0 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,1,0]=4 2 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,1,0,0,0,0|1,0,1]=3 9 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [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|2,0,0]=3 21 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,1,0,0,0,0|1,1,0]=3 24 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,1,0,0,0,0|1,1,0]=3 25 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|2,0,0]=4 26 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|2,0,0]=4 29 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|2,0,0]=4 30 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,1,0]=4 31 B7R0.8 C#CCNS(=O)(=O)C 40a_100000212058_100000738038 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.8 C=CCNS(=O)(=O)C 40a_100020586998_100000738038 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,2,0,0,0,0|2,0,0]=4 34 B7R0.8 CCNNS(=O)(=O)C 40a_100000756455_100000738038 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.8 CCOCS(=O)(=O)[O-] 34a_100121572206_100009817235 [0,2,0,0,0,0|1,0,1]=4 36 B7R0.8 CCSCS(=O)(=O)N 62a_100000210202_100000741382 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.8 CCSCS(=O)(=O)N 62a_100000741382_100000210202 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100000210202_100009817235 [0,2,0,0,0,0|1,0,1]=4 39 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100009817235_100000210202 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.8 CNCCS(=O)(=O)N 2230a_100000738205_200000210301 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.8 CNCCS(=O)(=O)N 34a_100000738205_200000210301 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.8 CNCCS(=O)(=O)[O-] 2230a_106832991635_100000737633 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.8 CNCCS(=O)(=O)[O-] 34a_100102657272_100000762736 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.8 COCCS(=O)(=O)N 34a_100012334274_200000210301 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.8 COCCS(=O)(=O)[O-] 34a_100138415774_100000762736 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.8 CS(=O)(=O)NCCF 40a_100000724931_100000738038 [0,2,0,0,0,0|1,1,0]=4 61 B7R0.8 CS(=O)(=O)NCCO 40a_100000210304_100000738038 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.8 CSCCS(=O)(=O)[O-] 62a_100000762736_200000210301 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.8 CSCCS(=O)(=O)[O-] 62a_200000210301_100000762736 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.8 NS(=O)(=O)CSCF 62a_100000741382_100015361967 [0,2,0,0,0,0|1,1,0]=4 67 B7R0.8 NS(=O)(=O)CSCF 62a_100015361967_100000741382 [0,2,0,0,0,0|1,1,0]=4 68 B7R0.8 O=S(=O)([O-])CSCF 62a_100009817235_100015361967 [0,2,0,0,0,0|0,1,1]=4 69 B7R0.8 O=S(=O)([O-])CSCF 62a_100015361967_100009817235 [0,2,0,0,0,0|0,1,1]=4 70 B7R0.8 [13CH3]NCCS(=O)(=O)N 2230a_100000738205_200025704644 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.8 [13CH3]NCCS(=O)(=O)N 34a_100000738205_200025704644 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.8 [13CH3]OCCS(=O)(=O)N 34a_100012334274_200025704644 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_100000762736_200025704644 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_200025704644_100000762736 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.9 CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.11 C=CCS(=O)(=O)NC 270084a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.11 C=CCS(=O)(=O)NC 274078a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.11 CCNS(=O)(=O)CCl 270084a_100015525214_100000031410 [0,2,0,0,0,0|1,1,0]=4 88 B7R0.11 CCNS(=O)(=O)CCl 274078a_100015525214_100000031410 [0,2,0,0,0,0|1,1,0]=4 89 B7R0.11 CCS(=O)(=O)NNC 40a_100016993582_100000053943 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.11 CNS(=O)(=O)CCBr 270084a_100102657272_100000731045 [0,2,0,0,0,0|1,1,0]=4 91 B7R0.11 CNS(=O)(=O)CCBr 274078a_100102657272_100000731045 [0,2,0,0,0,0|1,1,0]=4 92 B7R0.11 CNS(=O)(=O)CCCl 270084a_100102657272_100000184613 [0,2,0,0,0,0|1,1,0]=4 93 B7R0.11 CNS(=O)(=O)CCCl 274078a_100102657272_100000184613 [0,2,0,0,0,0|1,1,0]=4 94 B7R0.14 CCN(C)S(=O)(=O)C 40a_100000225621_100000738038 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.13 CCS(=O)(=O)N(C)C 270084a_100102631434_100000211323 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.13 CCS(=O)(=O)N(C)C 274078a_100102631434_100000211323 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.13 CCS(=O)(=O)N(C)C 40a_100102631434_100000053943 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.13 CN(C)S(=O)(=O)CCl 270084a_100102631434_100000031410 [0,2,0,0,0,0|1,1,0]=4 99 B7R0.13 CN(C)S(=O)(=O)CCl 274078a_100102631434_100000031410 [0,2,0,0,0,0|1,1,0]=4 100 B7R0.13 CNS(=O)(=O)C(C)C 270084a_100102657272_100000742656 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.13 CNS(=O)(=O)C(C)C 274078a_100102657272_100000742656 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.13 CNS(=O)(=O)C(Cl)Cl 270084a_100102657272_100000034607 [0,2,0,0,0,0|1,1,0]=4 103 B7R0.13 CNS(=O)(=O)C(F)F 270084a_100102657272_100000737280 [0,2,0,0,0,0|1,1,0]=4 104 B7R0.13 CNS(=O)(=O)C(F)F 274078a_100102657272_100000737280 [0,2,0,0,0,0|1,1,0]=4