0 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200000210301 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100015343762 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100015343762 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100015343762 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100103153847 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.727 CC(C)N1CCS(=O)(=O)CC1 2230a_100000750940_100000210206 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.727 CC(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100000210206 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.727 CC(C)N1CCS(=O)(=O)CC1 34a_100000750940_100000210206 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.727 CN(C)C1CCS(=O)(=O)CC1 2230a_100000765069_200000210301 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.727 CN(C)C1CCS(=O)(=O)CC1 269982a_100000765069_200000210301 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.727 CN(C)C1CCS(=O)(=O)CC1 270004a_100102631434_100000015219 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.727 CN(C)C1CCS(=O)(=O)CC1 34a_100000765069_200000210301 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.727 CN([13CH3])C1CCS(=O)(=O)CC1 2230a_100000765069_200025704644 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.727 CN([13CH3])C1CCS(=O)(=O)CC1 269982a_100000765069_200025704644 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.727 CN([13CH3])C1CCS(=O)(=O)CC1 34a_100000765069_200025704644 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.727 [13CH3]C(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200025704644 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 CC(C)N1CCS(=O)CC1 2230a_100000752083_100000210206 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.13 CC(C)N1CCS(=O)CC1 269982a_100000752083_100000210206 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.26 CCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210202 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.26 CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000204670 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.26 CCN1CCS(=O)(=O)CC1 34a_100000750940_100000210202 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.26 CNC1CCS(=O)(=O)CC1 2230a_100000739226_200000210301 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.26 CNC1CCS(=O)(=O)CC1 270004a_106832991635_100000015219 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.26 CNC1CCS(=O)(=O)CC1 34a_100000739226_200000210301 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.26 COC1CCS(=O)(=O)CC1 34a_100011349575_200000210301 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.26 COC1CCS(=O)(=O)CC1 7a_100011349575_200000210301 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.26 O=S1(=O)CCN(CC1)CF 269982a_100000750940_100015361967 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.26 O=S1(=O)CCN(CC1)CF 34a_100000750940_100015361967 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 2230a_100000739226_200025704644 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 34a_100000739226_200025704644 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.26 [13CH3]OC1CCS(=O)(=O)CC1 34a_100011349575_200025704644 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.26 [13CH3]OC1CCS(=O)(=O)CC1 7a_100011349575_200025704644 [1,0,0,0,0,0|1,0,1]=3 34 B12R1.976 CC(C)(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100000210625 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.976 CC(C)(C)N1CCS(=O)(=O)CC1 34a_100000750940_100000210625 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.976 CS(=O)(=O)N1CCS(=O)(=O)CC1 40a_100000750940_100000738038 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.1704 C#CC(C)N1CCS(=O)(=O)CC1 34a_100000750940_200000035995 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.1704 C=CC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000185746 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.1704 C=CC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_200121576911 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.1704 C=CC(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100011215867 [0,1,0,0,0,0|1,0,2]=4 41 B12R1.1704 CC(C#N)N1CCS(=O)(=O)CC1 2230a_100000750940_100000184139 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.1704 CC(C#N)N1CCS(=O)(=O)CC1 269982a_100000750940_100000703298 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.1704 CC(CO)N1CCS(=O)(=O)CC1 2230a_100000750940_100012180447 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.1704 CC(CO)N1CCS(=O)(=O)CC1 34a_100000750940_100012180447 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.1704 CCC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_100000210202 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.1704 CCC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000210414 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.1704 CCC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000210414 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.1704 CCC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100000210414 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.1704 CCC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100000210414 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.1704 CCC(C)N1CCS(=O)(=O)CC1 2230a_100000750940_100000758301 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.1704 CCC(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100000758301 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.1704 CCC(C)N1CCS(=O)(=O)CC1 34a_100000750940_100011215416 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.1704 CCN(C)C1CCS(=O)(=O)CC1 2230a_100000765069_100000210202 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.1704 CCN(C)C1CCS(=O)(=O)CC1 269982a_100000765069_100000204670 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.1704 CCN(C)C1CCS(=O)(=O)CC1 34a_100000765069_100000210202 [0,1,0,0,0,0|1,0,1]=3 56 B12R1.1704 CN(CF)C1CCS(=O)(=O)CC1 269982a_100000765069_100015361967 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.1704 CN(CF)C1CCS(=O)(=O)CC1 34a_100000765069_100015361967 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 11a_106832991635_100000755231 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 1626a_100102657272_100000755231 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 240690a_100102657272_100000755231 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.1704 CNC(=O)C1CCS(=O)(=O)CC1 527a_100102657272_100000755231 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.1704 CNC(=O)N1CCS(=O)(=O)CC1 2708a_100102657272_100000750940 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.1704 CNC(=O)N1CCS(=O)(=O)CC1 273464a_100102657272_100000750940 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.1704 COC(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100009879195 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.1704 C[C@H](CO)N1CCS(=O)(=O)CC1 269982a_100000750940_100016084084 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.1704 O=C(CF)C1CCS(=O)(=O)CC1 1458a_100000755231_100015361967 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.1704 O=C(CO)N1CCS(=O)(=O)CC1 240690a_100000750940_100000210174 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.1704 O=C(CO)N1CCS(=O)(=O)CC1 527a_100000750940_100000210174 [0,1,0,0,0,0|2,0,0]=3 69 B10R0.65 CC(=CCNS(=O)(=O)CCl)C 270084a_100000718196_100000031410 [0,0,1,0,0,0|2,0,0]=3 70 B10R0.65 CC(=CCNS(=O)(=O)CCl)C 274078a_100000718196_100000031410 [0,0,1,0,0,0|2,0,0]=3 71 B10R0.65 CCS(=O)(=O)CCNC(=O)C 11a_100000751051_100015343762 [0,0,1,0,0,0|2,0,0]=3 72 B10R0.65 CCS(=O)(=O)CCNC(=O)C 1626a_100000751051_100015343762 [0,0,1,0,0,0|2,0,0]=3 73 B10R0.65 CCS(=O)(=O)CCNC(=O)C 240690a_100000751051_100015343762 [0,0,1,0,0,0|2,0,0]=3 74 B10R0.65 CCS(=O)(=O)CCNC(=O)C 527a_100000751051_100103153847 [0,0,1,0,0,0|2,0,0]=3 75 B10R0.65 CCS(=O)(=O)CCNC(C)C 2230a_100000751051_100000210206 [0,0,1,0,0,0|1,0,1]=3 76 B10R0.65 CCS(=O)(=O)CCNC(C)C 2230a_100138425928_100000756660 [0,0,1,0,0,0|1,0,1]=3 77 B10R0.65 CCS(=O)(=O)CCNC(C)C 34a_100000751051_100000210206 [0,0,1,0,0,0|1,0,1]=3 78 B10R0.65 CCS(=O)(=O)CCNC(C)C 34a_100138425928_100000756660 [0,0,1,0,0,0|1,0,1]=3 79 B10R0.65 CCS(=O)(=O)CCOC(C)C 34a_100000212225_100000756660 [0,0,1,0,0,0|1,0,1]=3 80 B10R0.65 CCS(=O)(=O)CCOC(C)C 34a_200011216379_100000210206 [0,0,1,0,0,0|1,0,1]=3 81 B10R0.65 CCS(=O)(=O)CCOC(C)C 7a_200011216379_100000210206 [0,0,1,0,0,0|1,0,1]=3 82 B10R0.65 CCS(=O)(=O)CCSC(C)C 62a_100000210206_100000756660 [0,0,1,0,0,0|1,0,1]=3 83 B10R0.65 CCS(=O)(=O)CCSC(C)C 62a_100000756660_100000210206 [0,0,1,0,0,0|1,0,1]=3 84 B10R0.65 CCS(=O)(=O)NCC=C(C)C 270084a_100000718196_100000211323 [0,0,1,0,0,0|1,0,0]=2 85 B10R0.65 CCS(=O)(=O)NCC=C(C)C 274078a_100000718196_100000211323 [0,0,1,0,0,0|1,0,0]=2 86 B10R0.65 CCS(=O)(=O)NCC=C(C)C 40a_100000718196_100000053943 [0,0,1,0,0,0|1,0,0]=2 87 B10R0.65 CCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211323 [0,0,1,0,0,0|1,0,2]=4 88 B10R0.65 CCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211323 [0,0,1,0,0,0|1,0,2]=4 89 B10R0.65 CCS(=O)(=O)NCCC(C)C 40a_100000210545_100000053943 [0,0,1,0,0,0|1,0,2]=4 90 B10R0.65 CCS(=O)(=O)NCCN(C)C 270084a_100000210585_100000211323 [0,0,1,0,0,0|2,0,1]=4 91 B10R0.65 CCS(=O)(=O)NCCN(C)C 274078a_100000210585_100000211323 [0,0,1,0,0,0|2,0,1]=4 92 B10R0.65 CCS(=O)(=O)NCCN(C)C 40a_100000210585_100000053943 [0,0,1,0,0,0|2,0,1]=4 93 B10R0.65 CNS(=O)(=O)CCNC(=O)C 11a_100000710037_100015343762 [0,0,1,0,0,0|3,0,0]=4 94 B10R0.65 CNS(=O)(=O)CCNC(=O)C 240690a_100000710037_100015343762 [0,0,1,0,0,0|3,0,0]=4 95 B10R0.65 CNS(=O)(=O)CCNC(=O)C 527a_100000710037_100103153847 [0,0,1,0,0,0|3,0,0]=4 96 B10R0.65 CNS(=O)(=O)CCNC(C)C 2230a_100000710037_100000210206 [0,0,1,0,0,0|2,0,1]=4 97 B10R0.65 CNS(=O)(=O)CCNC(C)C 34a_100000710037_100000210206 [0,0,1,0,0,0|2,0,1]=4 98 B10R0.65 CNS(=O)(=O)CCOC(=O)C 270084a_100102657272_200000119425 [0,0,1,0,0,0|3,0,0]=4 99 B10R0.65 CNS(=O)(=O)CCOC(=O)C 274078a_100102657272_200000119425 [0,0,1,0,0,0|3,0,0]=4 100 B10R0.92 C=C(C)C(=O)CCS(=O)(=O)C 1458a_100000185857_100000731031 [0,0,1,0,0,0|1,0,1]=3 101 B10R0.92 C=C(C)C(=O)CCS(=O)(=O)[O-] 1458a_100000185857_100000762736 [0,0,1,0,0,0|2,0,1]=4 102 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 11a_100000750128_100015343762 [0,0,1,0,0,0|2,0,0]=3 103 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 1626a_100000750128_100015343762 [0,0,1,0,0,0|2,0,0]=3 104 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 240690a_100000750128_100015343762 [0,0,1,0,0,0|2,0,0]=3 105 B10R0.92 CC(=O)N(C)CCS(=O)(=O)C 527a_100000750128_100103153847 [0,0,1,0,0,0|2,0,0]=3 106 B10R0.92 CC(C)C(=O)CCS(=O)(=O)C 1458a_100000210198_100000731031 [0,0,1,0,0,0|1,0,1]=3 107 B10R0.92 CC(C)C(=O)CCS(=O)(=O)C 1458a_100000737124_100000210206 [0,0,1,0,0,0|1,0,1]=3 108 B10R0.92 CC(C)C(=O)CCS(=O)(=O)N 1458a_100000737202_100000210206 [0,0,1,0,0,0|2,0,1]=4 109 B10R0.92 CC(C)C(=O)CCS(=O)(=O)[O-] 1458a_100000210198_100000762736 [0,0,1,0,0,0|2,0,1]=4 110 B10R0.92 CC(C)C(=O)CNS(=O)(=O)C 1458a_100000737300_100000210206 [0,0,1,0,0,0|2,0,1]=4 111 B10R0.92 CC(C)N(C)CCS(=O)(=O)C 2230a_100000750128_100000210206 [0,0,1,0,0,0|1,0,1]=3 112 B10R0.92 CC(C)N(C)CCS(=O)(=O)C 269982a_100000750128_100000210206 [0,0,1,0,0,0|1,0,1]=3 113 B10R0.92 CC(C)N(C)CCS(=O)(=O)C 269982a_200000211004_100000731031 [0,0,1,0,0,0|1,0,1]=3 114 B10R0.92 CC(C)N(C)CCS(=O)(=O)C 34a_100000750128_100000210206 [0,0,1,0,0,0|1,0,1]=3 115 B10R0.92 CC(F)C(=O)CCS(=O)(=O)C 1458a_100000062450_100000731031 [0,0,1,0,0,0|2,0,1]=4 116 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 11a_100102631434_100000737124 [0,0,1,0,0,0|2,0,0]=3 117 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 1626a_100102631434_100000737124 [0,0,1,0,0,0|2,0,0]=3 118 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 240690a_100102631434_100000737124 [0,0,1,0,0,0|2,0,0]=3 119 B10R0.92 CN(C)C(=O)CCS(=O)(=O)C 527a_100102631434_100000737124 [0,0,1,0,0,0|2,0,0]=3 120 B10R0.92 CN(C)C(=O)CCS(=O)(=O)N 240690a_100102631434_100000737202 [0,0,1,0,0,0|3,0,0]=4 121 B10R0.92 CN(C)C(=O)CNS(=O)(=O)C 11a_100102631434_100000737300 [0,0,1,0,0,0|3,0,0]=4 122 B10R0.92 CN(C)C(=O)CNS(=O)(=O)C 1626a_100102631434_100000737300 [0,0,1,0,0,0|3,0,0]=4 123 B10R0.92 CN(C)C(=O)CNS(=O)(=O)C 240690a_100102631434_100000737300 [0,0,1,0,0,0|3,0,0]=4 124 B10R0.92 CN(C)C(=O)CNS(=O)(=O)C 40a_100015183351_100000738038 [0,0,1,0,0,0|3,0,0]=4 125 B10R0.92 C[C@@H](O)C(=O)CCS(=O)(=O)C 1458a_100000717761_100000731031 [0,0,1,0,0,0|2,0,1]=4 126 B10R0.92 C[C@H](O)C(=O)CCS(=O)(=O)C 1458a_217856618621_100000731031 [0,0,1,0,0,0|2,0,1]=4 127 B12R2.5369 O=S1(=O)CCN(CC1)C2CC2 269982a_100000750940_100000211595 [0,0,0,1,0,0|1,0,1]=3 128 B12R2.5369 O=S1(=O)CCN(CC1)C2CC2 34a_100000750940_100000211595 [0,0,0,1,0,0|1,0,1]=3 129 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200000210301 [0,0,0,0,1,0|1,0,1]=3 130 B10R1.359 CN(C)C1CCS(=O)(=O)C1 2230a_100000184735_200000210301 [0,0,0,0,1,0|1,0,1]=3 131 B10R1.359 CN(C)C1CCS(=O)(=O)C1 269982a_100000184735_200000210301 [0,0,0,0,1,0|1,0,1]=3 132 B10R1.359 CN(C)C1CCS(=O)(=O)C1 34a_100000184735_200000210301 [0,0,0,0,1,0|1,0,1]=3 133 B10R1.359 CN([13CH3])C1CCS(=O)(=O)C1 2230a_100000184735_200025704644 [0,0,0,0,1,0|1,0,1]=3 134 B10R1.359 CN([13CH3])C1CCS(=O)(=O)C1 269982a_100000184735_200025704644 [0,0,0,0,1,0|1,0,1]=3 135 B10R1.359 CN([13CH3])C1CCS(=O)(=O)C1 34a_100000184735_200025704644 [0,0,0,0,1,0|1,0,1]=3 136 B10R1.359 [13CH3]C(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200025704644 [0,0,0,0,1,0|1,0,1]=3 137 B12R1.1819 C=C(C)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000748629 [0,0,0,0,0,1|1,0,1]=3 138 B12R1.1819 C=C(C)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000748629 [0,0,0,0,0,1|1,0,1]=3 139 B12R1.1819 C=C(C)CN1CCS(=O)(=O)CC1 34a_100000750940_100000748629 [0,0,0,0,0,1|1,0,1]=3 140 B12R1.1819 C=C(F)CN1CCS(=O)(=O)CC1 2230a_100000750940_100009893438 [0,0,0,0,0,1|2,0,1]=4 141 B12R1.1819 C=C(F)CN1CCS(=O)(=O)CC1 269982a_100000750940_100009893438 [0,0,0,0,0,1|2,0,1]=4 142 B12R1.1819 C=C(F)CN1CCS(=O)(=O)CC1 34a_100000750940_100009893438 [0,0,0,0,0,1|2,0,1]=4 143 B12R1.1819 CC(=O)CN1CCS(=O)(=O)CC1 1458a_100000739238_200000210301 [0,0,0,0,0,1|2,0,0]=3 144 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 11a_100000739226_100015343762 [0,0,0,0,0,1|1,0,1]=3 145 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 1626a_100000739226_100015343762 [0,0,0,0,0,1|1,0,1]=3 146 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 240690a_100000739226_100015343762 [0,0,0,0,0,1|1,0,1]=3 147 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 527a_100000739226_100103153847 [0,0,0,0,0,1|1,0,1]=3 148 B12R1.1819 CC(C)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000210760 [0,0,0,0,0,1|1,0,1]=3 149 B12R1.1819 CC(C)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000210624 [0,0,0,0,0,1|1,0,1]=3 150 B12R1.1819 CC(C)CN1CCS(=O)(=O)CC1 270004a_100000750940_100000210432 [0,0,0,0,0,1|1,0,1]=3 151 B12R1.1819 CC(C)CN1CCS(=O)(=O)CC1 34a_100000750940_100000210624 [0,0,0,0,0,1|1,0,1]=3 152 B12R1.1819 CC(C)NC1CCS(=O)(=O)CC1 2230a_100000739226_100000210206 [0,0,0,0,0,1|0,0,2]=3 153 B12R1.1819 CC(C)NC1CCS(=O)(=O)CC1 34a_100000739226_100000210206 [0,0,0,0,0,1|0,0,2]=3 154 B12R1.1819 CC(C)OC1CCS(=O)(=O)CC1 34a_100011349575_100000210206 [0,0,0,0,0,1|0,0,2]=3 155 B12R1.1819 CC(C)OC1CCS(=O)(=O)CC1 7a_100011349575_100000210206 [0,0,0,0,0,1|0,0,2]=3 156 B12R1.1819 CC(O)CN1CCS(=O)(=O)CC1 2230a_100000750940_100011218427 [0,0,0,0,0,1|2,0,1]=4 157 B12R1.1819 CC(O)CN1CCS(=O)(=O)CC1 269982a_100000750940_100011218427 [0,0,0,0,0,1|2,0,1]=4 158 B12R1.1819 CC(O)CN1CCS(=O)(=O)CC1 34a_100000750940_100011218427 [0,0,0,0,0,1|2,0,1]=4 159 B12R1.1819 CN(C)CC1CCS(=O)(=O)CC1 270004a_100102631434_200011794348 [0,0,0,0,0,1|1,0,1]=3 160 B12R1.1819 C[C@@H](O)CN1CCS(=O)(=O)CC1 2230a_100000750940_100009817552 [0,0,0,0,0,1|2,0,1]=4 161 B12R1.1819 C[C@@H](O)CN1CCS(=O)(=O)CC1 269982a_100000750940_100009817552 [0,0,0,0,0,1|2,0,1]=4 162 B12R1.1819 C[C@@H](O)CN1CCS(=O)(=O)CC1 34a_100000750940_100009817552 [0,0,0,0,0,1|2,0,1]=4 163 B12R1.1819 NC(=O)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000747473 [0,0,0,0,0,1|3,0,0]=4 164 B12R1.1819 NC(=O)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000187820 [0,0,0,0,0,1|3,0,0]=4 165 B12R1.1819 NC(=O)CN1CCS(=O)(=O)CC1 34a_100000750940_100000187820 [0,0,0,0,0,1|3,0,0]=4 166 B12R1.1819 O=C([O-])CN1CCS(=O)(=O)CC1 269982a_100000750940_100020667443 [0,0,0,0,0,1|3,0,0]=4 167 B12R1.1819 O=C([O-])CN1CCS(=O)(=O)CC1 34a_100000750940_100020667443 [0,0,0,0,0,1|3,0,0]=4 168 B12R1.1819 [13CH3]C(=O)CN1CCS(=O)(=O)CC1 1458a_100000739238_200025704644 [0,0,0,0,0,1|2,0,0]=3 169 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [1,0,1,0,0,0|2,0,0]=4 170 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,0,1,0,0,0|1,0,0]=3 171 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [1,0,1,0,0,0|2,0,0]=4 172 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [1,0,1,0,0,0|2,0,0]=4 173 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [1,0,1,0,0,0|2,0,0]=4 174 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [1,0,1,0,0,0|2,0,0]=4 175 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [1,0,1,0,0,0|2,0,0]=4 176 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [1,0,1,0,0,0|1,0,1]=4 177 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [1,0,1,0,0,0|1,0,1]=4 178 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [1,0,1,0,0,0|1,0,1]=4 179 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [1,0,1,0,0,0|1,0,1]=4 180 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [1,0,1,0,0,0|1,0,1]=4 181 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [1,0,1,0,0,0|1,0,1]=4 182 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [1,0,1,0,0,0|1,0,1]=4 183 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [1,0,1,0,0,0|1,0,1]=4 184 B9R0.56 CC(=CCNS(=O)(=O)C)C 40a_100000718196_100000738038 [1,0,1,0,0,0|1,0,0]=3 185 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [1,0,1,0,0,0|1,0,1]=4 186 B9R0.56 CC(=O)NCCS(=O)(=O)C 11a_100000740961_100015343762 [1,0,1,0,0,0|2,0,0]=4 187 B9R0.56 CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100015343762 [1,0,1,0,0,0|2,0,0]=4 188 B9R0.56 CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100015343762 [1,0,1,0,0,0|2,0,0]=4 189 B9R0.56 CC(=O)NCCS(=O)(=O)C 527a_100000740961_100103153847 [1,0,1,0,0,0|2,0,0]=4 190 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100000740961_100000210206 [1,0,1,0,0,0|1,0,1]=4 191 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100138425928_100000731031 [1,0,1,0,0,0|1,0,1]=4 192 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100000740961_100000210206 [1,0,1,0,0,0|1,0,1]=4 193 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100138425928_100000731031 [1,0,1,0,0,0|1,0,1]=4 194 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000211924_100000210206 [1,0,1,0,0,0|1,0,1]=4 195 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000212225_100000731031 [1,0,1,0,0,0|1,0,1]=4 196 B9R0.56 CC(C)OCCS(=O)(=O)C 7a_100000211924_100000210206 [1,0,1,0,0,0|1,0,1]=4 197 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000210206_100000230027 [1,0,1,0,0,0|1,0,1]=4 198 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000731031_100000210206 [1,0,1,0,0,0|1,0,1]=4 199 B9R0.56 CN(C)CCCS(=O)(=O)C 2230a_100102631434_100000754308 [1,0,1,0,0,0|1,0,1]=4 200 B9R0.56 CN(C)CCCS(=O)(=O)C 269982a_100102631434_100000754308 [1,0,1,0,0,0|1,0,1]=4 201 B9R0.21 C=CC(=O)CCS(=O)(=O)C 1458a_100000185746_100000731031 [1,0,1,0,0,0|1,0,1]=4 202 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [1,0,1,0,0,0|1,0,1]=4 203 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [1,0,1,0,0,0|1,0,1]=4 204 B9R0.21 CCN(C)CCS(=O)(=O)C 2230a_100000225621_100000731031 [1,0,1,0,0,0|1,0,1]=4 205 B9R0.21 CCN(C)CCS(=O)(=O)C 2230a_100000750128_100000210202 [1,0,1,0,0,0|1,0,1]=4 206 B9R0.21 CCN(C)CCS(=O)(=O)C 269982a_100000225621_100000731031 [1,0,1,0,0,0|1,0,1]=4 207 B9R0.21 CCN(C)CCS(=O)(=O)C 269982a_100000750128_100000204670 [1,0,1,0,0,0|1,0,1]=4 208 B9R0.21 CCN(C)CCS(=O)(=O)C 34a_100000750128_100000210202 [1,0,1,0,0,0|1,0,1]=4 209 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [1,0,1,0,0,0|2,0,0]=4 210 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [1,0,1,0,0,0|2,0,0]=4 211 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [1,0,1,0,0,0|2,0,0]=4 212 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [1,0,1,0,0,0|2,0,0]=4 213 B9R1.10 CN1CCS(=O)(=O)CC1 2230a_100000750940_200000210301 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.10 CN1CCS(=O)(=O)CC1 269982a_100000750940_200000210301 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.10 CN1CCS(=O)(=O)CC1 34a_100000750940_200000210301 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 2230a_100000750940_200025704644 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 269982a_100000750940_200025704644 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 34a_100000750940_200025704644 [2,0,0,0,0,0|1,0,0]=3 219 B11R0.104 C=CCS(=O)(=O)NCC=C(C)C 270084a_100000718196_100000751117 [0,1,1,0,0,0|1,0,1]=4 220 B11R0.104 C=CCS(=O)(=O)NCC=C(C)C 274078a_100000718196_100000751117 [0,1,1,0,0,0|1,0,1]=4 221 B11R0.104 CC(=CCNS(=O)(=O)CCBr)C 270084a_100000718196_100000731045 [0,1,1,0,0,0|1,0,0]=3 222 B11R0.104 CC(=CCNS(=O)(=O)CCBr)C 274078a_100000718196_100000731045 [0,1,1,0,0,0|1,0,0]=3 223 B11R0.104 CC(=CCNS(=O)(=O)CCCl)C 270084a_100000718196_100000184613 [0,1,1,0,0,0|1,0,0]=3 224 B11R0.104 CC(=CCNS(=O)(=O)CCCl)C 274078a_100000718196_100000184613 [0,1,1,0,0,0|1,0,0]=3 225 B11R0.104 CCCS(=O)(=O)NCC=C(C)C 270084a_100000718196_100000211391 [0,1,1,0,0,0|1,0,0]=3 226 B11R0.104 CCCS(=O)(=O)NCC=C(C)C 274078a_100000718196_100000211391 [0,1,1,0,0,0|1,0,0]=3 227 B11R0.104 CCCS(=O)(=O)NCC=C(C)C 40a_100000718196_100000054278 [0,1,1,0,0,0|1,0,0]=3 228 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 270084a_100015525214_200000119425 [0,1,1,0,0,0|2,0,0]=4 229 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 274078a_100015525214_200000119425 [0,1,1,0,0,0|2,0,0]=4 230 B11R0.131 CCS(=O)(=O)CCNC(C)(C)C 2230a_100000715429_100000756660 [0,1,1,0,0,0|1,0,1]=4 231 B11R0.131 CCS(=O)(=O)CCNC(C)(C)C 34a_100000751051_100000210625 [0,1,1,0,0,0|1,0,1]=4 232 B11R0.131 CCS(=O)(=O)CCOC(C)(C)C 34a_100015890283_100000756660 [0,1,1,0,0,0|1,0,1]=4 233 B11R0.131 CCS(=O)(=O)CCOC(C)(C)C 34a_200011216379_100000210625 [0,1,1,0,0,0|1,0,1]=4 234 B11R0.131 CCS(=O)(=O)CCOC(C)(C)C 7a_100015890283_100000756660 [0,1,1,0,0,0|1,0,1]=4 235 B11R0.131 CCS(=O)(=O)CCSC(C)(C)C 62a_100000211941_100000756660 [0,1,1,0,0,0|1,0,1]=4 236 B11R0.131 CCS(=O)(=O)CCSC(C)(C)C 62a_100000756660_100000211941 [0,1,1,0,0,0|1,0,1]=4 237 B11R0.202 CC(=CCNS(=O)(=O)C(C)C)C 270084a_100000718196_100000742656 [0,1,1,0,0,0|1,0,0]=3 238 B11R0.202 CC(=CCNS(=O)(=O)C(C)C)C 274078a_100000718196_100000742656 [0,1,1,0,0,0|1,0,0]=3 239 B11R0.202 CC(=CCNS(=O)(=O)C(Cl)Cl)C 270084a_100000718196_100000034607 [0,1,1,0,0,0|2,0,0]=4 240 B11R0.202 CC(=CCNS(=O)(=O)C(F)F)C 270084a_100000718196_100000737280 [0,1,1,0,0,0|2,0,0]=4 241 B11R0.202 CC(=CCNS(=O)(=O)C(F)F)C 274078a_100000718196_100000737280 [0,1,1,0,0,0|2,0,0]=4 242 B11R0.202 CC(=O)NCCS(=O)(=O)C(C)C 11a_100000732177_100015343762 [0,1,1,0,0,0|2,0,0]=4 243 B11R0.202 CC(=O)NCCS(=O)(=O)C(C)C 1626a_100000732177_100015343762 [0,1,1,0,0,0|2,0,0]=4 244 B11R0.202 CC(=O)NCCS(=O)(=O)C(C)C 240690a_100000732177_100015343762 [0,1,1,0,0,0|2,0,0]=4 245 B11R0.202 CC(=O)NCCS(=O)(=O)C(C)C 527a_100000732177_100103153847 [0,1,1,0,0,0|2,0,0]=4 246 B11R0.202 CC(C)NCCS(=O)(=O)C(C)C 2230a_100000732177_100000210206 [0,1,1,0,0,0|1,0,1]=4 247 B11R0.202 CC(C)NCCS(=O)(=O)C(C)C 34a_100000732177_100000210206 [0,1,1,0,0,0|1,0,1]=4 248 B11R0.300 CCS(=O)(=O)NC(=O)C=C(C)C 2740a_100000171174_100000211388 [0,1,1,0,0,0|1,0,1]=4 249 B11R0.302 C=C(C)C(=O)CCS(=O)(=O)CC 1458a_100000185857_100000756660 [0,1,1,0,0,0|0,0,1]=3 250 B11R0.302 CCS(=O)(=O)CCC(=O)C(C)C 1458a_100000210198_100000756660 [0,1,1,0,0,0|0,0,1]=3 251 B11R0.302 CCS(=O)(=O)CCC(=O)C(C)F 1458a_100000062450_100000756660 [0,1,1,0,0,0|1,0,1]=4 252 B11R0.302 CCS(=O)(=O)CCC(=O)[C@@H](C)O 1458a_100000717761_100000756660 [0,1,1,0,0,0|1,0,1]=4 253 B11R0.302 CCS(=O)(=O)CCC(=O)[C@H](C)O 1458a_217856618621_100000756660 [0,1,1,0,0,0|1,0,1]=4 254 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 11a_100000694288_100015343762 [0,1,1,0,0,0|2,0,0]=4 255 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 1626a_100000694288_100015343762 [0,1,1,0,0,0|2,0,0]=4 256 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 240690a_100000694288_100015343762 [0,1,1,0,0,0|2,0,0]=4 257 B11R0.302 CCS(=O)(=O)CCN(C)C(=O)C 527a_100000694288_100103153847 [0,1,1,0,0,0|2,0,0]=4 258 B11R0.302 CCS(=O)(=O)CCN(C)C(C)C 2230a_100000694288_100000210206 [0,1,1,0,0,0|1,0,1]=4 259 B11R0.302 CCS(=O)(=O)CCN(C)C(C)C 269982a_100000694288_100000210206 [0,1,1,0,0,0|1,0,1]=4 260 B11R0.302 CCS(=O)(=O)CCN(C)C(C)C 269982a_200000211004_100000756660 [0,1,1,0,0,0|1,0,1]=4 261 B11R0.302 CCS(=O)(=O)CCN(C)C(C)C 34a_100000694288_100000210206 [0,1,1,0,0,0|1,0,1]=4 262 B11R0.302 CCS(=O)(=O)NCC(=O)N(C)C 270084a_100015183351_100000211323 [0,1,1,0,0,0|2,0,0]=4 263 B11R0.302 CCS(=O)(=O)NCC(=O)N(C)C 274078a_100015183351_100000211323 [0,1,1,0,0,0|2,0,0]=4 264 B11R0.302 CCS(=O)(=O)NCC(=O)N(C)C 40a_100015183351_100000053943 [0,1,1,0,0,0|2,0,0]=4 265 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 11a_100000751051_100000210414 [0,1,1,0,0,0|2,0,0]=4 266 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 1626a_100000751051_100000210414 [0,1,1,0,0,0|2,0,0]=4 267 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 240690a_100000751051_100000210414 [0,1,1,0,0,0|2,0,0]=4 268 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 527a_100000751051_100000210414 [0,1,1,0,0,0|2,0,0]=4 269 B11R0.320 CCC(C)NCCS(=O)(=O)CC 2230a_100000209981_100000756660 [0,1,1,0,0,0|1,0,1]=4 270 B11R0.320 CCC(C)NCCS(=O)(=O)CC 2230a_100000751051_100000758301 [0,1,1,0,0,0|1,0,1]=4 271 B11R0.320 CCC(C)NCCS(=O)(=O)CC 34a_100000751051_100011215416 [0,1,1,0,0,0|1,0,1]=4 272 B11R0.320 CCC(C)OCCS(=O)(=O)CC 34a_200011216379_100011215416 [0,1,1,0,0,0|1,0,1]=4 273 B11R0.320 CCC(C)OCCS(=O)(=O)CC 7a_100000210228_100000756660 [0,1,1,0,0,0|1,0,1]=4 274 B11R0.320 CCC(C)OCCS(=O)(=O)CC 7a_200011216379_100000758301 [0,1,1,0,0,0|1,0,1]=4 275 B11R0.320 CCC(C)SCCS(=O)(=O)CC 62a_100000756660_100000758301 [0,1,1,0,0,0|1,0,1]=4 276 B11R0.320 CCC(C)SCCS(=O)(=O)CC 62a_100000758301_100000756660 [0,1,1,0,0,0|1,0,1]=4 277 B11R0.320 CCS(=O)(=O)CCNC(=O)CO 240690a_100000751051_100000210174 [0,1,1,0,0,0|2,0,0]=4 278 B11R0.320 CCS(=O)(=O)CCNC(=O)CO 527a_100000751051_100000210174 [0,1,1,0,0,0|2,0,0]=4 279 B11R0.320 CCS(=O)(=O)CCNC(=O)NC 2708a_100000751051_106832991635 [0,1,1,0,0,0|2,0,0]=4 280 B11R0.320 CCS(=O)(=O)CCNC(=O)NC 2708a_100102657272_100000751051 [0,1,1,0,0,0|2,0,0]=4 281 B11R0.320 CCS(=O)(=O)CCNC(=O)NC 273464a_100000751051_100102657272 [0,1,1,0,0,0|2,0,0]=4 282 B11R0.320 CCS(=O)(=O)CCNC(=O)NC 273464a_100102657272_100000751051 [0,1,1,0,0,0|2,0,0]=4 283 B11R0.320 CCS(=O)(=O)CCNC(=O)NC 512a_100000751051_100102657272 [0,1,1,0,0,0|2,0,0]=4 284 B11R0.320 CCS(=O)(=O)CCNC(=O)NC 512a_106832991638_100000751051 [0,1,1,0,0,0|2,0,0]=4 285 B11R0.320 CCS(=O)(=O)CCNC(C)CO 2230a_100000751051_100012180447 [0,1,1,0,0,0|1,0,1]=4 286 B11R0.320 CCS(=O)(=O)CCNC(C)CO 34a_100000751051_100012180447 [0,1,1,0,0,0|1,0,1]=4 287 B11R0.320 CCS(=O)(=O)CCN[C@H](C)CO 2230a_100000737577_100000756660 [0,1,1,0,0,0|1,0,1]=4 288 B11R0.320 CCS(=O)(=O)CCOC(C)CF 34a_100016041109_100000756660 [0,1,1,0,0,0|1,0,1]=4 289 B11R0.320 CCS(=O)(=O)CCOC(C)CF 7a_100016041109_100000756660 [0,1,1,0,0,0|1,0,1]=4 290 B11R0.320 CCS(=O)(=O)CCOC(C)CN 34a_100000210904_100000756660 [0,1,1,0,0,0|1,0,1]=4 291 B11R0.320 CCS(=O)(=O)CCOC(C)CO 34a_200011216379_100012180447 [0,1,1,0,0,0|1,0,1]=4 292 B11R0.320 CCS(=O)(=O)CCOC(C)CO 7a_200011216379_100012180447 [0,1,1,0,0,0|1,0,1]=4 293 B11R0.320 CCS(=O)(=O)CCSC(C)CO 62a_100012180447_100000756660 [0,1,1,0,0,0|1,0,1]=4 294 B11R0.320 CCS(=O)(=O)CCSC(C)OC 62a_100000756660_100009879195 [0,1,1,0,0,0|1,0,1]=4 295 B11R0.320 CCS(=O)(=O)CCSC(C)OC 62a_100009879195_100000756660 [0,1,1,0,0,0|1,0,1]=4 296 B11R0.320 CCS(=O)(=O)CCS[C@H](C)CO 62a_100000756660_100016084084 [0,1,1,0,0,0|1,0,1]=4 297 B11R0.320 CCS(=O)(=O)CCS[C@H](C)CO 62a_100016084084_100000756660 [0,1,1,0,0,0|1,0,1]=4 298 B11R0.313 CCN(CCS(=O)(=O)C)C(C)C 2230a_100000223864_100000731031 [0,1,1,0,0,0|1,0,1]=4 299 B11R0.313 CCN(CCS(=O)(=O)C)C(C)C 269982a_100000223864_100000731031 [0,1,1,0,0,0|1,0,1]=4 300 B11R0.313 CCN(CCS(=O)(=O)[O-])C(C)C 2230a_100000223864_100000737633 [0,1,1,0,0,0|1,0,1]=4 301 B11R0.290 C/C=C(\C)/C(=O)CCS(=O)(=O)C 1458a_100020587367_100000731031 [0,1,1,0,0,0|1,0,0]=3 302 B11R0.290 C/C=C(\C)/C(=O)CCS(=O)(=O)[O-] 1458a_100020587367_100000762736 [0,1,1,0,0,0|2,0,0]=4 303 B11R0.290 CC(CO)N(C)CCS(=O)(=O)C 2230a_100000693034_100000731031 [0,1,1,0,0,0|1,0,1]=4 304 B11R0.290 CC(CO)N(C)CCS(=O)(=O)C 2230a_100000750128_100012180447 [0,1,1,0,0,0|1,0,1]=4 305 B11R0.290 CC(CO)N(C)CCS(=O)(=O)C 269982a_100000693034_100000731031 [0,1,1,0,0,0|1,0,1]=4 306 B11R0.290 CC(CO)N(C)CCS(=O)(=O)C 34a_100000750128_100012180447 [0,1,1,0,0,0|1,0,1]=4 307 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 11a_100000750128_100000210414 [0,1,1,0,0,0|2,0,0]=4 308 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 1626a_100000750128_100000210414 [0,1,1,0,0,0|2,0,0]=4 309 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 240690a_100000750128_100000210414 [0,1,1,0,0,0|2,0,0]=4 310 B11R0.290 CCC(=O)N(C)CCS(=O)(=O)C 527a_100000750128_100000210414 [0,1,1,0,0,0|2,0,0]=4 311 B11R0.290 CCC(C)C(=O)CCS(=O)(=O)C 1458a_100000737124_100000758301 [0,1,1,0,0,0|1,0,1]=4 312 B11R0.290 CCC(C)C(=O)CCS(=O)(=O)C 1458a_100011192722_100000731031 [0,1,1,0,0,0|1,0,1]=4 313 B11R0.290 CCC(C)N(C)CCS(=O)(=O)C 2230a_100000741768_100000731031 [0,1,1,0,0,0|1,0,1]=4 314 B11R0.290 CCC(C)N(C)CCS(=O)(=O)C 2230a_100000750128_100000758301 [0,1,1,0,0,0|1,0,1]=4 315 B11R0.290 CCC(C)N(C)CCS(=O)(=O)C 269982a_100000741768_100000731031 [0,1,1,0,0,0|1,0,1]=4 316 B11R0.290 CCC(C)N(C)CCS(=O)(=O)C 269982a_100000750128_100000758301 [0,1,1,0,0,0|1,0,1]=4 317 B11R0.290 CCC(C)N(C)CCS(=O)(=O)C 34a_100000750128_100011215416 [0,1,1,0,0,0|1,0,1]=4 318 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 11a_100000225621_100000737124 [0,1,1,0,0,0|2,0,0]=4 319 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 1626a_100000225621_100000737124 [0,1,1,0,0,0|2,0,0]=4 320 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 240690a_100000225621_100000737124 [0,1,1,0,0,0|2,0,0]=4 321 B11R0.290 CCN(C)C(=O)CCS(=O)(=O)C 527a_100000225621_100000737124 [0,1,1,0,0,0|2,0,0]=4 322 B11R0.290 CN(CCS(=O)(=O)C)C(=O)CO 240690a_100000750128_100000210174 [0,1,1,0,0,0|2,0,0]=4 323 B11R0.290 CN(CCS(=O)(=O)C)C(=O)CO 527a_100000750128_100000210174 [0,1,1,0,0,0|2,0,0]=4 324 B11R0.290 CNC(=O)C(=O)CCS(=O)(=O)C 1458a_100011218921_100000731031 [0,1,1,0,0,0|2,0,0]=4 325 B11R0.290 CNC(=O)N(C)CCS(=O)(=O)C 2708a_100102657272_100000750128 [0,1,1,0,0,0|2,0,0]=4 326 B11R0.290 CNC(=O)N(C)CCS(=O)(=O)C 273464a_100102657272_100000750128 [0,1,1,0,0,0|2,0,0]=4 327 B11R0.290 COC(C)C(=O)CCS(=O)(=O)C 1458a_100000743197_100000731031 [0,1,1,0,0,0|1,0,1]=4 328 B11R0.290 COC(C)N(C)CCS(=O)(=O)C 269982a_100000750128_100009879195 [0,1,1,0,0,0|1,0,1]=4 329 B11R0.290 CSC(C)C(=O)CCS(=O)(=O)C 1458a_100000149566_100000731031 [0,1,1,0,0,0|1,0,1]=4 330 B11R0.290 C[C@H](CO)N(C)CCS(=O)(=O)C 269982a_100000750128_100016084084 [0,1,1,0,0,0|1,0,1]=4 331 B11R0.319 CC(C)(C)C(=O)CCS(=O)(=O)C 1458a_106744555173_100000731031 [0,1,1,0,0,0|1,0,1]=4 332 B11R0.319 CC(C)(F)C(=O)CCS(=O)(=O)C 1458a_100000765255_100000731031 [0,1,1,0,0,0|1,0,1]=4 333 B11R0.319 CC(C)(O)C(=O)CCS(=O)(=O)C 1458a_100000242741_100000731031 [0,1,1,0,0,0|1,0,1]=4 334 B11R0.319 CN(CCS(=O)(=O)C)C(C)(C)C 269982a_100000750128_100000210625 [0,1,1,0,0,0|1,0,1]=4 335 B11R0.319 CN(CCS(=O)(=O)C)C(C)(C)C 269982a_100011215553_100000731031 [0,1,1,0,0,0|1,0,1]=4 336 B11R0.319 CN(CCS(=O)(=O)C)C(C)(C)C 34a_100000750128_100000210625 [0,1,1,0,0,0|1,0,1]=4 337 B11R1.82 C=CCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210623 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.82 C=CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000210623 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.82 C=CCN1CCS(=O)(=O)CC1 34a_100000750940_100015514636 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.82 CCCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210303 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.82 CCCN1CCS(=O)(=O)CC1 269982a_100000750940_100000210303 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.82 CCCN1CCS(=O)(=O)CC1 34a_100000750940_100000210303 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.82 CCNC1CCS(=O)(=O)CC1 2230a_100000739226_100000210202 [1,1,0,0,0,0|0,0,2]=4 344 B11R1.82 CCNC1CCS(=O)(=O)CC1 270004a_100015525214_100000015219 [1,1,0,0,0,0|0,0,2]=4 345 B11R1.82 CCNC1CCS(=O)(=O)CC1 34a_100000739226_100000210202 [1,1,0,0,0,0|0,0,2]=4 346 B11R1.82 CCOC1CCS(=O)(=O)CC1 34a_100011349575_100000210202 [1,1,0,0,0,0|0,0,2]=4 347 B11R1.82 CCOC1CCS(=O)(=O)CC1 7a_100011349575_100000210202 [1,1,0,0,0,0|0,0,2]=4 348 B11R1.82 CNCC1CCS(=O)(=O)CC1 2230a_100000693208_200000210301 [1,1,0,0,0,0|0,0,2]=4 349 B11R1.82 CNCC1CCS(=O)(=O)CC1 270004a_106832991635_200011794348 [1,1,0,0,0,0|0,0,2]=4 350 B11R1.82 CNCC1CCS(=O)(=O)CC1 34a_100000693208_200000210301 [1,1,0,0,0,0|0,0,2]=4 351 B11R1.82 COCN1CCS(=O)(=O)CC1 2230a_100000750940_100000766300 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.82 COCN1CCS(=O)(=O)CC1 269982a_100000750940_100000766300 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.82 CSCN1CCS(=O)(=O)CC1 2230a_100000750940_100011218213 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.82 CSCN1CCS(=O)(=O)CC1 269982a_100000750940_100011218213 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.82 CSCN1CCS(=O)(=O)CC1 34a_100000750940_100011218213 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.82 O=CCN1CCS(=O)(=O)CC1 2230a_100000750940_200015260668 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.82 O=CCN1CCS(=O)(=O)CC1 269982a_100000750940_200015260668 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.82 O=CCN1CCS(=O)(=O)CC1 34a_100000750940_200009817547 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.82 O=S1(=O)CCC(CC1)NCF 34a_100000739226_100015361967 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.82 O=S1(=O)CCC(CC1)OCF 34a_100011349575_100015361967 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.82 O=S1(=O)CCC(CC1)OCF 7a_100011349575_100015361967 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.82 O=S1(=O)CCN(CC1)CCF 2230a_100000750940_100011217306 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.82 O=S1(=O)CCN(CC1)CCF 269982a_100000750940_100011217306 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.82 O=S1(=O)CCN(CC1)CCF 34a_100000750940_100011217306 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.82 O=S1(=O)CCN(CC1)CCO 2230a_100000750940_100000211926 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.82 O=S1(=O)CCN(CC1)CCO 269982a_100000750940_100000211926 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.82 O=S1(=O)CCN(CC1)CCO 34a_100000750940_100000211926 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.82 [13CH3]NCC1CCS(=O)(=O)CC1 2230a_100000693208_200025704644 [1,1,0,0,0,0|0,0,2]=4 369 B11R1.82 [13CH3]NCC1CCS(=O)(=O)CC1 34a_100000693208_200025704644 [1,1,0,0,0,0|0,0,2]=4 370 B11R1.488 CN(C)C1CS(=O)(=O)CC1O 2230a_100102631434_200000185318 [0,1,0,0,1,0|1,0,1]=4 371 B11R1.488 CN(C)C1CS(=O)(=O)CC1O 2230a_200000182272_200000210301 [0,1,0,0,1,0|1,0,1]=4 372 B11R1.488 CN(C)C1CS(=O)(=O)CC1O 269982a_100102631434_200000185318 [0,1,0,0,1,0|1,0,1]=4 373 B11R1.488 CN(C)C1CS(=O)(=O)CC1O 269982a_200000182272_200000210301 [0,1,0,0,1,0|1,0,1]=4 374 B11R1.488 CN(C)C1CS(=O)(=O)CC1O 34a_200000182272_200000210301 [0,1,0,0,1,0|1,0,1]=4 375 B11R1.488 CN([13CH3])C1CS(=O)(=O)CC1O 2230a_200000182272_200025704644 [0,1,0,0,1,0|1,0,1]=4 376 B11R1.488 CN([13CH3])C1CS(=O)(=O)CC1O 269982a_200000182272_200025704644 [0,1,0,0,1,0|1,0,1]=4 377 B11R1.488 CN([13CH3])C1CS(=O)(=O)CC1O 34a_200000182272_200025704644 [0,1,0,0,1,0|1,0,1]=4 378 B11R1.738 CN(C)C1(CCS(=O)(=O)C1)C 2230a_100015184106_200000210301 [0,1,0,0,1,0|1,0,1]=4 379 B11R1.738 CN(C)C1(CCS(=O)(=O)C1)C 269982a_100015184106_200000210301 [0,1,0,0,1,0|1,0,1]=4 380 B11R1.738 CN(C)C1(CCS(=O)(=O)C1)C 34a_100015184106_200000210301 [0,1,0,0,1,0|1,0,1]=4 381 B11R1.738 CN([13CH3])C1(CCS(=O)(=O)C1)C 2230a_100015184106_200025704644 [0,1,0,0,1,0|1,0,1]=4 382 B11R1.738 CN([13CH3])C1(CCS(=O)(=O)C1)C 269982a_100015184106_200025704644 [0,1,0,0,1,0|1,0,1]=4 383 B11R1.738 CN([13CH3])C1(CCS(=O)(=O)C1)C 34a_100015184106_200025704644 [0,1,0,0,1,0|1,0,1]=4 384 B11R1.866 CCC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_100000210202 [0,1,0,0,1,0|1,0,1]=4 385 B11R1.866 CCN(C)C1CCS(=O)(=O)C1 2230a_100000184735_100000210202 [0,1,0,0,1,0|1,0,1]=4 386 B11R1.866 CCN(C)C1CCS(=O)(=O)C1 2230a_100000687299_200000210301 [0,1,0,0,1,0|1,0,1]=4 387 B11R1.866 CCN(C)C1CCS(=O)(=O)C1 269982a_100000184735_100000204670 [0,1,0,0,1,0|1,0,1]=4 388 B11R1.866 CCN(C)C1CCS(=O)(=O)C1 269982a_100000687299_200000210301 [0,1,0,0,1,0|1,0,1]=4 389 B11R1.866 CCN(C)C1CCS(=O)(=O)C1 34a_100000184735_100000210202 [0,1,0,0,1,0|1,0,1]=4 390 B11R1.866 CCN(C)C1CCS(=O)(=O)C1 34a_100000687299_200000210301 [0,1,0,0,1,0|1,0,1]=4 391 B11R1.866 CCN([13CH3])C1CCS(=O)(=O)C1 2230a_100000687299_200025704644 [0,1,0,0,1,0|1,0,1]=4 392 B11R1.866 CCN([13CH3])C1CCS(=O)(=O)C1 269982a_100000687299_200025704644 [0,1,0,0,1,0|1,0,1]=4 393 B11R1.866 CCN([13CH3])C1CCS(=O)(=O)C1 34a_100000687299_200025704644 [0,1,0,0,1,0|1,0,1]=4 394 B11R1.866 CN(CF)C1CCS(=O)(=O)C1 269982a_100000184735_100015361967 [0,1,0,0,1,0|1,0,1]=4 395 B11R1.866 CN(CF)C1CCS(=O)(=O)C1 34a_100000184735_100015361967 [0,1,0,0,1,0|1,0,1]=4 396 B11R1.866 CNC(=O)C1CCS(=O)(=O)C1 11a_106832991635_100000209820 [0,1,0,0,1,0|1,0,1]=4 397 B11R1.866 CNC(=O)C1CCS(=O)(=O)C1 1626a_100102657272_100000209820 [0,1,0,0,1,0|1,0,1]=4 398 B11R1.866 CNC(=O)C1CCS(=O)(=O)C1 240690a_100102657272_100000209820 [0,1,0,0,1,0|1,0,1]=4 399 B11R1.866 CNC(=O)C1CCS(=O)(=O)C1 527a_100102657272_100000209820 [0,1,0,0,1,0|1,0,1]=4 400 B11R1.866 O=C(CF)C1CCS(=O)(=O)C1 1458a_100000209820_100015361967 [0,1,0,0,1,0|1,0,1]=4 401 B13R1.2680 CC(CO)NC1CCS(=O)(=O)CC1 2230a_100000739226_100012180447 [0,1,0,0,0,1|0,0,2]=4 402 B13R1.2680 CC(CO)NC1CCS(=O)(=O)CC1 34a_100000739226_100012180447 [0,1,0,0,0,1|0,0,2]=4 403 B13R1.2680 CC(CO)OC1CCS(=O)(=O)CC1 34a_100011349575_100012180447 [0,1,0,0,0,1|0,0,2]=4 404 B13R1.2680 CC(CO)OC1CCS(=O)(=O)CC1 7a_100011349575_100012180447 [0,1,0,0,0,1|0,0,2]=4 405 B13R1.2680 CCC(=O)CN1CCS(=O)(=O)CC1 1458a_100000739238_100000210202 [0,1,0,0,0,1|2,0,0]=4 406 B13R1.2680 CCC(=O)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000747405 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 11a_100000739226_100000210414 [0,1,0,0,0,1|1,0,1]=4 408 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 1626a_100000739226_100000210414 [0,1,0,0,0,1|1,0,1]=4 409 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 240690a_100000739226_100000210414 [0,1,0,0,0,1|1,0,1]=4 410 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 527a_100000739226_100000210414 [0,1,0,0,0,1|1,0,1]=4 411 B13R1.2680 CCC(C)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000748023 [0,1,0,0,0,1|1,0,1]=4 412 B13R1.2680 CCC(C)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000748023 [0,1,0,0,0,1|1,0,1]=4 413 B13R1.2680 CCC(C)CN1CCS(=O)(=O)CC1 270004a_100000750940_100000243153 [0,1,0,0,0,1|1,0,1]=4 414 B13R1.2680 CCC(C)CN1CCS(=O)(=O)CC1 34a_100000750940_100000748023 [0,1,0,0,0,1|1,0,1]=4 415 B13R1.2680 CCC(C)NC1CCS(=O)(=O)CC1 2230a_100000739226_100000758301 [0,1,0,0,0,1|0,0,2]=4 416 B13R1.2680 CCC(C)NC1CCS(=O)(=O)CC1 270004a_100000209981_100000015219 [0,1,0,0,0,1|0,0,2]=4 417 B13R1.2680 CCC(C)NC1CCS(=O)(=O)CC1 34a_100000739226_100011215416 [0,1,0,0,0,1|0,0,2]=4 418 B13R1.2680 CCC(C)OC1CCS(=O)(=O)CC1 34a_100011349575_100011215416 [0,1,0,0,0,1|0,0,2]=4 419 B13R1.2680 CCC(C)OC1CCS(=O)(=O)CC1 7a_100011349575_100000758301 [0,1,0,0,0,1|0,0,2]=4 420 B13R1.2680 CC[C@H](C)CN1CCS(=O)(=O)CC1 2230a_100000750940_100009816398 [0,1,0,0,0,1|1,0,1]=4 421 B13R1.2680 CC[C@H](C)CN1CCS(=O)(=O)CC1 269982a_100000750940_100009816398 [0,1,0,0,0,1|1,0,1]=4 422 B13R1.2680 CC[C@H](C)CN1CCS(=O)(=O)CC1 34a_100000750940_100009816398 [0,1,0,0,0,1|1,0,1]=4 423 B13R1.2680 CNC(=O)CN1CCS(=O)(=O)CC1 11a_106832991635_100000739238 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.2680 CNC(=O)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000183359 [0,1,0,0,0,1|2,0,0]=4 425 B13R1.2680 CNC(=O)CN1CCS(=O)(=O)CC1 240690a_100102657272_100000739238 [0,1,0,0,0,1|2,0,0]=4 426 B13R1.2680 CNC(=O)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000183359 [0,1,0,0,0,1|2,0,0]=4 427 B13R1.2680 CNC(=O)CN1CCS(=O)(=O)CC1 34a_100000750940_100000183359 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.2680 CNC(=O)CN1CCS(=O)(=O)CC1 527a_100102657272_100000739238 [0,1,0,0,0,1|2,0,0]=4 429 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 2708a_100000739226_106832991635 [0,1,0,0,0,1|1,0,1]=4 430 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 2708a_100102657272_100000739226 [0,1,0,0,0,1|1,0,1]=4 431 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 273464a_100000739226_100102657272 [0,1,0,0,0,1|1,0,1]=4 432 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 273464a_100102657272_100000739226 [0,1,0,0,0,1|1,0,1]=4 433 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 512a_100000739226_100102657272 [0,1,0,0,0,1|1,0,1]=4 434 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 512a_106832991638_100000739226 [0,1,0,0,0,1|1,0,1]=4 435 B13R1.2680 COC(=O)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000747449 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.2680 COC(=O)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000747449 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.2680 COC(=O)CN1CCS(=O)(=O)CC1 34a_100000750940_100000747449 [0,1,0,0,0,1|2,0,0]=4 438 B13R1.2680 C[C@@H](CO)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000059175 [0,1,0,0,0,1|1,0,1]=4 439 B13R1.2680 C[C@@H](CO)CN1CCS(=O)(=O)CC1 269982a_100000750940_100000059175 [0,1,0,0,0,1|1,0,1]=4 440 B13R1.2680 C[C@@H](CO)CN1CCS(=O)(=O)CC1 34a_100000750940_100000059175 [0,1,0,0,0,1|1,0,1]=4 441 B13R1.2680 C[C@H](CF)NC1CCS(=O)(=O)CC1 270004a_100102880703_100000015219 [0,1,0,0,0,1|0,0,2]=4 442 B13R1.2680 C[C@H](CO)NC1CCS(=O)(=O)CC1 270004a_100000737577_100000015219 [0,1,0,0,0,1|0,0,2]=4 443 B13R1.2680 O=C(CF)CN1CCS(=O)(=O)CC1 1458a_100000739238_100015361967 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.2680 O=C(CO)NC1CCS(=O)(=O)CC1 240690a_100000739226_100000210174 [0,1,0,0,0,1|1,0,1]=4 445 B13R1.2680 O=C(CO)NC1CCS(=O)(=O)CC1 527a_100000739226_100000210174 [0,1,0,0,0,1|1,0,1]=4 446 B13R1.6178 C=C(C)C(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000185857 [0,1,0,0,0,1|1,0,1]=4 447 B13R1.6178 C=C(C)C(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000185857 [0,1,0,0,0,1|1,0,1]=4 448 B13R1.6178 CC(=O)C(C)N1CCS(=O)(=O)CC1 2230a_100000750940_100009814033 [0,1,0,0,0,1|2,0,0]=4 449 B13R1.6178 CC(=O)C(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100009814033 [0,1,0,0,0,1|2,0,0]=4 450 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 11a_100000765069_100015343762 [0,1,0,0,0,1|1,0,1]=4 451 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 1626a_100000765069_100015343762 [0,1,0,0,0,1|1,0,1]=4 452 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 240690a_100000765069_100015343762 [0,1,0,0,0,1|1,0,1]=4 453 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 527a_100000765069_100103153847 [0,1,0,0,0,1|1,0,1]=4 454 B13R1.6178 CC(C)C(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_100000210206 [0,1,0,0,0,1|0,0,2]=4 455 B13R1.6178 CC(C)C(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000210198 [0,1,0,0,0,1|1,0,1]=4 456 B13R1.6178 CC(C)C(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000210198 [0,1,0,0,0,1|1,0,1]=4 457 B13R1.6178 CC(C)C(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100000210198 [0,1,0,0,0,1|1,0,1]=4 458 B13R1.6178 CC(C)C(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100000210198 [0,1,0,0,0,1|1,0,1]=4 459 B13R1.6178 CC(C)N(C)C1CCS(=O)(=O)CC1 2230a_100000765069_100000210206 [0,1,0,0,0,1|0,0,2]=4 460 B13R1.6178 CC(C)N(C)C1CCS(=O)(=O)CC1 269982a_100000765069_100000210206 [0,1,0,0,0,1|0,0,2]=4 461 B13R1.6178 CC(C)N(C)C1CCS(=O)(=O)CC1 270004a_200000211004_100000015219 [0,1,0,0,0,1|0,0,2]=4 462 B13R1.6178 CC(C)N(C)C1CCS(=O)(=O)CC1 34a_100000765069_100000210206 [0,1,0,0,0,1|0,0,2]=4 463 B13R1.6178 CN(C)C(=O)C1CCS(=O)(=O)CC1 11a_100102631434_100000755231 [0,1,0,0,0,1|1,0,1]=4 464 B13R1.6178 CN(C)C(=O)C1CCS(=O)(=O)CC1 1626a_100102631434_100000755231 [0,1,0,0,0,1|1,0,1]=4 465 B13R1.6178 CN(C)C(=O)C1CCS(=O)(=O)CC1 240690a_100102631434_100000755231 [0,1,0,0,0,1|1,0,1]=4 466 B13R1.6178 CN(C)C(=O)C1CCS(=O)(=O)CC1 527a_100102631434_100000755231 [0,1,0,0,0,1|1,0,1]=4 467 B13R1.7873 CC(C)(C)CN1CCS(=O)(=O)CC1 270004a_100000750940_100011204126 [0,1,0,0,0,1|1,0,1]=4 468 B13R1.7873 CC(C)(C)CN1CCS(=O)(=O)CC1 34a_100000750940_100011219605 [0,1,0,0,0,1|1,0,1]=4 469 B13R1.7873 CC(C)(C)NC1CCS(=O)(=O)CC1 34a_100000739226_100000210625 [0,1,0,0,0,1|0,0,2]=4 470 B13R1.7873 CC(C)(C)OC1CCS(=O)(=O)CC1 34a_100011349575_100000210625 [0,1,0,0,0,1|0,0,2]=4 471 B13R1.7873 CC(C)(F)CN1CCS(=O)(=O)CC1 34a_100000750940_100011997219 [0,1,0,0,0,1|1,0,1]=4 472 B13R1.7873 CC(C)(O)CN1CCS(=O)(=O)CC1 34a_100000750940_100000764493 [0,1,0,0,0,1|1,0,1]=4 473 B13R1.7873 C[N+](C)(C)CN1CCS(=O)(=O)CC1 269982a_100000750940_200000036245 [0,1,0,0,0,1|2,0,0]=4 474 B13R1.7873 C[Si](C)(C)CN1CCS(=O)(=O)CC1 2230a_100000750940_100000037933 [0,1,0,0,0,1|1,1,0]=4 475 B13R1.4184 C#CC(C)(C)N1CCS(=O)(=O)CC1 34a_100000750940_100000038118 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.4184 CC(C)(C#N)N1CCS(=O)(=O)CC1 269982a_100000750940_100011162410 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.4184 CC(C)(C#N)N1CCS(=O)(=O)CC1 34a_100000750940_100011162410 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.4184 CCC(C)(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100000032637 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.962 CCC(CC)N1CCS(=O)(=O)CC1 269982a_100000750940_100000210505 [0,2,0,0,0,0|1,0,1]=4 480 B13R1.962 CCC(CC)N1CCS(=O)(=O)CC1 270004a_100000750940_100000210860 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.962 CCN(CC)C1CCS(=O)(=O)CC1 270004a_100000724800_100000015219 [0,2,0,0,0,0|1,0,1]=4 482 B13R1.1512 C#CCC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_100000184674 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.1512 C#CCC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100011220946 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.1512 C#CCC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100011220946 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.1512 C#CCN(C)C1CCS(=O)(=O)CC1 2230a_100000765069_100000038162 [0,2,0,0,0,0|1,0,1]=4 486 B13R1.1512 C#CCN(C)C1CCS(=O)(=O)CC1 270004a_100000225692_100000015219 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.1512 C#CCN(C)C1CCS(=O)(=O)CC1 34a_100000765069_100000184674 [0,2,0,0,0,0|1,0,1]=4 488 B13R1.1512 C=CCC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_100000210623 [0,2,0,0,0,0|1,0,1]=4 489 B13R1.1512 C=CCC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000210193 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.1512 C=CCC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000210193 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.1512 C=CCC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100000210193 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.1512 C=CCC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100000210193 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.1512 C=CCN(C)C1CCS(=O)(=O)CC1 2230a_100000765069_100000210623 [0,2,0,0,0,0|1,0,1]=4 494 B13R1.1512 C=CCN(C)C1CCS(=O)(=O)CC1 269982a_100000765069_100000210623 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.1512 C=CCN(C)C1CCS(=O)(=O)CC1 270004a_100000225617_100000015219 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.1512 C=CCN(C)C1CCS(=O)(=O)CC1 34a_100000765069_100015514636 [0,2,0,0,0,0|1,0,1]=4 497 B13R1.1512 CC(CC#N)N1CCS(=O)(=O)CC1 2230a_100000750940_100009813641 [0,2,0,0,0,0|1,0,1]=4 498 B13R1.1512 CC(CC#N)N1CCS(=O)(=O)CC1 269982a_100000750940_100009813641 [0,2,0,0,0,0|1,0,1]=4 499 B13R1.1512 CC(CCO)N1CCS(=O)(=O)CC1 2230a_100000750940_100009893172 [0,2,0,0,0,0|1,0,1]=4 500 B13R1.1512 CC(CCO)N1CCS(=O)(=O)CC1 269982a_100000750940_100009893172 [0,2,0,0,0,0|1,0,1]=4 501 B13R1.1512 CC(CCO)N1CCS(=O)(=O)CC1 34a_100000750940_100009893172 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.1512 CC=CC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000210699 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.1512 CC=CC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000210699 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.1512 CC=CC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100000210699 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.1512 CCCC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_100000210303 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.1512 CCCC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000211992 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.1512 CCCC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000211992 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.1512 CCCC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100000211992 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.1512 CCCC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100000211992 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.1512 CCCC(C)N1CCS(=O)(=O)CC1 2230a_100000750940_100000766640 [0,2,0,0,0,0|1,0,1]=4 511 B13R1.1512 CCCC(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100000766640 [0,2,0,0,0,0|1,0,1]=4 512 B13R1.1512 CCCC(C)N1CCS(=O)(=O)CC1 270004a_100000750940_100000211909 [0,2,0,0,0,0|1,0,1]=4 513 B13R1.1512 CCCC(C)N1CCS(=O)(=O)CC1 34a_100000750940_100000766640 [0,2,0,0,0,0|1,0,1]=4 514 B13R1.1512 CCCN(C)C1CCS(=O)(=O)CC1 2230a_100000765069_100000210303 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.1512 CCCN(C)C1CCS(=O)(=O)CC1 269982a_100000765069_100000210303 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.1512 CCCN(C)C1CCS(=O)(=O)CC1 270004a_100000747261_100000015219 [0,2,0,0,0,0|1,0,1]=4 517 B13R1.1512 CCCN(C)C1CCS(=O)(=O)CC1 34a_100000765069_100000210303 [0,2,0,0,0,0|1,0,1]=4 518 B13R1.1512 CCNC(=O)C1CCS(=O)(=O)CC1 11a_100015525214_100000755231 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.1512 CCNC(=O)C1CCS(=O)(=O)CC1 240690a_100015525214_100000755231 [0,2,0,0,0,0|1,0,1]=4 520 B13R1.1512 CCNC(=O)C1CCS(=O)(=O)CC1 527a_100015525214_100000755231 [0,2,0,0,0,0|1,0,1]=4 521 B13R1.1512 CCNC(=O)N1CCS(=O)(=O)CC1 2708a_100015525214_100000750940 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.1512 CCNC(=O)N1CCS(=O)(=O)CC1 273464a_100015525214_100000750940 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.1512 CN(CC#N)C1CCS(=O)(=O)CC1 2230a_100000765069_100011215382 [0,2,0,0,0,0|1,0,1]=4 524 B13R1.1512 CN(CC#N)C1CCS(=O)(=O)CC1 269982a_100000765069_100011214920 [0,2,0,0,0,0|1,0,1]=4 525 B13R1.1512 CN(CC=O)C1CCS(=O)(=O)CC1 2230a_100000765069_200015260668 [0,2,0,0,0,0|1,0,1]=4 526 B13R1.1512 CN(CC=O)C1CCS(=O)(=O)CC1 269982a_100000765069_200015260668 [0,2,0,0,0,0|1,0,1]=4 527 B13R1.1512 CN(CC=O)C1CCS(=O)(=O)CC1 34a_100000765069_200009817547 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.1512 CN(CCF)C1CCS(=O)(=O)CC1 2230a_100000765069_100011217306 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.1512 CN(CCF)C1CCS(=O)(=O)CC1 269982a_100000765069_100011217306 [0,2,0,0,0,0|1,0,1]=4 530 B13R1.1512 CN(CCF)C1CCS(=O)(=O)CC1 34a_100000765069_100011217306 [0,2,0,0,0,0|1,0,1]=4 531 B13R1.1512 CN(CCO)C1CCS(=O)(=O)CC1 2230a_100000765069_100000211926 [0,2,0,0,0,0|1,0,1]=4 532 B13R1.1512 CN(CCO)C1CCS(=O)(=O)CC1 269982a_100000765069_100000211926 [0,2,0,0,0,0|1,0,1]=4 533 B13R1.1512 CN(CCO)C1CCS(=O)(=O)CC1 270004a_100000210263_100000015219 [0,2,0,0,0,0|1,0,1]=4 534 B13R1.1512 CN(CCO)C1CCS(=O)(=O)CC1 34a_100000765069_100000211926 [0,2,0,0,0,0|1,0,1]=4 535 B13R1.1512 CNNC(=O)C1CCS(=O)(=O)CC1 22a_100016993582_100000755231 [0,2,0,0,0,0|1,0,1]=4 536 B13R1.1512 COCC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000210968 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.1512 COCC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000210968 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.1512 COCC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100000210968 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.1512 COCC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100000210968 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.1512 COCC(C)N1CCS(=O)(=O)CC1 2230a_100000750940_100000765312 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.1512 COCC(C)N1CCS(=O)(=O)CC1 269982a_100000750940_100000765312 [0,2,0,0,0,0|1,0,1]=4 542 B13R1.1512 COCC(C)N1CCS(=O)(=O)CC1 270004a_100000750940_100000749346 [0,2,0,0,0,0|1,0,1]=4 543 B13R1.1512 COCC(C)N1CCS(=O)(=O)CC1 34a_100000750940_100000765312 [0,2,0,0,0,0|1,0,1]=4 544 B13R1.1512 COCN(C)C1CCS(=O)(=O)CC1 2230a_100000765069_100000766300 [0,2,0,0,0,0|1,0,1]=4 545 B13R1.1512 COCN(C)C1CCS(=O)(=O)CC1 269982a_100000765069_100000766300 [0,2,0,0,0,0|1,0,1]=4 546 B13R1.1512 CSCC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100000184570 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.1512 CSCC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100000184570 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.1512 CSCC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100000184570 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.1512 CSCC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100000184570 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.1512 CSCC(C)N1CCS(=O)(=O)CC1 270004a_100000750940_100011216314 [0,2,0,0,0,0|1,0,1]=4 551 B13R1.1512 CSCN(C)C1CCS(=O)(=O)CC1 2230a_100000765069_100011218213 [0,2,0,0,0,0|1,0,1]=4 552 B13R1.1512 CSCN(C)C1CCS(=O)(=O)CC1 269982a_100000765069_100011218213 [0,2,0,0,0,0|1,0,1]=4 553 B13R1.1512 CSCN(C)C1CCS(=O)(=O)CC1 34a_100000765069_100011218213 [0,2,0,0,0,0|1,0,1]=4 554 B13R1.1512 N#CCC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_100011214920 [0,2,0,0,0,0|1,0,1]=4 555 B13R1.1512 N#CCC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100051588842 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.1512 N#CCC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100051588842 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.1512 O=C(CCF)C1CCS(=O)(=O)CC1 1458a_100000755231_100011217306 [0,2,0,0,0,0|1,0,1]=4 558 B13R1.1512 O=C(CCO)C1CCS(=O)(=O)CC1 1458a_100000755231_100000211926 [0,2,0,0,0,0|1,0,1]=4 559 B13R1.1512 O=C(CCO)N1CCS(=O)(=O)CC1 240690a_100000750940_100011216618 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.140 CCS(=O)(=O)CCNC1CC1 34a_100000212008_100000756660 [0,0,1,1,0,0|1,0,1]=4 561 B11R1.140 CCS(=O)(=O)CCNC1CC1 34a_100000751051_100000211595 [0,0,1,1,0,0|1,0,1]=4 562 B11R1.140 CCS(=O)(=O)CCOC1CC1 34a_200011216379_100000211595 [0,0,1,1,0,0|1,0,1]=4 563 B11R1.140 CCS(=O)(=O)CCSC1CC1 62a_100000756660_100000211595 [0,0,1,1,0,0|1,0,1]=4 564 B11R1.710 CC(=O)CC1CCS(=O)(=O)C1 1458a_100000186120_200000210301 [0,0,1,1,0,0|1,0,1]=4 565 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 11a_100000683523_100015343762 [0,0,1,1,0,0|2,0,0]=4 566 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 1626a_100000683523_100015343762 [0,0,1,1,0,0|2,0,0]=4 567 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 240690a_100000683523_100015343762 [0,0,1,1,0,0|2,0,0]=4 568 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 527a_100000683523_100103153847 [0,0,1,1,0,0|2,0,0]=4 569 B11R1.710 CC(C)NC1CCS(=O)(=O)C1 2230a_100000683523_100000210206 [0,0,1,1,0,0|1,0,1]=4 570 B11R1.710 CC(C)NC1CCS(=O)(=O)C1 34a_100000683523_100000210206 [0,0,1,1,0,0|1,0,1]=4 571 B11R1.710 CC(C)OC1CCS(=O)(=O)C1 34a_100000186101_100000210206 [0,0,1,1,0,0|1,0,1]=4 572 B11R1.710 CC(C)OC1CCS(=O)(=O)C1 7a_100000186101_100000210206 [0,0,1,1,0,0|1,0,1]=4 573 B11R1.710 [13CH3]C(=O)CC1CCS(=O)(=O)C1 1458a_100000186120_200025704644 [0,0,1,1,0,0|1,0,1]=4 574 B11R1.160 CC1CCN1CCS(=O)(=O)C 269982a_100000755817_100000731031 [0,0,1,1,0,0|1,0,1]=4 575 B11R1.160 CC1CCN1CCS(=O)(=O)C 34a_100000755817_100000731031 [0,0,1,1,0,0|1,0,1]=4 576 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 11a_100000695683_100015343762 [0,0,1,1,0,0|2,0,0]=4 577 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 1626a_100000695683_100015343762 [0,0,1,1,0,0|2,0,0]=4 578 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 240690a_100000695683_100015343762 [0,0,1,1,0,0|2,0,0]=4 579 B11R1.707 CC(=O)N1CC(C1)S(=O)(=O)C 527a_100000695683_100103153847 [0,0,1,1,0,0|2,0,0]=4 580 B11R1.707 CC(C)N1CC(C1)S(=O)(=O)C 269982a_100000695683_100000210206 [0,0,1,1,0,0|1,0,1]=4 581 B11R1.707 CC(C)N1CC(C1)S(=O)(=O)C 34a_100000695683_100000210206 [0,0,1,1,0,0|1,0,1]=4 582 B11R1.1417 CN(CCS(=O)(=O)C)C1CC1 2230a_100000226674_100000731031 [0,0,1,1,0,0|1,0,1]=4 583 B11R1.1417 CN(CCS(=O)(=O)C)C1CC1 269982a_100000226674_100000731031 [0,0,1,1,0,0|1,0,1]=4 584 B11R1.1417 CN(CCS(=O)(=O)C)C1CC1 269982a_100000750128_100000211595 [0,0,1,1,0,0|1,0,1]=4 585 B11R1.1417 CN(CCS(=O)(=O)C)C1CC1 34a_100000750128_100000211595 [0,0,1,1,0,0|1,0,1]=4 586 B11R1.1417 CS(=O)(=O)CCC(=O)C1CC1 1458a_100000210395_100000731031 [0,0,1,1,0,0|1,0,1]=4 587 B13R2.3337 O=S1(=O)CCC(CC1)NC2CC2 34a_100000739226_100000211595 [0,0,0,1,0,1|0,0,2]=4 588 B13R2.3337 O=S1(=O)CCC(CC1)OC2CC2 34a_100011349575_100000211595 [0,0,0,1,0,1|0,0,2]=4 589 B13R2.3337 O=S1(=O)CCN(CC1)CC2CC2 2230a_100000750940_100000742324 [0,0,0,1,0,1|1,0,1]=4 590 B13R2.3337 O=S1(=O)CCN(CC1)CC2CC2 269982a_100000750940_100000756562 [0,0,0,1,0,1|1,0,1]=4 591 B13R2.3337 O=S1(=O)CCN(CC1)CC2CC2 34a_100000750940_100000742324 [0,0,0,1,0,1|1,0,1]=4 592 B13R2.13799 CC(=O)N1C2CC1CS(=O)(=O)C2 11a_214929135312_100015343762 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.13799 CC(=O)N1C2CC1CS(=O)(=O)C2 1626a_214929135312_100015343762 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.13799 CC(=O)N1C2CC1CS(=O)(=O)C2 240690a_214929135312_100015343762 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.13799 CC(=O)N1C2CC1CS(=O)(=O)C2 527a_214929135312_100103153847 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.13799 CC(C)N1C2CC1CS(=O)(=O)C2 269982a_214929135312_100000210206 [0,1,0,1,0,0|1,0,1]=4 597 B13R2.3336 O=S1(=O)CCN(CC1)C2CCC2 269982a_100000750940_100000749161 [0,1,0,1,0,0|1,0,1]=4 598 B13R2.3336 O=S1(=O)CCN(CC1)C2CCC2 270004a_100000750940_100000241760 [0,1,0,1,0,0|1,0,1]=4 599 B13R2.3336 O=S1(=O)CCN(CC1)C2CCC2 34a_100000750940_100000749161 [0,1,0,1,0,0|1,0,1]=4 600 B13R2.3336 O=S1(=O)CCN(CC1)C2COC2 269982a_100000750940_100000687716 [0,1,0,1,0,0|1,0,1]=4 601 B13R2.3336 O=S1(=O)CCN(CC1)C2COC2 34a_100000750940_100009818527 [0,1,0,1,0,0|1,0,1]=4 602 B9R0.64 C=C(C)CNS(=O)(=O)CC 270084a_100000765925_100000211323 [0,0,1,0,1,0|1,0,1]=4 603 B9R0.64 C=C(C)CNS(=O)(=O)CC 274078a_100000765925_100000211323 [0,0,1,0,1,0|1,0,1]=4 604 B9R0.64 C=C(C)CNS(=O)(=O)CC 40a_100000765925_100000053943 [0,0,1,0,1,0|1,0,1]=4 605 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [0,0,1,0,1,0|1,0,0]=3 606 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100000694288_200000210301 [0,0,1,0,1,0|1,0,0]=3 607 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100102631434_100000756660 [0,0,1,0,1,0|1,0,0]=3 608 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100000694288_200000210301 [0,0,1,0,1,0|1,0,0]=3 609 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100102631434_100000756660 [0,0,1,0,1,0|1,0,0]=3 610 B9R0.64 CCS(=O)(=O)CCN(C)C 34a_100000694288_200000210301 [0,0,1,0,1,0|1,0,0]=3 611 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 2230a_100000694288_200025704644 [0,0,1,0,1,0|1,0,0]=3 612 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 269982a_100000694288_200025704644 [0,0,1,0,1,0|1,0,0]=3 613 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 34a_100000694288_200025704644 [0,0,1,0,1,0|1,0,0]=3 614 B9R0.64 CCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211323 [0,0,1,0,1,0|1,0,1]=4 615 B9R0.64 CCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211323 [0,0,1,0,1,0|1,0,1]=4 616 B9R0.64 CCS(=O)(=O)NCC(C)C 40a_100000210953_100000053943 [0,0,1,0,1,0|1,0,1]=4 617 B9R0.64 CNS(=O)(=O)CCC(C)C 270084a_100102657272_100000750698 [0,0,1,0,1,0|1,0,1]=4 618 B9R0.64 CNS(=O)(=O)CCC(C)C 274078a_100102657272_100000750698 [0,0,1,0,1,0|1,0,1]=4 619 B9R0.57 CC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000210206 [0,0,1,0,1,0|1,0,1]=4 620 B9R0.57 CN(C)C(=O)CS(=O)(=O)C 11a_100102631434_100000744497 [0,0,1,0,1,0|2,0,0]=4 621 B9R0.57 CN(C)C(=O)CS(=O)(=O)C 240690a_100102631434_100000744497 [0,0,1,0,1,0|2,0,0]=4 622 B9R0.57 CN(C)C(=O)CS(=O)(=O)C 527a_100102631434_100000744497 [0,0,1,0,1,0|2,0,0]=4 623 B9R1.133 CNC1CCS(=O)(=O)C1 2230a_100000683523_200000210301 [1,0,0,0,1,0|1,0,1]=4 624 B9R1.133 CNC1CCS(=O)(=O)C1 34a_100000683523_200000210301 [1,0,0,0,1,0|1,0,1]=4 625 B9R1.133 COC1CCS(=O)(=O)C1 34a_100000186101_200000210301 [1,0,0,0,1,0|1,0,1]=4 626 B9R1.133 COC1CCS(=O)(=O)C1 7a_100000186101_200000210301 [1,0,0,0,1,0|1,0,1]=4 627 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 2230a_100000683523_200025704644 [1,0,0,0,1,0|1,0,1]=4 628 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 34a_100000683523_200025704644 [1,0,0,0,1,0|1,0,1]=4 629 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 34a_100000186101_200025704644 [1,0,0,0,1,0|1,0,1]=4 630 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 7a_100000186101_200025704644 [1,0,0,0,1,0|1,0,1]=4 631 B11R0.127 C=C(C)CNCCS(=O)(=O)CC 2230a_100000751051_100000748629 [0,0,1,0,0,1|0,0,2]=4 632 B11R0.127 C=C(C)CNCCS(=O)(=O)CC 34a_100000751051_100000748629 [0,0,1,0,0,1|0,0,2]=4 633 B11R0.127 C=C(C)COCCS(=O)(=O)CC 34a_100000210245_100000756660 [0,0,1,0,0,1|0,0,2]=4 634 B11R0.127 C=C(C)COCCS(=O)(=O)CC 34a_200011216379_100000748629 [0,0,1,0,0,1|0,0,2]=4 635 B11R0.127 C=C(C)COCCS(=O)(=O)CC 7a_200011216379_100000748629 [0,0,1,0,0,1|0,0,2]=4 636 B11R0.127 C=C(C)CSCCS(=O)(=O)CC 62a_100000748629_100000756660 [0,0,1,0,0,1|0,0,2]=4 637 B11R0.127 C=C(C)CSCCS(=O)(=O)CC 62a_100000756660_100000211660 [0,0,1,0,0,1|0,0,2]=4 638 B11R0.127 CCS(=O)(=O)CCNCC(C)C 2230a_100000210953_100000756660 [0,0,1,0,0,1|0,0,2]=4 639 B11R0.127 CCS(=O)(=O)CCNCC(C)C 2230a_100000751051_100000210760 [0,0,1,0,0,1|0,0,2]=4 640 B11R0.127 CCS(=O)(=O)CCNCC(C)C 270004a_100000751051_100000210432 [0,0,1,0,0,1|0,0,2]=4 641 B11R0.127 CCS(=O)(=O)CCNCC(C)C 34a_100000210953_100000756660 [0,0,1,0,0,1|0,0,2]=4 642 B11R0.127 CCS(=O)(=O)CCNCC(C)C 34a_100000751051_100000210624 [0,0,1,0,0,1|0,0,2]=4 643 B11R0.127 CCS(=O)(=O)CCOCC(=O)C 34a_100000211253_100000756660 [0,0,1,0,0,1|1,0,1]=4 644 B11R0.127 CCS(=O)(=O)CCOCC(C)C 34a_100000210257_100000756660 [0,0,1,0,0,1|0,0,2]=4 645 B11R0.127 CCS(=O)(=O)CCOCC(C)C 34a_200011216379_100000210624 [0,0,1,0,0,1|0,0,2]=4 646 B11R0.127 CCS(=O)(=O)CCOCC(C)C 7a_200011216379_100000210760 [0,0,1,0,0,1|0,0,2]=4 647 B11R0.127 CCS(=O)(=O)CCSCC(C)C 62a_100000210624_100000756660 [0,0,1,0,0,1|0,0,2]=4 648 B11R0.127 CCS(=O)(=O)CCSCC(C)C 62a_100000756660_100000210760 [0,0,1,0,0,1|0,0,2]=4 649 B11R0.127 CCS(=O)(=O)NCCCC(C)C 270084a_200000737386_100000211323 [0,0,1,0,0,1|0,0,2]=4 650 B11R0.127 CCS(=O)(=O)NCCCC(C)C 274078a_200000737386_100000211323 [0,0,1,0,0,1|0,0,2]=4 651 B11R0.127 CCS(=O)(=O)NCCCC(C)C 40a_200000737386_100000053943 [0,0,1,0,0,1|0,0,2]=4 652 B11R0.127 CCS(=O)(=O)NCCCN(C)C 270084a_102531767803_100000211323 [0,0,1,0,0,1|1,0,1]=4 653 B11R0.127 CCS(=O)(=O)NCCCN(C)C 274078a_102531767803_100000211323 [0,0,1,0,0,1|1,0,1]=4 654 B11R0.127 CCS(=O)(=O)NCCCN(C)C 40a_102531767803_100000053943 [0,0,1,0,0,1|1,0,1]=4 655 B11R0.127 CCS(=O)(=O)NCCNC(=O)C 270084a_100000209853_100000211323 [0,0,1,0,0,1|2,0,0]=4 656 B11R0.127 CCS(=O)(=O)NCCNC(=O)C 274078a_100000209853_100000211323 [0,0,1,0,0,1|2,0,0]=4 657 B11R0.127 CCS(=O)(=O)NCCNC(=O)C 40a_100000209853_100000053943 [0,0,1,0,0,1|2,0,0]=4 658 B11R0.127 CCS(=O)(=O)NCCOC(=O)C 270084a_100000724843_100000211323 [0,0,1,0,0,1|2,0,0]=4 659 B11R0.127 CCS(=O)(=O)NCCOC(=O)C 274078a_100000724843_100000211323 [0,0,1,0,0,1|2,0,0]=4 660 B11R0.127 CCS(=O)(=O)NCCOC(=O)C 40a_100000724843_100000053943 [0,0,1,0,0,1|2,0,0]=4 661 B11R0.127 CCS(=O)(=O)NCCOC(C)C 274078a_100000701111_100000211323 [0,0,1,0,0,1|1,0,1]=4 662 B11R0.127 CCS(=O)(=O)NCCOC(C)C 40a_100000701111_100000053943 [0,0,1,0,0,1|1,0,1]=4 663 B11R0.127 CCS(=O)(=O)NCCSC(=O)C 274078a_100020647217_100000211323 [0,0,1,0,0,1|2,0,0]=4 664 B11R0.127 CCS(=O)(=O)NCCSC(=O)C 40a_100020647217_100000053943 [0,0,1,0,0,1|2,0,0]=4 665 B11R0.127 CCS(=O)(=O)NCCSC(C)C 270084a_100000731138_100000211323 [0,0,1,0,0,1|1,0,1]=4 666 B11R0.127 CCS(=O)(=O)NCCSC(C)C 274078a_100000731138_100000211323 [0,0,1,0,0,1|1,0,1]=4 667 B11R0.127 CCS(=O)(=O)NCCSC(C)C 40a_100000731138_100000053943 [0,0,1,0,0,1|1,0,1]=4 668 B11R0.318 C=C(C)C(=O)CCCS(=O)(=O)C 1458a_100000185857_100000754308 [0,0,1,0,0,1|1,0,1]=4 669 B11R0.318 C=C(C)C(=O)CCNS(=O)(=O)C 1458a_100000185857_100000754112 [0,0,1,0,0,1|1,0,1]=4 670 B11R0.318 C=C(C)C(=O)CCOS(=O)(=O)C 1458a_100000185857_200000036756 [0,0,1,0,0,1|1,0,1]=4 671 B11R0.318 C=C(C)C(=O)NCCS(=O)(=O)C 11a_100000740961_100000185857 [0,0,1,0,0,1|1,0,1]=4 672 B11R0.318 C=C(C)C(=O)NCCS(=O)(=O)C 1626a_100000740961_100000185857 [0,0,1,0,0,1|1,0,1]=4 673 B11R0.318 C=C(C)C(C)NCCS(=O)(=O)C 269862a_100000740961_100011216138 [0,0,1,0,0,1|0,0,2]=4 674 B11R0.318 CC(=O)C(C)NCCS(=O)(=O)C 2230a_100000740961_100009814033 [0,0,1,0,0,1|1,0,1]=4 675 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)C 34a_100000212229_100000731031 [0,0,1,0,0,1|1,0,1]=4 676 B11R0.318 CC(=O)C(C)OCCS(=O)(=O)C 7a_100000211924_100000179758 [0,0,1,0,0,1|1,0,1]=4 677 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)C 62a_100000731031_100009814033 [0,0,1,0,0,1|1,0,1]=4 678 B11R0.318 CC(=O)C(C)SCCS(=O)(=O)C 62a_100009814033_100000230027 [0,0,1,0,0,1|1,0,1]=4 679 B11R0.318 CC(C)C(=O)CCCS(=O)(=O)C 1458a_100000210198_100000754308 [0,0,1,0,0,1|1,0,1]=4 680 B11R0.318 CC(C)C(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210206 [0,0,1,0,0,1|1,0,1]=4 681 B11R0.318 CC(C)C(=O)CCNS(=O)(=O)C 1458a_100000210198_100000754112 [0,0,1,0,0,1|1,0,1]=4 682 B11R0.318 CC(C)C(=O)CCOS(=O)(=O)C 1458a_100000210198_200000036756 [0,0,1,0,0,1|1,0,1]=4 683 B11R0.318 CC(C)C(=O)NCCS(=O)(=O)C 11a_100000740961_100000210198 [0,0,1,0,0,1|1,0,1]=4 684 B11R0.318 CC(C)C(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210198 [0,0,1,0,0,1|1,0,1]=4 685 B11R0.318 CC(C)C(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210198 [0,0,1,0,0,1|1,0,1]=4 686 B11R0.318 CC(C)C(=O)NCCS(=O)(=O)C 527a_100000740961_100000210198 [0,0,1,0,0,1|1,0,1]=4 687 B11R0.318 CC(C)C(C)NCCS(=O)(=O)C 2230a_100000211541_100000731031 [0,0,1,0,0,1|0,0,2]=4 688 B11R0.318 CC(C)C(C)OCCS(=O)(=O)C 7a_100000748068_100000230027 [0,0,1,0,0,1|0,0,2]=4 689 B11R0.318 CC(C)N(C)CCCS(=O)(=O)C 269982a_200000211004_100000754308 [0,0,1,0,0,1|1,0,1]=4 690 B11R0.318 CC(C)N(C)CCNS(=O)(=O)C 269982a_200000211004_100000754112 [0,0,1,0,0,1|1,0,1]=4 691 B11R0.318 CC(C)N(C)CCNS(=O)(=O)C 40a_100000749581_100000738038 [0,0,1,0,0,1|1,0,1]=4 692 B11R0.318 CC(C)N(C)CCOS(=O)(=O)C 269982a_200000211004_200000036756 [0,0,1,0,0,1|1,0,1]=4 693 B11R0.318 CN(C)C(=O)CCNS(=O)(=O)C 1626a_100102631434_100000165793 [0,0,1,0,0,1|2,0,0]=4 694 B11R0.318 CN(C)C(=O)CCNS(=O)(=O)C 240690a_100102631434_100000165793 [0,0,1,0,0,1|2,0,0]=4 695 B11R0.318 CN(C)C(=O)CCNS(=O)(=O)C 40a_100000738053_100000738038 [0,0,1,0,0,1|2,0,0]=4 696 B11R0.318 CN(C)C(=O)CCNS(=O)(=O)C 527a_100102631434_100000165793 [0,0,1,0,0,1|2,0,0]=4 697 B11R0.318 CN(C)C(=O)NCCS(=O)(=O)C 2708a_100000740961_100102631434 [0,0,1,0,0,1|2,0,0]=4 698 B11R0.337 C=C(C)CC(=O)CCS(=O)(=O)C 1458a_100000737124_100000748629 [0,0,1,0,0,1|1,0,1]=4 699 B11R0.337 C=C(C)CN(C)CCS(=O)(=O)C 2230a_100000225649_100000731031 [0,0,1,0,0,1|1,0,1]=4 700 B11R0.337 C=C(C)CN(C)CCS(=O)(=O)C 2230a_100000750128_100000748629 [0,0,1,0,0,1|1,0,1]=4 701 B11R0.337 C=C(C)CN(C)CCS(=O)(=O)C 269982a_100000225649_100000731031 [0,0,1,0,0,1|1,0,1]=4 702 B11R0.337 C=C(C)CN(C)CCS(=O)(=O)C 269982a_100000750128_100000748629 [0,0,1,0,0,1|1,0,1]=4 703 B11R0.337 C=C(C)CN(C)CCS(=O)(=O)C 34a_100000750128_100000748629 [0,0,1,0,0,1|1,0,1]=4 704 B11R0.337 CC(=CC(=O)CCS(=O)(=O)C)C 1458a_100000211388_100000731031 [0,0,1,0,0,1|1,0,0]=3 705 B11R0.337 CC(=CC(=O)CCS(=O)(=O)C)Cl 1458a_200042562850_100000731031 [0,0,1,0,0,1|2,0,0]=4 706 B11R0.337 CC(=CC(=O)CCS(=O)(=O)C)I 1458a_100025716642_100000731031 [0,0,1,0,0,1|2,0,0]=4 707 B11R0.337 CC(=CC(=O)CCS(=O)(=O)[O-])C 1458a_100000211388_100000762736 [0,0,1,0,0,1|2,0,0]=4 708 B11R0.337 CC(=O)CC(=O)CCS(=O)(=O)C 1458a_100000070787_100103131435 [0,0,1,0,0,1|2,0,0]=4 709 B11R0.337 CC(C)CC(=O)CCS(=O)(=O)C 1458a_100000210554_100000731031 [0,0,1,0,0,1|1,0,1]=4 710 B11R0.337 CC(C)CC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210624 [0,0,1,0,0,1|1,0,1]=4 711 B11R0.337 CC(C)CN(C)CCS(=O)(=O)C 2230a_100000747067_100000731031 [0,0,1,0,0,1|1,0,1]=4 712 B11R0.337 CC(C)CN(C)CCS(=O)(=O)C 2230a_100000750128_100000210760 [0,0,1,0,0,1|1,0,1]=4 713 B11R0.337 CC(C)CN(C)CCS(=O)(=O)C 269982a_100000747067_100000731031 [0,0,1,0,0,1|1,0,1]=4 714 B11R0.337 CC(C)CN(C)CCS(=O)(=O)C 269982a_100000750128_100000210624 [0,0,1,0,0,1|1,0,1]=4 715 B11R0.337 CC(C)CN(C)CCS(=O)(=O)C 270004a_100000750128_100000210432 [0,0,1,0,0,1|1,0,1]=4 716 B11R0.337 CC(C)CN(C)CCS(=O)(=O)C 34a_100000750128_100000210624 [0,0,1,0,0,1|1,0,1]=4 717 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 11a_100138425928_100000737124 [0,0,1,0,0,1|1,0,1]=4 718 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 1626a_100138425928_100000737124 [0,0,1,0,0,1|1,0,1]=4 719 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 240690a_100138425928_100000737124 [0,0,1,0,0,1|1,0,1]=4 720 B11R0.337 CC(C)NC(=O)CCS(=O)(=O)C 527a_100138425928_100000737124 [0,0,1,0,0,1|1,0,1]=4 721 B11R0.337 CN(C)CC(=O)CCS(=O)(=O)C 1458a_100000750896_100000731031 [0,0,1,0,0,1|2,0,0]=4 722 B11R0.337 CN(C)CC(=O)CCS(=O)(=O)C 2230a_100102631434_100103131435 [0,0,1,0,0,1|2,0,0]=4 723 B11R0.337 C[S+](C)CC(=O)CCS(=O)(=O)C 1458a_200159257847_100000731031 [0,0,1,0,0,1|2,0,0]=4 724 B11R1.730 CC(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200000210301 [0,0,0,0,1,1|1,0,1]=4 725 B11R1.730 [13CH3]C(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200025704644 [0,0,0,0,1,1|1,0,1]=4 726 B13R1.341 C=C(C)CCN1CCS(=O)(=O)CC1 2230a_100000750940_100000730704 [0,0,0,0,0,2|1,0,1]=4 727 B13R1.341 C=C(C)CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000730704 [0,0,0,0,0,2|1,0,1]=4 728 B13R1.341 C=C(C)CCN1CCS(=O)(=O)CC1 34a_100000750940_100000730704 [0,0,0,0,0,2|1,0,1]=4 729 B13R1.341 C=C(C)CNC1CCS(=O)(=O)CC1 2230a_100000739226_100000748629 [0,0,0,0,0,2|0,0,2]=4 730 B13R1.341 C=C(C)CNC1CCS(=O)(=O)CC1 34a_100000739226_100000748629 [0,0,0,0,0,2|0,0,2]=4 731 B13R1.341 C=C(C)COC1CCS(=O)(=O)CC1 34a_100011349575_100000748629 [0,0,0,0,0,2|0,0,2]=4 732 B13R1.341 C=C(C)COC1CCS(=O)(=O)CC1 7a_100011349575_100000748629 [0,0,0,0,0,2|0,0,2]=4 733 B13R1.341 CC(=CCN1CCS(=O)(=O)CC1)C 2230a_100000750940_100000761012 [0,0,0,0,0,2|1,0,0]=3 734 B13R1.341 CC(=CCN1CCS(=O)(=O)CC1)C 269982a_100000750940_100000761012 [0,0,0,0,0,2|1,0,0]=3 735 B13R1.341 CC(=CCN1CCS(=O)(=O)CC1)C 34a_100000750940_100000761012 [0,0,0,0,0,2|1,0,0]=3 736 B13R1.341 CC(=O)CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000053229 [0,0,0,0,0,2|2,0,0]=4 737 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 11a_100000693208_100015343762 [0,0,0,0,0,2|1,0,1]=4 738 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 1626a_100000693208_100015343762 [0,0,0,0,0,2|1,0,1]=4 739 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 240690a_100000693208_100015343762 [0,0,0,0,0,2|1,0,1]=4 740 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 527a_100000693208_100103153847 [0,0,0,0,0,2|1,0,1]=4 741 B13R1.341 CC(=O)NN=C1CCS(=O)(=O)CC1 4a_100000189765_100000015219 [0,0,0,0,0,2|1,0,0]=3 742 B13R1.341 CC(=O)OCN1CCS(=O)(=O)CC1 269982a_100000750940_100000076356 [0,0,0,0,0,2|2,0,0]=4 743 B13R1.341 CC(=O)OCN1CCS(=O)(=O)CC1 34a_100000750940_100009813279 [0,0,0,0,0,2|2,0,0]=4 744 B13R1.341 CC(C)CCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210312 [0,0,0,0,0,2|1,0,1]=4 745 B13R1.341 CC(C)CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000210312 [0,0,0,0,0,2|1,0,1]=4 746 B13R1.341 CC(C)CCN1CCS(=O)(=O)CC1 34a_100000750940_100000210312 [0,0,0,0,0,2|1,0,1]=4 747 B13R1.341 CC(C)CNC1CCS(=O)(=O)CC1 2230a_100000739226_100000210760 [0,0,0,0,0,2|0,0,2]=4 748 B13R1.341 CC(C)CNC1CCS(=O)(=O)CC1 270004a_100000210953_100000015219 [0,0,0,0,0,2|0,0,2]=4 749 B13R1.341 CC(C)CNC1CCS(=O)(=O)CC1 270004a_100000739226_100000210432 [0,0,0,0,0,2|0,0,2]=4 750 B13R1.341 CC(C)CNC1CCS(=O)(=O)CC1 34a_100000739226_100000210624 [0,0,0,0,0,2|0,0,2]=4 751 B13R1.341 CC(C)COC1CCS(=O)(=O)CC1 34a_100011349575_100000210624 [0,0,0,0,0,2|0,0,2]=4 752 B13R1.341 CC(C)COC1CCS(=O)(=O)CC1 7a_100011349575_100000210760 [0,0,0,0,0,2|0,0,2]=4 753 B13R1.341 CC(C)NCC1CCS(=O)(=O)CC1 2230a_100000693208_100000210206 [0,0,0,0,0,2|0,0,2]=4 754 B13R1.341 CC(C)NCC1CCS(=O)(=O)CC1 34a_100000693208_100000210206 [0,0,0,0,0,2|0,0,2]=4 755 B13R1.341 CC(C)NN=C1CCS(=O)(=O)CC1 4a_100000741168_100000015219 [0,0,0,0,0,2|0,0,1]=3 756 B13R1.341 CC(C)OCN1CCS(=O)(=O)CC1 2230a_100000750940_100000709892 [0,0,0,0,0,2|1,0,1]=4 757 B13R1.341 CC(C)OCN1CCS(=O)(=O)CC1 269982a_100000750940_100000709892 [0,0,0,0,0,2|1,0,1]=4 758 B13R1.341 CC(C)OCN1CCS(=O)(=O)CC1 34a_100000750940_100000709892 [0,0,0,0,0,2|1,0,1]=4 759 B13R1.341 CN(C)CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000755713 [0,0,0,0,0,2|2,0,0]=4