0 B9R0.57 CC(=O)[C@H](C)OS(=O)(=O)C 1458a_200015292407_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.57 C[C@@H](NS(=O)(=O)C)C(=O)N 40a_100000119354_100000738038 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)[13CH3] 1458a_200015292407_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.29 CC(=O)CCS(=O)(=O)N 1458a_100000737202_200000210301 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.29 CC(=O)CCS(=O)(=O)[O-] 1458a_100000070787_100000762736 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.29 CC(=O)CNS(=O)(=O)C 1458a_100000737300_200000210301 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.29 CS(=O)(=O)NCC(=O)[13CH3] 1458a_100000737300_200025704644 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.29 [13CH3]C(=O)CCS(=O)(=O)N 1458a_100000737202_200025704644 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200000210301 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.359 [13CH3]C(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200025704644 [0,0,0,1,0,0|3,0,0]=4 13 B10R0.31 CC(=O)CC(O)CS(=O)(=O)[O-] 1458a_100000070787_100016993520 [0,0,0,0,0,1|2,0,1]=4 14 B10R0.31 CN(CC(=O)O)CS(=O)(=O)N 269956a_100000746989_100000741382 [0,0,0,0,0,1|3,0,0]=4 15 B10R0.31 CN(CC(=O)O)CS(=O)(=O)[O-] 269956a_100000746989_100009817235 [0,0,0,0,0,1|2,0,1]=4 16 B10R0.92 CC(=O)C(C)OCS(=O)(=O)[O-] 34a_100000212229_100009817235 [0,0,0,0,0,1|2,0,1]=4 17 B10R0.92 CC(=O)C(C)SCS(=O)(=O)N 62a_100000741382_100009814033 [0,0,0,0,0,1|3,0,0]=4 18 B10R0.92 CC(=O)C(C)SCS(=O)(=O)N 62a_100009814033_100000741382 [0,0,0,0,0,1|3,0,0]=4 19 B10R0.92 CC(=O)C(C)SCS(=O)(=O)[O-] 62a_100009814033_100009817235 [0,0,0,0,0,1|2,0,1]=4 20 B10R0.92 CC(=O)C(C)SCS(=O)(=O)[O-] 62a_100009817235_100009814033 [0,0,0,0,0,1|2,0,1]=4 21 B10R0.92 CC(SCS(=O)(=O)N)C(=O)N 62a_100000702099_100000741382 [0,0,0,0,0,1|3,0,0]=4 22 B10R0.92 CC(SCS(=O)(=O)N)C(=O)N 62a_100000741382_100000702099 [0,0,0,0,0,1|3,0,0]=4 23 B10R0.92 CC(SCS(=O)(=O)[O-])C(=O)N 62a_100000702099_100009817235 [0,0,0,0,0,1|2,0,1]=4 24 B10R0.92 CC(SCS(=O)(=O)[O-])C(=O)N 62a_100009817235_100000702099 [0,0,0,0,0,1|2,0,1]=4 25 B10R0.92 C[C@@H](NCS(=O)(=O)[O-])C(=O)N 34a_100000119354_100009817235 [0,0,0,0,0,1|2,0,1]=4 26 B10R0.92 C[C@@H](OCS(=O)(=O)[O-])C(=O)N 34a_100000731257_100009817235 [0,0,0,0,0,1|2,0,1]=4 27 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,0,0,0,0,1|2,0,0]=3 28 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,0,0,0,0,1|1,0,1]=3 29 B10R0.92 NC(=O)C(F)SCS(=O)(=O)N 62a_100000741382_100009813875 [0,0,0,0,0,1|3,0,0]=4 30 B10R0.92 NC(=O)C(F)SCS(=O)(=O)N 62a_100009813875_100000741382 [0,0,0,0,0,1|3,0,0]=4 31 B10R0.92 NC(=O)C(F)SCS(=O)(=O)[O-] 62a_100009813875_100009817235 [0,0,0,0,0,1|2,0,1]=4 32 B10R0.92 NC(=O)C(F)SCS(=O)(=O)[O-] 62a_100009817235_100009813875 [0,0,0,0,0,1|2,0,1]=4 33 B10R0.92 NS(=O)(=O)CSC(F)C(=O)[O-] 62a_100000741382_100020610796 [0,0,0,0,0,1|2,0,1]=4 34 B10R0.92 NS(=O)(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000741382 [0,0,0,0,0,1|2,0,1]=4 35 B10R0.92 O=C([O-])C(F)SCS(=O)(=O)[O-] 62a_100009817235_100020610796 [0,0,0,0,0,1|1,0,2]=4 36 B10R0.92 O=C([O-])C(F)SCS(=O)(=O)[O-] 62a_100020610796_100009817235 [0,0,0,0,0,1|1,0,2]=4 37 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.21 C#CC(=O)CCS(=O)(=O)C 1458a_100000211873_100000731031 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.21 C#CC(=O)CCS(=O)(=O)[O-] 1458a_100000211873_100000762736 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.21 C=CC(=O)CCS(=O)(=O)C 1458a_100000185746_100000731031 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.21 C=CC(=O)CCS(=O)(=O)[O-] 1458a_100000185746_100000762736 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.21 CCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210202 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.21 CCC(=O)CCS(=O)(=O)[O-] 1458a_100000210414_100000762736 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.21 CNC(=O)CCS(=O)(=O)N 240690a_100102657272_100000737202 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.21 CS(=O)(=O)CCC(=O)CF 1458a_100000737124_100015361967 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.21 NS(=O)(=O)CCC(=O)CF 1458a_100000737202_100015361967 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.21 O=C(CO)CCS(=O)(=O)[O-] 1458a_100000210174_100000762736 [1,1,0,0,0,0|0,0,1]=3 56 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [1,1,0,0,0,0|2,0,0]=4 57 B11R0.119 O=C(CO)CC(O)CS(=O)(=O)[O-] 1458a_100000210174_100016993520 [0,1,0,0,0,1|1,0,1]=4 58 B11R0.290 COC(=O)C(C)OCS(=O)(=O)[O-] 34a_100011215400_100009817235 [0,1,0,0,0,1|1,0,1]=4 59 B11R0.290 COC(=O)C(C)SCS(=O)(=O)N 62a_100000211248_100000741382 [0,1,0,0,0,1|2,0,0]=4 60 B11R0.290 COC(=O)C(C)SCS(=O)(=O)N 62a_100000741382_100000211248 [0,1,0,0,0,1|2,0,0]=4 61 B11R0.290 COC(=O)C(C)SCS(=O)(=O)[O-] 62a_100000211248_100009817235 [0,1,0,0,0,1|1,0,1]=4 62 B11R0.290 COC(=O)C(C)SCS(=O)(=O)[O-] 62a_100009817235_100000211248 [0,1,0,0,0,1|1,0,1]=4 63 B11R0.313 C=C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100016992060_100000741382 [0,1,0,0,0,1|2,0,0]=4 64 B11R0.313 C=C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100016992060_100009817235 [0,1,0,0,0,1|1,0,1]=4 65 B11R0.313 CC[C@@H](NCS(=O)(=O)N)C(=O)O 269956a_100000747097_100000741382 [0,1,0,0,0,1|2,0,0]=4 66 B11R0.313 CC[C@@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000747097_100009817235 [0,1,0,0,0,1|1,0,1]=4 67 B11R0.313 NS(=O)(=O)CNC(CO)C(=O)O 269956a_100000187304_100000741382 [0,1,0,0,0,1|2,0,0]=4 68 B11R0.313 O=C(O)C(CO)NCS(=O)(=O)[O-] 269956a_100000187304_100009817235 [0,1,0,0,0,1|1,0,1]=4 69 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [1,0,0,0,0,1|2,0,0]=4 70 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [1,0,0,0,0,1|2,0,0]=4 71 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [1,0,0,0,0,1|2,0,0]=4 72 B9R0.56 CC(=O)CCCS(=O)(=O)[O-] 1458a_100000070787_100009813499 [1,0,0,0,0,1|1,0,1]=4 73 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000070787_100000754112 [1,0,0,0,0,1|2,0,0]=4 74 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000165793_200000210301 [1,0,0,0,0,1|2,0,0]=4 75 B9R0.56 CC(=O)CCOS(=O)(=O)C 1458a_100000070787_200000036756 [1,0,0,0,0,1|2,0,0]=4 76 B9R0.56 CC(=O)COCS(=O)(=O)[O-] 34a_100000211253_100009817235 [1,0,0,0,0,1|1,0,1]=4 77 B9R0.56 CC(=O)NCCS(=O)(=O)C 11a_100000740961_100015343762 [1,0,0,0,0,1|2,0,0]=4 78 B9R0.56 CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100015343762 [1,0,0,0,0,1|2,0,0]=4 79 B9R0.56 CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100015343762 [1,0,0,0,0,1|2,0,0]=4 80 B9R0.56 CC(=O)NCCS(=O)(=O)C 527a_100000740961_100103153847 [1,0,0,0,0,1|2,0,0]=4 81 B9R0.56 CC(=O)NCCS(=O)(=O)N 240690a_100000738205_100015343762 [1,0,0,0,0,1|2,0,0]=4 82 B9R0.56 CC(=O)NCCS(=O)(=O)N 527a_100000738205_100103153847 [1,0,0,0,0,1|2,0,0]=4 83 B9R0.56 CS(=O)(=O)NCCC(=O)N 40a_100000740010_100000738038 [1,0,0,0,0,1|2,0,0]=4 84 B9R0.56 CS(=O)(=O)NCCC(=O)[13CH3] 1458a_100000165793_200025704644 [1,0,0,0,0,1|2,0,0]=4 85 B9R0.56 NC(=O)CSCS(=O)(=O)N 62a_100000741382_100000747473 [1,0,0,0,0,1|2,0,0]=4 86 B9R0.56 NC(=O)CSCS(=O)(=O)N 62a_100000747473_100000741382 [1,0,0,0,0,1|2,0,0]=4 87 B9R0.56 NC(=O)CSCS(=O)(=O)[O-] 62a_100000747473_100009817235 [1,0,0,0,0,1|1,0,1]=4 88 B9R0.56 NC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000747473 [1,0,0,0,0,1|1,0,1]=4 89 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [1,0,0,0,0,1|1,0,0]=3 90 B9R0.56 NS(=O)(=O)CSCC(=O)[O-] 62a_100000741382_100020667443 [1,0,0,0,0,1|1,0,1]=4 91 B9R0.56 NS(=O)(=O)CSCC(=O)[O-] 62a_100020667443_100000741382 [1,0,0,0,0,1|1,0,1]=4 92 B9R0.56 O=C(O)CNCS(=O)(=O)[O-] 269956a_100016091260_100009817235 [1,0,0,0,0,1|0,0,1]=3 93 B9R0.56 O=C([O-])CSCS(=O)(=O)[O-] 62a_100009817235_100020667443 [1,0,0,0,0,1|0,0,2]=4 94 B9R0.56 O=C([O-])CSCS(=O)(=O)[O-] 62a_100020667443_100009817235 [1,0,0,0,0,1|0,0,2]=4 95 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [1,0,0,0,0,1|2,0,0]=4 96 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,0,0,0,0,2|2,0,0]=4 97 B11R0.318 CC(CNCS(=O)(=O)[O-])C(=O)O 269956a_100000749485_100009817235 [0,0,0,0,0,2|1,0,1]=4 98 B11R0.318 C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000731031 [0,0,0,0,0,2|2,0,0]=4 99 B11R0.318 C[C@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100000762736 [0,0,0,0,0,2|1,0,1]=4 100 B11R0.318 NC(=O)[C@@H](N)COCS(=O)(=O)[O-] 34a_100000729942_100009817235 [0,0,0,0,0,2|1,0,1]=4 101 B11R0.318 NS(=O)(=O)CNCC(F)C(=O)O 269956a_100000084737_100000741382 [0,0,0,0,0,2|2,0,0]=4 102 B11R0.318 O=C(O)C(F)CNCS(=O)(=O)[O-] 269956a_100000084737_100009817235 [0,0,0,0,0,2|1,0,1]=4