0 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 11a_100000750128_100015343762 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 1626a_100000750128_100015343762 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 240690a_100000750128_100015343762 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 527a_100000750128_100103153847 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.56 CC(=O)CCCS(=O)(=O)[O-] 1458a_100000070787_100009813499 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000070787_100000754112 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000165793_200000210301 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.56 CC(=O)CCOS(=O)(=O)C 1458a_100000070787_200000036756 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.56 CC(=O)NCCS(=O)(=O)C 11a_100000740961_100015343762 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.56 CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100015343762 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.56 CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100015343762 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.56 CC(=O)NCCS(=O)(=O)C 527a_100000740961_100103153847 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.56 CS(=O)(=O)NCCC(=O)N 40a_100000740010_100000738038 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.56 CS(=O)(=O)NCCC(=O)[13CH3] 1458a_100000165793_200025704644 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.56 O=C(O)CNCS(=O)(=O)[O-] 269956a_100016091260_100009817235 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [1,0,0,0,0,0|2,0,1]=4 22 B11R0.290 CN(CCS(=O)(=O)C)C(=O)CO 240690a_100000750128_100000210174 [0,1,0,0,0,0|3,0,0]=4 23 B11R0.290 CN(CCS(=O)(=O)C)C(=O)CO 527a_100000750128_100000210174 [0,1,0,0,0,0|3,0,0]=4 24 B11R0.313 CC(C)(C)CC[C@H](N[13CH3])C(=O)O 269956a_200014094532_200025704644 [0,1,0,0,0,0|3,0,0]=4 25 B11R0.313 CN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_200000210301 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200000210301 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.727 [13CH3]C(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200025704644 [0,0,0,1,0,0|3,0,0]=4 28 B11R0.318 CC(=O)C(C)NCCS(=O)(=O)C 2230a_100000740961_100009814033 [0,0,0,0,0,1|3,0,0]=4 29 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)C 34a_100000212229_100000731031 [0,0,0,0,0,1|3,0,0]=4 30 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)C 7a_100000211924_100000179758 [0,0,0,0,0,1|3,0,0]=4 31 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)C 62a_100000731031_100009814033 [0,0,0,0,0,1|3,0,0]=4 32 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)C 62a_100009814033_100000230027 [0,0,0,0,0,1|3,0,0]=4 33 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,0,0,0,0,1|2,0,1]=4 34 B11R0.318 CC(CNCS(=O)(=O)[O-])C(=O)O 269956a_100000749485_100009817235 [0,0,0,0,0,1|3,0,0]=4 35 B11R0.318 CC(NCCS(=O)(=O)C)C(=O)N 2230a_100000740961_100000702099 [0,0,0,0,0,1|3,0,0]=4 36 B11R0.318 CC(NCCS(=O)(=O)C)C(=O)N 34a_100000740961_100000702099 [0,0,0,0,0,1|3,0,0]=4 37 B11R0.318 CC(OCCS(=O)(=O)C)C(=O)N 34a_100000211924_100000702099 [0,0,0,0,0,1|3,0,0]=4 38 B11R0.318 CC(OCCS(=O)(=O)C)C(=O)N 7a_100000211924_100000702099 [0,0,0,0,0,1|3,0,0]=4 39 B11R0.318 CC(SCCS(=O)(=O)C)C(=O)N 62a_100000702099_100000230027 [0,0,0,0,0,1|3,0,0]=4 40 B11R0.318 CC(SCCS(=O)(=O)C)C(=O)N 62a_100000731031_100000702099 [0,0,0,0,0,1|3,0,0]=4 41 B11R0.318 CS(=O)(=O)CCNC(F)C(=O)N 2230a_100000740961_100009813875 [0,0,0,0,0,1|3,0,0]=4 42 B11R0.318 CS(=O)(=O)CCNC(F)C(=O)N 34a_100000740961_100009813875 [0,0,0,0,0,1|3,0,0]=4 43 B11R0.318 CS(=O)(=O)CCNC(F)C(=O)[O-] 34a_100000740961_100020610796 [0,0,0,0,0,1|2,0,1]=4 44 B11R0.318 CS(=O)(=O)CCOC(F)C(=O)N 34a_100000211924_100009813875 [0,0,0,0,0,1|3,0,0]=4 45 B11R0.318 CS(=O)(=O)CCOC(F)C(=O)N 7a_100000211924_100009813875 [0,0,0,0,0,1|3,0,0]=4 46 B11R0.318 CS(=O)(=O)CCOC(F)C(=O)[O-] 34a_100000211924_100020610796 [0,0,0,0,0,1|2,0,1]=4 47 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)N 62a_100000731031_100009813875 [0,0,0,0,0,1|3,0,0]=4 48 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)N 62a_100009813875_100000230027 [0,0,0,0,0,1|3,0,0]=4 49 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)[O-] 62a_100000731031_100020610796 [0,0,0,0,0,1|2,0,1]=4 50 B11R0.318 CS(=O)(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000230027 [0,0,0,0,0,1|2,0,1]=4 51 B11R0.318 C[C@@H](NCCS(=O)(=O)C)C(=O)N 2230a_100000119354_100000731031 [0,0,0,0,0,1|3,0,0]=4 52 B11R0.318 C[C@@H](NCCS(=O)(=O)C)C(=O)N 34a_100000119354_100000731031 [0,0,0,0,0,1|3,0,0]=4 53 B11R0.318 C[C@@H](OCCS(=O)(=O)C)C(=O)N 34a_100000731257_100000731031 [0,0,0,0,0,1|3,0,0]=4 54 B11R0.318 C[C@@H](OCCS(=O)(=O)C)C(=O)N 7a_100000731257_100000230027 [0,0,0,0,0,1|3,0,0]=4 55 B11R0.318 C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000731031 [0,0,0,0,0,1|2,0,0]=3 56 B11R0.318 C[C@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100000762736 [0,0,0,0,0,1|3,0,0]=4 57 B11R0.318 C[C@H](OCCS(=O)(=O)C)C(=O)[O-] 7a_217856618621_100000230027 [0,0,0,0,0,1|2,0,1]=4 58 B11R0.318 NC(=O)[C@@H](N)COCS(=O)(=O)[O-] 34a_100000729942_100009817235 [0,0,0,0,0,1|3,0,0]=4 59 B11R0.318 NS(=O)(=O)CNCC(F)C(=O)O 269956a_100000084737_100000741382 [0,0,0,0,0,1|2,0,1]=4 60 B11R0.318 O=C(O)C(F)CNCS(=O)(=O)[O-] 269956a_100000084737_100009817235 [0,0,0,0,0,1|3,0,0]=4 61 B11R0.337 CN(CCS(=O)(=O)C)CC(=O)O 269956a_100000746989_100000731031 [0,0,0,0,0,1|3,0,0]=4 62 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [1,1,0,0,0,0|0,0,1]=3 69 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [1,1,0,0,0,0|0,0,1]=3 70 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.60 C#CC(=O)CCCS(=O)(=O)C 1458a_100000211873_100000754308 [1,1,0,0,0,0|2,0,0]=4 72 B10R0.60 C=CC(=O)CCCS(=O)(=O)C 1458a_100000185746_100000754308 [1,1,0,0,0,0|2,0,0]=4 73 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [1,1,0,0,0,0|2,0,0]=4 74 B10R0.60 CS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000754308 [1,1,0,0,0,0|1,0,0]=3 75 B10R0.60 CS(=O)(=O)CCNC(=O)CO 240690a_100000740961_100000210174 [1,1,0,0,0,0|2,0,0]=4 76 B10R0.60 CS(=O)(=O)CCNC(=O)CO 527a_100000740961_100000210174 [1,1,0,0,0,0|2,0,0]=4 77 B10R0.60 CS(=O)(=O)NCCC(=O)CO 1458a_100000210174_100000754112 [1,1,0,0,0,0|2,0,0]=4 78 B10R0.60 CS(=O)(=O)OCCC(=O)CO 1458a_100000210174_200000036756 [1,1,0,0,0,0|2,0,0]=4 79 B10R0.60 NS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000750626 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.60 O=C(CO)CCCS(=O)(=O)[O-] 1458a_100000210174_100009813499 [1,1,0,0,0,0|2,0,0]=4 81 B12R0.90 COC(=O)C(C)NCCS(=O)(=O)C 2230a_100000740961_100000211248 [0,1,0,0,0,1|2,0,0]=4 82 B12R0.90 COC(=O)C(C)NCCS(=O)(=O)C 34a_100000740961_100000211248 [0,1,0,0,0,1|2,0,0]=4 83 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)C 34a_100000211924_100000211248 [0,1,0,0,0,1|2,0,0]=4 84 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)C 34a_100011215400_100000731031 [0,1,0,0,0,1|2,0,0]=4 85 B12R0.90 COC(=O)C(C)OCCS(=O)(=O)C 7a_100000211924_100000211248 [0,1,0,0,0,1|2,0,0]=4 86 B12R0.90 COC(=O)C(C)SCCS(=O)(=O)C 62a_100000211248_100000230027 [0,1,0,0,0,1|2,0,0]=4 87 B12R0.90 COC(=O)C(C)SCCS(=O)(=O)C 62a_100000731031_100000211248 [0,1,0,0,0,1|2,0,0]=4 88 B12R0.90 COC(=O)[C@H](N)COCS(=O)(=O)[O-] 34a_100000003586_100009817235 [0,1,0,0,0,1|2,0,0]=4 89 B12R0.209 CCS(=O)(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000756660 [0,1,0,0,0,1|2,0,0]=4 90 B12R0.586 C=C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100016992060_100000731031 [0,1,0,0,0,1|2,0,0]=4 91 B12R0.586 CC[C@@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000747097_100000731031 [0,1,0,0,0,1|2,0,0]=4 92 B12R0.586 CS(=O)(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000731031 [0,1,0,0,0,1|2,0,0]=4 93 B12R0.947 CC(C(=O)O)N(C)CCS(=O)(=O)C 269956a_100000749554_100000731031 [0,1,0,0,0,1|2,0,0]=4 94 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [1,0,0,0,0,1|2,0,0]=4 95 B10R0.15 CC(=O)COCCS(=O)(=O)C 34a_100000211253_100000731031 [1,0,0,0,0,1|2,0,0]=4 96 B10R0.15 CC(=O)NCCCS(=O)(=O)C 11a_100000742409_100015343762 [1,0,0,0,0,1|2,0,0]=4 97 B10R0.15 CC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100015343762 [1,0,0,0,0,1|2,0,0]=4 98 B10R0.15 CC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100015343762 [1,0,0,0,0,1|2,0,0]=4 99 B10R0.15 CC(=O)NCCCS(=O)(=O)C 527a_100000742409_100103153847 [1,0,0,0,0,1|2,0,0]=4 100 B10R0.15 CS(=O)(=O)CCNCC(=O)N 2230a_100000711301_100000731031 [1,0,0,0,0,1|2,0,0]=4 101 B10R0.15 CS(=O)(=O)CCNCC(=O)N 2230a_100000740961_100000747473 [1,0,0,0,0,1|2,0,0]=4 102 B10R0.15 CS(=O)(=O)CCNCC(=O)N 34a_100000740961_100000187820 [1,0,0,0,0,1|2,0,0]=4 103 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [1,0,0,0,0,1|1,0,0]=3 104 B10R0.15 CS(=O)(=O)CCNCC(=O)[O-] 34a_100000740961_100020667443 [1,0,0,0,0,1|1,0,1]=4 105 B10R0.15 CS(=O)(=O)CCOCC(=O)N 34a_100000211924_100000187820 [1,0,0,0,0,1|2,0,0]=4 106 B10R0.15 CS(=O)(=O)CCOCC(=O)N 7a_100000211924_100000187820 [1,0,0,0,0,1|2,0,0]=4 107 B10R0.15 CS(=O)(=O)CCOCC(=O)[O-] 34a_100000211924_100020667443 [1,0,0,0,0,1|1,0,1]=4 108 B10R0.15 CS(=O)(=O)CCSCC(=O)N 62a_100000731031_100000747473 [1,0,0,0,0,1|2,0,0]=4 109 B10R0.15 CS(=O)(=O)CCSCC(=O)N 62a_100000747473_100000230027 [1,0,0,0,0,1|2,0,0]=4 110 B10R0.15 CS(=O)(=O)CCSCC(=O)[O-] 62a_100000731031_100020667443 [1,0,0,0,0,1|1,0,1]=4 111 B10R0.15 CS(=O)(=O)CCSCC(=O)[O-] 62a_100020667443_100000230027 [1,0,0,0,0,1|1,0,1]=4 112 B10R0.15 CS(=O)(=O)NCCCC(=O)N 40a_100000739312_100000738038 [1,0,0,0,0,1|2,0,0]=4 113 B10R0.15 O=C(O)CNCCS(=O)(=O)[O-] 269956a_100016091260_100000762736 [1,0,0,0,0,1|2,0,0]=4 114 B12R0.264 CC(CNCCS(=O)(=O)C)C(=O)O 269956a_100000749485_100000731031 [0,0,0,0,0,2|2,0,0]=4 115 B12R0.264 CS(=O)(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000731031 [0,0,0,0,0,2|2,0,0]=4 116 B12R0.264 CS(=O)(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731031 [0,0,0,0,0,2|2,0,0]=4 117 B12R0.264 C[C@H](NCCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000754308 [0,0,0,0,0,2|2,0,0]=4 118 B12R0.264 C[C@H](NCCNS(=O)(=O)C)C(=O)O 269956a_100000743915_100000754112 [0,0,0,0,0,2|2,0,0]=4 119 B12R0.264 C[C@H](NCCOS(=O)(=O)C)C(=O)O 269956a_100000743915_200000036756 [0,0,0,0,0,2|2,0,0]=4