0,0]=4 885 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,2,0,0,0,0|2,0,0]=4 886 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,2,0,0,0,0|1,0,0]=3 887 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.6 CC(C)[C@@H](O)C(=O)CC#N 1458a_100000691806_100011214920 [0,2,0,0,0,0|2,0,0]=4 889 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,2,0,0,0,0|2,0,0]=4 890 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,2,0,0,0,0|1,0,0]=3 891 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,2,0,0,0,0|2,0,0]=4 892 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,2,0,0,0,0|2,0,0]=4 894 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 895 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 896 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 897 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,2,0,0,0,0|2,0,0]=4 898 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,2,0,0,0,0|2,0,0]=4 899 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,2,0,0,0,0|2,0,0]=4 900 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,2,0,0,0,0|2,0,0]=4 901 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,2,0,0,0,0|2,0,0]=4 902 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,2,0,0,0,0|1,0,0]=3 903 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,2,0,0,0,0|2,0,0]=4 904 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [0,2,0,0,0,0|2,0,0]=4 905 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 906 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 908 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [0,2,0,0,0,0|2,0,0]=4 909 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 910 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,2,0,0,0,0|2,0,0]=4 911 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,2,0,0,0,0|2,0,0]=4 912 B9R0.6 C[C@@H](C(=O)CCO)N(C)C 1458a_100009822176_100000211926 [0,2,0,0,0,0|2,0,0]=4 913 B9R0.6 C[C@@H](OCF)[C@H](N)C(=O)N 34a_100000003557_100015361967 [0,2,0,0,0,0|1,0,0]=3 914 B9R0.25 CC(C)(C)[C@H](O)C(=O)CF 1458a_100009816492_100015361967 [0,2,0,0,0,0|2,0,0]=4 915 B9R0.25 CCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210202 [0,2,0,0,0,0|2,0,0]=4 916 B9R0.25 CN(C(=O)CO)C(C)(C)C 240690a_100011215553_100000210174 [0,2,0,0,0,0|2,0,0]=4 917 B9R0.25 CNC(=O)[C@@H](O)C(C)(C)C 240690a_100102657272_100009816492 [0,2,0,0,0,0|2,0,0]=4 918 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 919 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 920 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 921 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 922 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 923 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|2,0,0]=4 924 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 925 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|2,0,0]=4 926 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,2,0,0,0,0|1,0,0]=3 927 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [0,2,0,0,0,0|1,0,0]=3 928 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,2,0,0,0,0|1,0,1]=4 929 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,2,0,0,0,0|1,0,1]=4 930 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|1,0,1]=4 931 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|1,0,1]=4 932 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|1,0,1]=4 933 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|1,0,1]=4 934 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|1,0,1]=4 935 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,2,0,0,0,0|2,0,0]=4 936 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|0,0,0]=2 937 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|0,0,0]=2 938 B9R0.28 COC(=O)C(C)(C)N(C)C 2230a_100102631434_100000689032 [0,2,0,0,0,0|2,0,0]=4 939 B9R0.28 COC(=O)C(C)(F)N(C)C 2230a_100102631434_200009867631 [0,2,0,0,0,0|2,0,0]=4 940 B9R0.28 COC(=O)C(F)(F)N(C)C 269982a_100102631434_100000211177 [0,2,0,0,0,0|2,0,0]=4 941 B9R0.29 CC(C)C(O[13CH3])C(=NO)N 34a_200015184347_200025704644 [0,2,0,0,0,0|2,0,0]=4 942 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100000709176_200000210301 [0,2,0,0,0,0|2,0,0]=4 943 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100102631434_100000235869 [0,2,0,0,0,0|2,0,0]=4 944 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100000709176_200000210301 [0,2,0,0,0,0|2,0,0]=4 945 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100102631434_100000235869 [0,2,0,0,0,0|2,0,0]=4 946 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 2230a_100000709176_200025704644 [0,2,0,0,0,0|2,0,0]=4 947 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 269982a_100000709176_200025704644 [0,2,0,0,0,0|2,0,0]=4 948 B9R0.29 CCN(C(=O)CO)C(C)C 240690a_100000223864_100000210174 [0,2,0,0,0,0|2,0,0]=4 949 B9R0.29 CCN(C(=O)CO)C(C)C 527a_100000223864_100000210174 [0,2,0,0,0,0|2,0,0]=4 950 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,2,0,0,0,0|2,0,0]=4 951 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|0,0,0]=2 952 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|0,0,0]=2 953 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,2,0,0,0,0|1,0,0]=3 954 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,2,0,0,0,0|2,0,0]=4 956 B9R0.29 CNC(=O)C(NC)C(C)C 2230a_100000690981_200000210301 [0,2,0,0,0,0|1,0,0]=3 957 B9R0.29 CNC(=O)C(NC)C(C)C 34a_100000690981_200000210301 [0,2,0,0,0,0|1,0,0]=3 958 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 2230a_100000690981_200025704644 [0,2,0,0,0,0|1,0,0]=3 959 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 34a_100000690981_200025704644 [0,2,0,0,0,0|1,0,0]=3 960 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 2230a_100102634413_200000210301 [0,2,0,0,0,0|2,0,0]=4 961 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 34a_100102634413_200000210301 [0,2,0,0,0,0|2,0,0]=4 962 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 2230a_100102634413_200025704644 [0,2,0,0,0,0|2,0,0]=4 963 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 34a_100102634413_200025704644 [0,2,0,0,0,0|2,0,0]=4 964 B9R0.29 CNC(C(=O)OC)C(C)C 2230a_106832991635_100000736125 [0,2,0,0,0,0|0,0,0]=2 965 B9R0.29 CNC(C(=O)OC)C(C)C 34a_100102657272_100000736125 [0,2,0,0,0,0|0,0,0]=2 966 B9R0.29 CNC(C(=O)OC)C(C)C 7a_106832991635_100000736125 [0,2,0,0,0,0|0,0,0]=2 967 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|0,0,0]=2 968 B9R0.29 COC(=O)C(OC)C(C)C 34a_100138415774_100000736125 [0,2,0,0,0,0|1,0,0]=3 969 B9R0.29 COC(=O)C(SC)C(C)C 62a_100000736125_200000210301 [0,2,0,0,0,0|1,0,0]=3 970 B9R0.29 COC(=O)C(SC)C(C)C 62a_200000210301_100000736125 [0,2,0,0,0,0|1,0,0]=3 971 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_100000736125_200025704644 [0,2,0,0,0,0|1,0,0]=3 972 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000736125 [0,2,0,0,0,0|1,0,0]=3 973 B9R0.29 COC(=O)[C@H](OC)C(C)C 34a_100009883636_200000210301 [0,2,0,0,0,0|1,0,0]=3 974 B9R0.29 COC(=O)[C@H](OC)C(C)C 7a_100009883636_200000210301 [0,2,0,0,0,0|1,0,0]=3 975 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 34a_100009883636_200025704644 [0,2,0,0,0,0|1,0,0]=3 976 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 7a_100009883636_200025704644 [0,2,0,0,0,0|1,0,0]=3 977 B9R0.29 COC(C(=NO)N)C(C)C 34a_200015184347_200000210301 [0,2,0,0,0,0|2,0,0]=4 978 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|0,0,0]=2 979 B9R0.33 CC(C)C(SCF)C(=O)N 62a_100000230017_100015361967 [0,2,0,0,0,0|2,0,0]=4 980 B9R0.33 CC(C)C(SCF)C(=O)N 62a_100015361967_100000230017 [0,2,0,0,0,0|2,0,0]=4 981 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,2,0,0,0,0|0,0,0]=2 982 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,2,0,0,0,0|1,0,0]=3 983 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,2,0,0,0,0|1,0,0]=3 984 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,2,0,0,0,0|0,0,0]=2 985 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [0,2,0,0,0,0|2,0,0]=4 986 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [0,2,0,0,0,0|2,0,0]=4 987 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [0,2,0,0,0,0|2,0,0]=4 988 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000210202_100000230017 [0,2,0,0,0,0|2,0,0]=4 989 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000230017_100000210202 [0,2,0,0,0,0|2,0,0]=4 990 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [0,2,0,0,0,0|2,0,0]=4 991 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,2,0,0,0,0|1,0,0]=3 992 B9R0.54 CC(=O)[C@H](C(C)C)N(C)C 1458a_100000687188_200000210301 [0,2,0,0,0,0|1,0,0]=3 993 B9R0.54 CC(C)C(C(=O)N)N(C)C 269982a_100102631434_100000230017 [0,2,0,0,0,0|1,0,0]=3 994 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C 269956a_100015941355_200000210301 [0,2,0,0,0,0|0,0,0]=2 995 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)[13CH3] 269956a_100015941355_200025704644 [0,2,0,0,0,0|0,0,0]=2 996 B9R0.54 CC(C)[C@@H](C(=O)[13CH3])N(C)C 1458a_100000687188_200025704644 [0,2,0,0,0,0|1,0,0]=3 997 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,2,0,0,0,0|0,0,0]=2 998 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 2230a_100000765447_200025704644 [0,2,0,0,0,0|1,0,0]=3 999 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 34a_100000765447_200025704644 [0,2,0,0,0,0|1,0,0]=3 1000 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,2,0,0,0,0|0,0,0]=2 1001 B9R0.72 CC(C)[C@H](N[13CH3])C(C)(C)O 2230a_100000718284_200025704644 [0,2,0,0,0,0|1,0,1]=4 1002 B9R0.72 CNC(C(=O)O)C(F)(F)F 269956a_100000036200_200000210301 [0,2,0,0,0,0|2,0,0]=4 1003 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,2,0,0,0,0|0,0,0]=2 1004 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,2,0,0,0,0|0,0,0]=2 1005 B9R0.72 CN[C@@H](C(C)C)C(C)(C)O 2230a_100000718284_200000210301 [0,2,0,0,0,0|1,0,1]=4 1006 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_200000210301 [0,2,0,0,0,0|1,0,0]=3 1007 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_200000210301 [0,2,0,0,0,0|1,0,0]=3 1008 B9R0.72 [13CH3]NC(C(=O)O)C(F)(F)F 269956a_100000036200_200025704644 [0,2,0,0,0,0|2,0,0]=4 1009 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 2230a_100000729261_200025704644 [0,2,0,0,0,0|1,0,0]=3 1010 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 34a_100000729261_200025704644 [0,2,0,0,0,0|1,0,0]=3 1011 B9R0.76 CNC(C)(C(=O)N)C(C)C 2230a_100000729261_200000210301 [0,2,0,0,0,0|1,0,0]=3 1012 B9R0.76 CNC(C)(C(=O)N)C(C)C 34a_100000729261_200000210301 [0,2,0,0,0,0|1,0,0]=3 1013 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 1014 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 1015 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 1016 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 1017 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 1018 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 1019 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 1020 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 1021 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|2,0,0]=4 1022 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|2,0,0]=4 1023 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|2,0,0]=4 1024 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 1025 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 1026 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 1027 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 1028 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|2,0,0]=4 1029 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|2,0,0]=4 1030 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 1031 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|2,0,0]=4 1032 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 1033 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|2,0,0]=4 1034 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|2,0,0]=4 1035 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|2,0,0]=4 1036 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|2,0,0]=4 1037 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|2,0,0]=4 1038 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|2,0,0]=4 1039 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,0,0,1,0,1|2,0,0]=4 1040 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,0,0,1,0,1|2,0,0]=4 1041 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,0,0,1,0,1|2,0,0]=4 1042 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,0,0,1,0,1|2,0,0]=4 1043 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,0,1,0,1|2,0,0]=4 1044 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,0,1,0,1|2,0,0]=4 1045 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,0,0,1,0,1|2,0,0]=4 1046 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,0,0,1,0,1|2,0,0]=4 1047 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,0,0,1,0,1|2,0,0]=4 1048 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,0,0,1,0,1|2,0,0]=4 1049 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,1|1,0,0]=3 1050 B9R1.112 NC(=O)C(F)NC1CC1 34a_100000212008_100009813875 [0,0,0,1,0,1|2,0,0]=4 1051 B9R1.112 NC(=O)C(F)SC1CC1 62a_100009813875_100000211595 [0,0,0,1,0,1|2,0,0]=4 1052 B9R1.112 O=C([O-])C(F)NC1CC1 34a_100000212008_100020610796 [0,0,0,1,0,1|1,0,1]=4 1053 B9R1.112 O=C([O-])C(F)SC1CC1 62a_100020610796_100000211595 [0,0,0,1,0,1|1,0,1]=4 1054 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,0,0,1,0,1|2,0,0]=4 1055 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,0,0,1,0,1|2,0,0]=4 1056 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,0,0,1,0,1|2,0,0]=4 1057 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,0,0,1,0,1|2,0,0]=4 1058 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,0,0,1,0,1|2,0,0]=4 1059 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,0,0,1,0,1|2,0,0]=4 1060 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,0,0,1,0,1|2,0,0]=4 1061 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,1,0,0|2,0,0]=4 1062 B9R1.41 CC(C)c1[nH]ncc1O 271570a_203496583355_100000690187 [0,1,0,1,0,0|1,0,1]=4 1063 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,1,0,0|2,0,0]=4 1064 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 1065 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 1066 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,1,0,0|2,0,0]=4 1067 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,1,0,0|2,0,0]=4 1068 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,1,0,0|2,0,0]=4 1069 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,1,0,0|2,0,0]=4 1070 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,1,0,0|2,0,0]=4 1071 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,1,0,0|2,0,0]=4 1072 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,1,0,0|2,0,0]=4 1073 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,1,0,0|2,0,0]=4 1074 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 1075 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 1076 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 1077 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 1078 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 1079 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 1080 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|2,0,0]=4 1081 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|2,0,0]=4 1082 B9R1.101 CN(C(=O)CO)C1CC1 240690a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 1083 B9R1.101 CN(C(=O)CO)C1CC1 527a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 1084 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,1,0,1,0,0|2,0,0]=4 1085 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|2,0,0]=4 1086 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|2,0,0]=4 1087 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 1088 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 1089 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 1090 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,1,0,1,0,0|1,0,1]=4 1091 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,0,0,0,0,1|2,0,0]=4 1092 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,0,0,0,0,1|2,0,0]=4 1093 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,0,0,0,0,1|2,0,0]=4 1094 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,0,0,0,0,1|2,0,0]=4 1095 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,0,0,0,0,1|2,0,0]=4 1096 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,0,0,0,0,1|2,0,0]=4 1097 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [1,0,0,0,0,1|2,0,0]=4 1098 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [1,0,0,0,0,1|2,0,0]=4 1099 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [1,0,0,0,0,1|2,0,0]=4 1100 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [1,0,0,0,0,1|2,0,0]=4 1101 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [1,0,0,0,0,1|2,0,0]=4 1102 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [1,0,0,0,0,1|2,0,0]=4 1103 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,1|1,0,1]=4 1104 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,0,1|1,0,1]=4 1105 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,1|1,0,1]=4 1106 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,1|1,0,1]=4 1107 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,1|1,0,0]=3 1108 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,1|1,0,0]=3 1109 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,1|2,0,0]=4 1110 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,1|2,0,0]=4 1111 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,1|2,0,0]=4 1112 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,1|1,0,0]=3 1113 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,1|1,0,0]=3 1114 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,1|1,0,0]=3 1115 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,1|1,0,0]=3 1116 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,1|1,0,0]=3 1117 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,1|1,0,0]=3 1118 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,1|1,0,0]=3 1119 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,1|2,0,0]=4 1120 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,1|2,0,0]=4 1121 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,1|2,0,0]=4 1122 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,0,0,0,0,1|2,0,0]=4 1123 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,0,0,0,0,1|2,0,0]=4 1124 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,0,1|1,0,1]=4 1125 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,1|1,0,0]=3 1126 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,1|1,0,0]=3 1127 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,1|1,0,0]=3 1128 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,1|1,0,0]=3 1129 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,1|0,0,0]=2 1130 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,1|0,0,1]=3 1131 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,0,0,0,0,1|1,0,1]=4 1132 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,0,0,0,0,1|1,0,1]=4 1133 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [1,0,0,0,0,1|1,0,1]=4 1134 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,1|1,0,0]=3 1135 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,1|1,0,0]=3 1136 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,1|0,0,1]=3 1137 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,0,0,0,0,1|1,0,1]=4 1138 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [1,0,0,0,0,1|1,0,1]=4 1139 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,1|1,0,0]=3 1140 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,1|1,0,0]=3 1141 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,1|1,0,0]=3 1142 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,1|0,0,1]=3 1143 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,1|0,0,1]=3 1144 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,0,0,0,0,1|1,0,1]=4 1145 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,0,0,0,0,1|1,0,1]=4 1146 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [1,0,0,0,0,1|1,0,1]=4 1147 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,0,0,0,0,1|1,0,1]=4 1148 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,0,0,0,0,1|1,0,1]=4 1149 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,0,0,0,0,1|1,0,1]=4 1150 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,0,0,0,0,1|1,0,1]=4 1151 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,0,0,0,0,1|1,0,1]=4 1152 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,0,0,0,0,1|1,0,1]=4 1153 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,0,0,0,0,1|1,0,1]=4 1154 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,1|2,0,0]=4 1155 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,1|2,0,0]=4 1156 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,1|2,0,0]=4 1157 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,1|2,0,0]=4 1158 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,1|2,0,0]=4 1159 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,0,2|2,0,0]=4 1160 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,0,0,0,2|2,0,0]=4 1161 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,0,0,0,2|2,0,0]=4 1162 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,0,0,0,2|2,0,0]=4 1163 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,0,0,0,2|2,0,0]=4 1164 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,0,0,0,2|2,0,0]=4 1165 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,0,0,0,2|2,0,0]=4 1166 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,0,0,0,0,2|2,0,0]=4 1167 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,0,0,0,0,2|2,0,0]=4 1168 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,0,0,0,0,2|2,0,0]=4 1169 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,0,0,0,0,2|2,0,0]=4 1170 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,0,0,0,0,2|2,0,0]=4 1171 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,0,0,0,0,2|2,0,0]=4 1172 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,0,0,0,0,2|2,0,0]=4 1173 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,0,0,0,0,2|2,0,0]=4 1174 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,0,0,0,0,2|2,0,0]=4 1175 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,0,0,0,0,2|1,0,1]=4 1176 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,2|1,0,0]=3 1177 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,0,0,0,0,2|2,0,0]=4 1178 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,0,0,0,0,2|2,0,0]=4 1179 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,0,0,0,0,2|2,0,0]=4 1180 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,0,0,0,0,2|2,0,0]=4 1181 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,0,0,0,0,2|2,0,0]=4 1182 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,0,0,0,0,2|1,0,1]=4 1183 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,0,0,0,0,2|1,0,1]=4 1184 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,0,0,0,0,2|2,0,0]=4 1185 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,0,0,0,0,2|2,0,0]=4 1186 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,0,0,0,0,2|2,0,0]=4 1187 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,0,0,0,0,2|2,0,0]=4 1188 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,0,0,0,0,2|2,0,0]=4 1189 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,0,0,0,0,2|2,0,0]=4 1190 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,0,0,0,0,2|1,0,1]=4 1191 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,0,0,0,0,2|1,0,1]=4 1192 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,2|1,0,0]=3 1193 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,2|1,0,0]=3 1194 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,2|1,0,0]=3 1195 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,2|2,0,0]=4 1196 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,2|2,0,0]=4 1197 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,0,2|2,0,0]=4 1198 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,0,2|2,0,0]=4 1199 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,0,2|2,0,0]=4 1200 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,0,2|2,0,0]=4 1201 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,0,0,0,0,2|2,0,0]=4 1202 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,0,0,0,0,2|2,0,0]=4 1203 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,0,2|2,0,0]=4