0 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,0,0,0|1,0,0]=2 11 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,0,0,0|1,0,0]=2 18 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.63 C#CC1(CC1)C(=O)C 1458a_100000139144_200000210301 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.63 C#CC1(CC1)C(=O)[13CH3] 1458a_100000139144_200025704644 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000070787_100009889376 [0,1,0,0,0,0|1,0,1]=3 37 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000691320_200000210301 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.63 CC(=O)C1(CC1)CO 1458a_100012027107_200000210301 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,0,0,0|0,0,0]=1 45 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.63 [13CH3]C(=O)C1(CC1)C#N 1458a_100000691320_200025704644 [0,1,0,0,0,0|1,0,1]=3 53 B8R1.63 [13CH3]C(=O)C1(CC1)CO 1458a_100012027107_200025704644 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,0,0,0|0,0,0]=1 56 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,1,0,0,0|3,0,0]=4 59 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,1,0,0,0|3,0,0]=4 60 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,1,0,0,0|3,0,0]=4 61 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,1,0,0,0|3,0,0]=4 62 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,1,0,0,0|2,0,0]=3 65 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,1,0,0,0|2,0,0]=3 67 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,1,0,0,0|2,0,0]=3 68 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,1,0,0,0|2,0,0]=3 69 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,1,0,0,0|3,0,0]=4 70 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,1,0,0,0|3,0,0]=4 71 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,1,0,0,0|3,0,0]=4 72 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,1,0,0,0|3,0,0]=4 73 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,1,0,0,0|3,0,0]=4 74 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,1,0,0,0|3,0,0]=4 75 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,1,0,0,0|3,0,0]=4 76 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,1,0,0,0|3,0,0]=4 77 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,1,0,0,0|3,0,0]=4 78 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,1,0,0,0|3,0,0]=4 79 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,1,0,0,0|3,0,0]=4 80 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,1,0,0,0|3,0,0]=4 81 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,1,0,0,0|2,0,1]=4 82 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,1,0,0,0|2,0,0]=3 83 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,1,0,0,0|3,0,0]=4 84 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,1,0,0,0|3,0,0]=4 85 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,1,0,0,0|3,0,0]=4 86 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,1,0,0,0|3,0,0]=4 88 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,1,0,0,0|3,0,0]=4 89 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,1,0,0,0|3,0,0]=4 90 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,1,0,0,0|2,0,1]=4 92 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,1,0,0,0|3,0,0]=4 93 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,1,0,0,0|3,0,0]=4 95 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,1,0,0,0|3,0,0]=4 96 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,1,0,0,0|3,0,0]=4 97 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,1,0,0,0|3,0,0]=4 98 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,1,0,0,0|3,0,0]=4 99 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,1,0,0,0|3,0,0]=4 100 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,1,0,0,0|3,0,0]=4 101 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,1,0,0,0|2,0,1]=4 103 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,1,0,0,0|2,0,1]=4 104 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,1,0,0,0|3,0,0]=4 105 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,1,0,0,0|3,0,0]=4 106 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,1,0,0,0|3,0,0]=4 108 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,1,0,0,0|2,0,0]=3 109 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,1,0,0,0|2,0,1]=4 110 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,1,0,0,0|3,0,0]=4 111 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,1,0,0,0|3,0,0]=4 112 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,1,0,0,0|3,0,0]=4 113 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,0,1,0,0,0|2,0,0]=3 116 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,0,1,0,0,0|2,0,0]=3 117 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,0,1,0,0,0|2,0,0]=3 118 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,0,1,0,0,0|2,0,0]=3 119 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,0,1,0,0,0|2,0,0]=3 120 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,0,1,0,0,0|2,0,0]=3 121 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,0,0,1|2,0,0]=3 122 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,0,0,1|3,0,0]=4 123 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,0,0,1|2,0,0]=3 124 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,0,0,1|2,0,0]=3 125 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,0,0,1|2,0,0]=3 126 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,0,0,1|2,0,0]=3 127 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,0,0,1|2,0,0]=3 128 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,0,0,1|2,0,0]=3 129 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,0,0,1|2,0,0]=3 130 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,0,0,0,0,1|2,0,0]=3 131 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,0,0,0,0,1|2,0,0]=3 132 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,0,0,1|2,0,0]=3 133 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,0,0,0,0,1|2,0,0]=3 134 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,0,0,1|2,0,0]=3 135 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,0,0,0,0,1|2,0,0]=3 136 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|2,0,0]=4 137 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|2,0,0]=4 138 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|2,0,0]=4 139 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|2,0,0]=4 140 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|1,0,0]=3 141 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|1,0,0]=3 142 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|1,0,0]=3 143 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|2,0,0]=4 144 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|2,0,0]=4 145 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|2,0,0]=4 146 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|2,0,0]=4 147 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|2,0,0]=4 148 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|2,0,0]=4 149 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|2,0,0]=4 150 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,1,0,0,0|1,0,0]=3 151 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,1,0,0,0|1,0,1]=4 152 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|2,0,0]=4 153 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|2,0,0]=4 154 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|2,0,0]=4 155 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|2,0,0]=4 156 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,1,0,0,0|1,0,1]=4 157 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|2,0,0]=4 158 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|2,0,0]=4 159 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|2,0,0]=4 160 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|2,0,0]=4 161 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,1,0,0,0|1,0,1]=4 162 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,1,0,0,0|1,0,1]=4 163 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|2,0,0]=4 164 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|2,0,0]=4 165 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,1,0,0,0|1,0,0]=3 166 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|2,0,0]=4 167 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|2,0,0]=4 168 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,1,0,0,0|1,0,1]=4 169 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,1,0,0,0|1,0,1]=4 170 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,1,0,0,0|1,0,0]=3 171 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,1,0,0,0|1,0,0]=3 172 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,1,0,0,0|2,0,0]=4 173 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,1,0,0,0|2,0,0]=4 174 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,1,0,0,0|2,0,0]=4 175 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,1,0,0,0|2,0,0]=4 176 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,1,0,0,0|2,0,0]=4 177 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,1,0,0,0|2,0,0]=4 178 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,1,0,0,0|2,0,0]=4 179 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,1,0,0,0|1,0,0]=3 180 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,1,0,0,0|2,0,0]=4 181 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,1,0,0,0|2,0,0]=4 182 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,1,0,0,0|2,0,0]=4 183 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [2,0,0,0,0,0|2,0,0]=4 184 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [2,0,0,0,0,0|2,0,0]=4 185 B5R1.3 COC1CC1 34a_100138415774_100000211595 [2,0,0,0,0,0|2,0,0]=4 186 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [2,0,0,0,0,0|2,0,0]=4 187 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [2,0,0,0,0,0|2,0,0]=4 188 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,1,0,0,0|2,0,0]=4 190 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 191 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 192 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,1,0,0,0|1,0,0]=3 193 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,1,0,0,0|2,0,0]=4 194 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,1,0,0,0|2,0,0]=4 195 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,1,0,0,0|2,0,0]=4 196 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,1,0,0,0|2,0,0]=4 197 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,1,0,0,0|2,0,0]=4 200 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,1,0,0,0|2,0,0]=4 201 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,1,0,0,0|1,0,0]=3 202 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,1,0,0,0|2,0,0]=4 203 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,1,0,0,0|2,0,0]=4 205 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,1,0,0,0|2,0,0]=4 206 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,1,0,0,0|2,0,0]=4 207 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,1,0,0,0|2,0,0]=4 209 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,1,0,0,0|1,0,1]=4 210 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,1,0,0,0|1,0,1]=4 211 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,1,0,0,0|2,0,0]=4 212 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,1,0,0,0|2,0,0]=4 214 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,1,0,0,0|2,0,0]=4 215 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,1,0,0,0|2,0,0]=4 216 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,1,0,0,0|2,0,0]=4 217 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,1,0,0,0|2,0,0]=4 219 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,1,0,0,0|2,0,0]=4 220 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,1,0,0,0|1,0,1]=4 222 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,1,0,0,0|1,0,1]=4 223 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,1,0,0,0|1,0,0]=3 224 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,1,0,0,0|1,0,0]=3 225 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,1,0,0,0|2,0,0]=4 226 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,1,0,0,0|2,0,0]=4 227 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 229 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,1,0,0,0|2,0,0]=4 230 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,1,0,0,0|1,0,0]=3 231 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,1,0,0,0|2,0,0]=4 232 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,1,0,0,0|2,0,0]=4 233 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,1,0,0,0|2,0,0]=4 234 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,1,0,0,0|1,0,0]=3 235 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,1,0,0,0|1,0,0]=3 236 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,1,0,0,0|2,0,0]=4 237 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,1,0,0,0|2,0,0]=4 238 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|2,0,0]=4 239 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|2,0,0]=4 240 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,1,0,0,0|2,0,0]=4 242 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,1,0,0,0|1,0,0]=3 243 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,1,0,0,0|2,0,0]=4 244 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 245 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 247 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,1,0,0,0|2,0,0]=4 248 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,1,0,0,0|2,0,0]=4 249 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 250 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 251 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,1,0,0,0|2,0,0]=4 252 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,1,0,0,0|2,0,0]=4 253 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,1,0,0,0|2,0,0]=4 254 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,1,0,0,0|2,0,0]=4 255 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,1,0,0,0|2,0,0]=4 256 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,1,0,0,0|2,0,0]=4 257 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,1,0,0,0|2,0,0]=4 258 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,1,0,0,0|2,0,0]=4 259 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,1,0,0,0|2,0,0]=4 260 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,1,0,0,0|2,0,0]=4 261 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,1,0,0,0|2,0,0]=4 263 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,1,0,0,0|2,0,0]=4 264 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,1,0,0,0|2,0,0]=4 265 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,1,0,0,0|2,0,0]=4 266 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,1,0,0,0|2,0,0]=4 267 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,1,0,0,0|0,0,2]=4 268 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,1,0,0,0|0,0,2]=4 269 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,1,0,0,0|2,0,0]=4 271 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,1,0,0,0|2,0,0]=4 272 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,1,0,0,0|1,0,0]=3 273 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,1,0,0,0|1,0,0]=3 274 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,1,0,0,0|1,0,0]=3 275 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,1,0,0,0|1,0,0]=3 276 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,1,0,0,0|1,0,0]=3 277 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,1,0,0,0|1,0,0]=3 278 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,1,0,0,0|1,0,0]=3 279 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,1,0,0,0|2,0,0]=4 280 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,1,0,0,0|0,0,0]=2 287 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,1,0,0,0|0,0,0]=2 288 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,1,0,0,0|1,0,1]=4 289 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,1,0,0,0|1,0,1]=4 290 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,1,0,0,0|1,0,1]=4 291 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,1,0,0,0|1,0,1]=4 292 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,1,0,0,0|1,0,0]=3 293 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,1,0,0,0|2,0,0]=4 295 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,1,0,0,0|1,0,0]=3 296 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,1,0,0,0|2,0,0]=4 299 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,1,0,0,0|2,0,0]=4 301 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,1,0,0,0|2,0,0]=4 302 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,1,0,0,0|2,0,0]=4 304 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [1,1,0,0,0,0|1,0,1]=4 305 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [1,1,0,0,0,0|1,0,1]=4 306 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [1,1,0,0,0,0|1,0,1]=4 307 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [1,1,0,0,0,0|1,0,1]=4 308 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [1,1,0,0,0,0|1,0,1]=4 309 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [1,1,0,0,0,0|1,0,1]=4 310 B7R1.29 C#CC1(CC1)NC 34a_100020639468_200000210301 [1,1,0,0,0,0|1,0,1]=4 311 B7R1.29 C#CC1(CC1)N[13CH3] 34a_100020639468_200025704644 [1,1,0,0,0,0|1,0,1]=4 312 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [1,1,0,0,0,0|1,0,1]=4 313 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [1,1,0,0,0,0|1,0,1]=4 314 B7R1.29 CNC1(CC1)C#N 2230a_100000756336_200000210301 [1,1,0,0,0,0|1,0,1]=4 315 B7R1.29 CNC1(CC1)C#N 34a_100000756336_200000210301 [1,1,0,0,0,0|1,0,1]=4 316 B7R1.29 CNC1(CC1)C#N 34a_100102657272_100009889376 [1,1,0,0,0,0|1,0,1]=4 317 B7R1.29 CNC1(CC1)CF 2230a_100000054953_200000210301 [1,1,0,0,0,0|1,0,1]=4 318 B7R1.29 CNC1(CC1)CF 34a_100000054953_200000210301 [1,1,0,0,0,0|1,0,1]=4 319 B7R1.29 [13CH3]NC1(CC1)C#N 2230a_100000756336_200025704644 [1,1,0,0,0,0|1,0,1]=4 320 B7R1.29 [13CH3]NC1(CC1)C#N 34a_100000756336_200025704644 [1,1,0,0,0,0|1,0,1]=4 321 B7R1.29 [13CH3]NC1(CC1)CF 2230a_100000054953_200025704644 [1,1,0,0,0,0|1,0,1]=4 322 B7R1.29 [13CH3]NC1(CC1)CF 34a_100000054953_200025704644 [1,1,0,0,0,0|1,0,1]=4 323 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,1,0,0,0,0|1,0,0]=3 324 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,1,0,0,0,0|1,0,0]=3 325 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,1,0,0,0,0|1,0,0]=3 326 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,1,0,0,0,0|1,0,0]=3 327 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [1,1,0,0,0,0|1,0,1]=4 328 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [1,1,0,0,0,0|1,0,1]=4 329 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,1,0,0,0,0|1,0,0]=3 330 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,1,0,0,0,0|1,0,0]=3 332 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,1,0,0,0,0|1,0,0]=3 333 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,1,0,0,0,0|1,0,0]=3 334 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,1,0,0,0,0|1,0,0]=3 335 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [1,1,0,0,0,0|1,0,1]=4 340 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [1,1,0,0,0,0|1,0,1]=4 341 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,1,0,0,0,0|1,0,0]=3 342 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.113 C=CC(=O)NC1(CC1)C 1626a_100000757604_100000185746 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.113 C=CC(=O)NC1(CC1)C 240690a_100000757604_200121576911 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.113 CC1(CC1)NC(=O)CO 240690a_100000757604_100000210174 [0,1,0,0,0,1|1,0,0]=3 347 B9R1.113 CC1(CC1)NC(=O)CO 527a_100000757604_100000210174 [0,1,0,0,0,1|1,0,0]=3 348 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.113 CCC(=O)NC1(CC1)C 11a_100000757604_100000210414 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.113 CCC(=O)NC1(CC1)C 1626a_100000757604_100000210414 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.113 CCC(=O)NC1(CC1)C 240690a_100000757604_100000210414 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.113 CCC(=O)NC1(CC1)C 527a_100000757604_100000210414 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.113 CNC(=O)NC1(CC1)C 2708a_100102657272_100000757604 [0,1,0,0,0,1|2,0,0]=4 359 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100000757604_100102657272 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100102657272_100000757604 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.113 CNC(=O)NC1(CC1)C 512a_100000757604_100102657272 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.128 C#CC1(CC1)NC(=O)C 11a_100020639468_100015343762 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.128 C#CC1(CC1)NC(=O)C 1626a_100020639468_100015343762 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.128 C#CC1(CC1)NC(=O)C 240690a_100020639468_100015343762 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.128 CC(=O)CC1(CC1)C#N 1458a_100000070787_100000695377 [0,1,0,0,0,1|1,0,1]=4 366 B9R1.128 CC(=O)NC1(CC1)C#N 11a_100000756336_100015343762 [0,1,0,0,0,1|1,0,1]=4 367 B9R1.128 CC(=O)NC1(CC1)C#N 1626a_100000756336_100015343762 [0,1,0,0,0,1|1,0,1]=4 368 B9R1.128 CC(=O)NC1(CC1)C#N 240690a_100000756336_100015343762 [0,1,0,0,0,1|1,0,1]=4 369 B9R1.128 CC(=O)NC1(CC1)C#N 527a_100000756336_100103153847 [0,1,0,0,0,1|1,0,1]=4 370 B9R1.128 CC(=O)NC1(CC1)CF 11a_100000054953_100015343762 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.128 CC(=O)NC1(CC1)CF 1626a_100000054953_100015343762 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.128 CC(=O)NC1(CC1)CF 240690a_100000054953_100015343762 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.128 CC(=O)NC1(CC1)CF 527a_100000054953_100103153847 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.128 CC(=O)NC1(CC1)CO 240690a_100000692850_100015343762 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.128 CC(=O)NC1(CC1)CO 527a_100000692850_100103153847 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.128 CCC1(CC1)NC(=O)C 11a_100000732774_100015343762 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.128 CCC1(CC1)NC(=O)C 1626a_100000732774_100015343762 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.128 CCC1(CC1)NC(=O)C 240690a_100000732774_100015343762 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.128 CCC1(CC1)NC(=O)C 527a_100000732774_100103153847 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [0,1,0,0,0,1|1,0,1]=4 381 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,1,0,0,0,1|0,0,0]=2 386 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [0,1,0,0,0,1|1,0,1]=4 387 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,1,0,0,0,1|0,0,0]=2 388 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.186 CC1(COC1)C(=O)CF 1458a_100000094709_100015361967 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.186 CCC(=O)C1(COC1)O 1458a_100010273515_100000210202 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.186 CNC(=O)C1(COC1)C 11a_106832991635_100000094709 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.186 CNC(=O)C1(COC1)C 1626a_100102657272_100000094709 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.186 CNC(=O)C1(COC1)C 527a_100102657272_100000094709 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.186 CNC(=O)C1(COC1)O 240690a_100102657272_100010273515 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.186 O=C(CF)C1(COC1)O 1458a_100010273515_100015361967 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.169 CC(=O)C1(CC1(F)F)C 1458a_100000117325_200000210301 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.169 CC1(CC1(F)F)C(=O)[13CH3] 1458a_100000117325_200025704644 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.74 C#CCC(=O)C1(CC1)C 1458a_100000756474_100000184674 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.74 C#CCC(=O)C1(CC1)F 1458a_100000055089_100000184674 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.74 C#CCC(=O)C1(CC1)O 1458a_100000241761_100000184674 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.74 C=CCC(=O)C1(CC1)C 1458a_100000756474_100000210623 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.74 C=CCC(=O)C1(CC1)F 1458a_100000055089_100000210623 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.74 C=CCC(=O)C1(CC1)O 1458a_100000241761_100000210623 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.74 CC1(CC1)C(=O)CC#N 1458a_100000756474_100011214920 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.74 CC1(CC1)C(=O)CCF 1458a_100000756474_100011217306 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.74 CNNC(=O)C1(CC1)C 22a_100016993582_100000756474 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.74 CNNC(=O)C1(CC1)F 22a_100016993582_100000055089 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.74 CNNC(=O)C1(CC1)O 22a_100016993582_100000241761 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.74 N#CCC(=O)C1(CC1)F 1458a_100000055089_100011214920 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.74 N#CCC(=O)C1(CC1)O 1458a_100000241761_100011214920 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.74 O=C(CCF)C1(CC1)F 1458a_100000055089_100011217306 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.74 O=C(CCF)C1(CC1)O 1458a_100000241761_100011217306 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.74 O=C(CCO)C1(CC1)F 1458a_100000055089_100000211926 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.74 O=C(CCO)C1(CC1)O 1458a_100000241761_100000211926 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.190 C#CC(=O)C1(CC1)C#N 1458a_100000211873_100009889376 [0,2,0,0,0,0|1,0,1]=4 436 B9R1.190 C#CC1(CC1)C(=O)CC 1458a_100000139144_100000210202 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.190 C#CC1(CC1)C(=O)CF 1458a_100000139144_100015361967 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.190 C#CC1(CC1)C(=O)NC 11a_106832991635_100000139144 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.190 C#CC1(CC1)C(=O)NC 1626a_100102657272_100000139144 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.190 C#CC1(CC1)C(=O)NC 240690a_100102657272_100000139144 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.190 C#CC1(CC1)C(=O)NC 527a_100102657272_100000139144 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.190 C=CC(=O)C1(CC1)C#N 1458a_100000185746_100009889376 [0,2,0,0,0,0|1,0,1]=4 443 B9R1.190 CCC(=O)C1(CC1)C#N 1458a_100000210414_100009889376 [0,2,0,0,0,0|1,0,1]=4 444 B9R1.190 CCC(=O)C1(CC1)C#N 1458a_100000691320_100000210202 [0,2,0,0,0,0|1,0,1]=4 445 B9R1.190 CCC(=O)C1(CC1)CO 1458a_100012027107_100000210202 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.190 CCC(=O)C1(CC1)OC 1458a_100000137688_100000210202 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.190 CNC(=O)C1(CC1)C#N 11a_106832991635_100000691320 [0,2,0,0,0,0|1,0,1]=4 448 B9R1.190 CNC(=O)C1(CC1)C#N 1626a_100102657272_100000691320 [0,2,0,0,0,0|1,0,1]=4 449 B9R1.190 CNC(=O)C1(CC1)C#N 240690a_100102657272_100000691320 [0,2,0,0,0,0|1,0,1]=4 450 B9R1.190 CNC(=O)C1(CC1)CO 1626a_100102657272_100012027107 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.190 CNC(=O)C1(CC1)CO 240690a_100102657272_100012027107 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.190 CNC(=O)C1(CC1)OC 11a_106832991635_100000137688 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.190 CNC(=O)C1(CC1)OC 1626a_100102657272_100000137688 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.190 CNC(=O)C1(CC1)OC 240690a_100102657272_100000137688 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.190 CNC(=O)C1(CC1)OC 527a_100102657272_100000137688 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.190 CNC1(CC1)C(=O)OC 34a_100102657272_100000698272 [0,2,0,0,0,0|0,0,0]=2 457 B9R1.190 CNC1(CC1)C(=O)OC 7a_106832991635_100000698272 [0,2,0,0,0,0|0,0,0]=2 458 B9R1.190 COC(=O)C1(CC1)OC 34a_100000719341_200000210301 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.190 COC(=O)C1(CC1)OC 34a_100138415774_100000698272 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.190 COC(=O)C1(CC1)OC 7a_100000719341_200000210301 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.190 COC(=O)C1(CC1)O[13CH3] 34a_100000719341_200025704644 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.190 COC(=O)C1(CC1)O[13CH3] 7a_100000719341_200025704644 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.190 COC(=O)C1(CC1)SC 62a_100000698272_200000210301 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.190 COC(=O)C1(CC1)SC 62a_200000210301_100000698272 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_100000698272_200025704644 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000698272 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.190 COC1(CC1)C(=O)CF 1458a_100000137688_100015361967 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.190 N#CC1(CC1)C(=O)CF 1458a_100000691320_100015361967 [0,2,0,0,0,0|1,0,1]=4 469 B9R1.190 N#CC1(CC1)C(=O)CO 1458a_100000210174_100009889376 [0,2,0,0,0,0|0,0,1]=3 470 B9R1.190 O=C(CF)C1(CC1)CO 1458a_100012027107_100015361967 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.168 CC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000086384 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000070787_100010760883 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000751805_200000210301 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.168 CC(=O)C1(CC1)N(C)C 1458a_200012027079_200000210301 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.168 CC(=O)C1(CC1)N(C)C 269982a_100102631434_100000086384 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.168 CN(C)C1(CC1)C(=O)N 269982a_100102631434_100010760883 [0,2,0,0,0,0|1,0,0]=3 477 B9R1.168 CN(C)C1(CC1)C(=O)[13CH3] 1458a_200012027079_200025704644 [0,2,0,0,0,0|1,0,0]=3 478 B9R1.168 [13CH3]C(=O)C1(CC1)C(=O)N 1458a_100000751805_200025704644 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.179 CC(=O)C1(CC1)SCF 62a_100000086384_100015361967 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.179 CC(=O)C1(CC1)SCF 62a_100015361967_100000086384 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.179 CCNC1(CC1)C(=O)N 2230a_100000687655_100000210202 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,2,0,0,0,0|0,0,0]=2 483 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.179 CCOC1(CC1)C(=O)N 34a_100121572206_100010760883 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000086384_100000210202 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000210202_100000086384 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.179 CCSC1(CC1)C(=O)N 62a_100000210202_100010760883 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.179 CCSC1(CC1)C(=O)N 62a_100010760883_100000210202 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,2,0,0,0,0|0,0,0]=2 491 B9R1.179 COCC1(CC1)C(=O)N 34a_100000117830_200000210301 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.179 COCC1(CC1)C(=O)N 7a_100000117830_200000210301 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.179 NC(=O)C1(CC1)SCF 62a_100010760883_100015361967 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.179 NC(=O)C1(CC1)SCF 62a_100015361967_100010760883 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.179 O=C(O)C1(CC1)NCF 269956a_100000746478_100015361967 [0,2,0,0,0,0|0,0,0]=2 496 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,2,0,0,0,0|0,0,0]=2 497 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 34a_100000117830_200025704644 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 7a_100000117830_200025704644 [0,2,0,0,0,0|2,0,0]=4 499 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,1,1,0,0|2,0,0]=4 500 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,1,1,0,0|2,0,0]=4 501 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,1,1,0,0|2,0,0]=4 502 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,1,1,0,0|2,0,0]=4 503 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,1,1,0,0|2,0,0]=4 504 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,1,0,1|2,0,0]=4 505 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,1,0,1|2,0,0]=4 506 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,1,0,0,1|2,0,0]=4 507 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,1,0,0,1|2,0,0]=4 508 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,1,0,0,1|2,0,0]=4 509 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,1,0,0,1|2,0,0]=4 510 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,1,0,0,1|2,0,0]=4 511 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,1,0,0,1|2,0,0]=4 512 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,1,0,0,1|2,0,0]=4 513 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,1,0,0,1|2,0,0]=4 514 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,1,0,0,1|2,0,0]=4 515 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,1,0,0,1|2,0,0]=4 516 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,1,0,0,1|2,0,0]=4 517 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,1,0,0,1|2,0,0]=4 518 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,1,0,0,1|2,0,0]=4 519 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,1,0,0,1|2,0,0]=4 520 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,0,1,0,0,1|2,0,0]=4 521 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,0,1,0,0,1|2,0,0]=4 522 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,0,1,0,0,1|2,0,0]=4 523 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,0,1,0,0,1|2,0,0]=4 524 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,0,1,0,0,1|2,0,0]=4 525 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,0,1,0,0,1|2,0,0]=4 526 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,0,1,0,0,1|2,0,0]=4 527 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,0,1,0,0,1|2,0,0]=4 528 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,0,0,1|1,0,0]=3 529 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,0,0,1|1,0,0]=3 530 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,0,0,1|2,0,0]=4 531 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,0,0,1|2,0,0]=4 532 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,0,0,1|2,0,0]=4 533 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,0,0,1|1,0,0]=3 534 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,0,0,1|1,0,0]=3 535 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,0,0,1|1,0,0]=3 536 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,0,0,1|1,0,0]=3 537 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,0,0,0,0,2|2,0,0]=4 538 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,0,0,0,0,2|2,0,0]=4 539 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,0,0,0,0,2|2,0,0]=4 540 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,0,0,0,0,2|2,0,0]=4 541 B9R1.147 CC(=O)NCC1(CC1)O 11a_100011936951_100015343762 [0,0,0,0,0,2|2,0,0]=4 542 B9R1.147 CC(=O)NCC1(CC1)O 240690a_100011936951_100015343762 [0,0,0,0,0,2|2,0,0]=4 543 B9R1.147 CC(=O)NCC1(CC1)O 527a_100011936951_100103153847 [0,0,0,0,0,2|2,0,0]=4 544 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,0,0,0,0,2|2,0,0]=4 545 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,0,0,0,0,2|2,0,0]=4 546 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,0,0,2|2,0,0]=4 547 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,0,0,0,0,2|2,0,0]=4 548 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,0,0,0,2|2,0,0]=4 549 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,0,0,0,2|2,0,0]=4 550 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,0,0,0,2|2,0,0]=4 551 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,0,0,0,2|2,0,0]=4 552 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [0,0,0,0,0,2|2,0,0]=4 553 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [0,0,0,0,0,2|2,0,0]=4 554 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [0,0,0,0,0,2|2,0,0]=4 555 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,0,0,2|2,0,0]=4 556 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,0,0,2|2,0,0]=4 557 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,0,0,2|2,0,0]=4 558 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,0,0,2|2,0,0]=4 559 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,0,0,2|2,0,0]=4 560 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,0,0,2|2,0,0]=4