0 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|2,0,0]=3 2 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,1,0,0,0,0|1,0,2]=4 4 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,1,0,0,0,0|0,0,3]=4 5 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [0,1,0,0,0,0|2,0,1]=4 6 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,1,0,0,0,0|0,0,3]=4 7 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,1,0,0,0,0|1,0,2]=4 8 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,1,0,0,0,0|0,0,3]=4 10 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,1,0,0,0,0|0,0,3]=4 11 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,1,0,0,0,0|0,0,3]=4 14 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,1,0,0,0,0|0,0,3]=4 15 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|2,0,0]=4 26 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|2,0,0]=4 27 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,1,0,0,0,0|2,0,0]=4 29 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,1,0,0,0,0|2,0,0]=4 30 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,1,0,0,0,0|2,0,0]=4 31 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|2,0,0]=4 32 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.8 C=CCNS(=O)(=O)C 40a_100020586998_100000738038 [0,2,0,0,0,0|1,0,0]=3 45 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.9 CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,2,0,0,0,0|0,0,2]=4 48 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.11 C=CCS(=O)(=O)NC 270084a_100102657272_100000751117 [0,2,0,0,0,0|1,0,0]=3 51 B7R0.11 C=CCS(=O)(=O)NC 274078a_100102657272_100000751117 [0,2,0,0,0,0|1,0,0]=3