0 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,0,0|1,0,3]=4 17 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|0,0,2]=3 76 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,0,1|2,0,0]=3 77 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,0,1|2,0,0]=3 78 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,0,1|2,0,1]=4 79 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,0,1|2,0,1]=4 80 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,0,1|2,0,1]=4 81 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,0,1|2,0,1]=4 82 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,0,1|2,0,1]=4 83 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,0,1|2,0,1]=4 84 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,0,1|3,0,0]=4 85 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,0,1|2,0,0]=3 86 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,0,1|2,0,0]=3 87 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,0,1|1,0,2]=4 88 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,0,1|2,0,1]=4 89 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,0,1|2,0,1]=4 90 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,0,0,0,1|3,0,0]=4 91 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,0,1|2,0,0]=3 92 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|1,0,1]=4 93 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|0,0,1]=3 113 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|0,0,1]=3 121 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|1,0,0]=3 123 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|1,0,0]=3 125 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,2]=4 128 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,1,0,0,0,1|2,0,0]=4 132 B7R0.2 C#CC(=O)CC(=C)F 1458a_100000211873_100009893438 [0,1,0,0,0,1|2,0,0]=4 133 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [0,1,0,0,0,1|2,0,0]=4 134 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,1,0,0,0,1|1,0,1]=4 135 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,1|2,0,0]=4 136 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,1|1,0,0]=3 137 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,1|2,0,0]=4 138 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,1,0,0,0,1|1,0,0]=3 139 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,0,0,0,1|2,0,0]=4 140 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [0,1,0,0,0,1|2,0,0]=4 141 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,1,0,0,0,1|2,0,0]=4 142 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,1,0,0,0,1|1,0,1]=4 143 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,1|2,0,0]=4 144 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,1|2,0,0]=4 145 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,1|2,0,0]=4 146 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,1|2,0,0]=4 147 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,1|2,0,0]=4 148 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,1|1,0,1]=4 149 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,1|1,0,1]=4 150 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,1|1,0,1]=4 151 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,1|2,0,0]=4 152 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,1|1,0,0]=3 153 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,1|2,0,0]=4 154 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,1|2,0,0]=4 155 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,1|2,0,0]=4 156 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|0,0,2]=4 170 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|0,0,2]=4 176 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,2,0,0,0,0|2,0,0]=4 189 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,2,0,0,0,0|2,0,0]=4 191 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 196 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|0,0,1]=3 200 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|0,0,1]=3 201 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|0,0,2]=4 204 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|0,0,2]=4 205 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,0,0,1,0,1|2,0,0]=4 206 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,0,0,1,0,1|1,0,1]=4 207 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,1,0,1|2,0,0]=4 208 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,0,0,1,0,1|2,0,0]=4 209 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,1,0,1|1,1,0]=4 210 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,0,0,1,0,1|1,1,0]=4 211 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,0,0,1,0,1|1,0,1]=4 212 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,0,0,1,0,1|1,0,1]=4 213 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,0,0,1,0,1|2,0,0]=4 214 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,0,0,1,0,1|0,1,0]=3 215 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,0,0,1,0,1|2,0,0]=4 216 B7R1.2 Nc1nc(n[nH]1)O 271570a_203496583355_100015184587 [0,0,0,1,0,1|2,0,0]=4 217 B7R1.2 Nc1nnc(s1)O 271570a_203496583355_100000738278 [0,0,0,1,0,1|2,0,0]=4 218 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [0,0,0,1,0,1|2,0,0]=4 219 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,0,0,1,0,1|1,1,0]=4 220 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,1,0,1,0,0|1,0,1]=4 221 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|1,1,0]=4 223 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,1,0,0|1,1,0]=4 224 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,1,0,1,0,0|1,1,0]=4 226 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,1,0,1,0,0|1,0,1]=4 232 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,1,0,1,0,0|1,1,0]=4 236 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,1,0,1,0,0|1,1,0]=4 238 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,2|2,0,0]=4 239 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,2|2,0,0]=4 240 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,2|2,0,0]=4 241 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,2|2,0,0]=4 242 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,2|2,0,0]=4 243 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,2|2,0,0]=4 244 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,2|2,0,0]=4 245 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,2|2,0,0]=4 246 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,2|2,0,0]=4 247 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,2|2,0,0]=4 248 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,2|2,0,0]=4 249 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,2|2,0,0]=4 250 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,2|2,0,0]=4 251 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,2|2,0,0]=4