0 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.28 CC(=O)C/C=C/B(O)O 1458a_100000070787_100016262062 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,0|1,0,1]=2 16 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,0|0,0,2]=2 17 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,0|1,0,3]=4 19 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,0|0,0,4]=4 20 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,0|0,0,4]=4 21 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,0|1,0,3]=4 22 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,0|1,0,3]=4 23 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,0|1,0,3]=4 27 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,0|1,0,3]=4 28 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,0|1,0,3]=4 29 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,0|1,0,3]=4 31 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,0|1,0,3]=4 32 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,0|1,0,3]=4 33 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,0|1,0,3]=4 34 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,0|1,0,3]=4 35 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,0|1,0,1]=2 36 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,0|1,0,1]=2 37 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,0|1,0,1]=2 38 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,0|1,0,3]=4 40 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,0|1,0,3]=4 41 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,0|1,0,3]=4 42 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,0|1,0,3]=4 43 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,0|0,0,2]=2 56 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,0|0,0,4]=4 57 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,0|1,0,3]=4 58 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,0|1,0,1]=2 59 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|0,0,0]=1 60 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|0,0,0]=1 61 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|1,0,2]=4 68 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,2]=3 69 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,2]=3 70 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,2]=3 71 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,2]=3 80 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,2]=3 81 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,1]=3 84 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|1,0,2]=4 92 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,1]=3 94 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|1,0,2]=4 95 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|1,0,2]=4 97 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,1,0,0,0,0|0,0,3]=4 98 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.1 C=C(C)C=NNC(=O)CC 4a_100000183195_100000210575 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,0|0,0,3]=4 101 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,1,0,0,0,0|1,0,2]=4 102 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,0|0,0,2]=3 103 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.1 CC(=O)NN=C/C(=C\N)/C 4a_100000189765_100050415766 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,0|0,0,2]=3 106 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|0,0,2]=3 107 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,1,0,0,0,0|1,0,1]=3 108 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|0,0,2]=3 109 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,1,0,0,0,0|1,0,1]=3 110 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,1,0,0,0,0|1,0,1]=3 112 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,0,0,0,0|2,0,1]=4 114 B9R0.1 CN(C)CC=CC(=O)CF 1458a_100000754359_100015361967 [0,1,0,0,0,0|1,0,1]=3 115 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,0|0,0,2]=3 116 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,0|0,0,2]=3 117 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,0|0,0,2]=3 118 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,1,0,0,0,0|1,0,1]=3 119 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,1,0,0,0,0|1,0,1]=3 120 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,1,0,0,0,0|1,0,1]=3 121 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,1,0,0,0,0|1,0,1]=3 122 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,1,0,0,0,0|1,0,1]=3 123 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,1,0,0,0,0|1,0,1]=3 124 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,0|1,0,1]=3 127 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,1,0,0,0,0|3,0,0]=4 128 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.7 C=C(C)C(=NNC(=O)C)C 4a_100000189765_100011216138 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,1,0,0,0,0|1,0,1]=3 131 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,1,0,0,0,0|1,0,2]=4 132 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,1,0,0,0,0|1,0,2]=4 133 B9R0.7 C=C(C)C(=O)NNC(=O)C 22a_100000189765_100000185857 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,0|1,0,2]=4 135 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,0|1,0,2]=4 136 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [0,1,0,0,0,0|1,0,2]=4 137 B9R0.7 CC(=CCC(=O)N(C)C)C 11a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.7 CC(=CCC(=O)N(C)C)C 1626a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.7 CC(=CCC(=O)N(C)C)C 240690a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.7 CC(=CCC(=O)N(C)C)C 527a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,1,0,0,0,0|0,0,3]=4 142 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,1,0,0,0,0|0,0,3]=4 143 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|1,0,2]=4 144 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|1,0,2]=4 145 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|1,0,2]=4 146 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|1,0,2]=4 147 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|1,0,2]=4 148 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,1,0,0,0,0|1,0,0]=2 149 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|1,0,2]=4 150 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,0|1,0,2]=4 152 B9R0.7 CC(=O)CSC(=S)N(C)C 1458a_100000016564_200000210301 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,0|1,0,2]=4 154 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,1,0,0,0,0|2,0,1]=4 158 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 161 B9R0.7 CC(=O)NN=C(C)C(C)C 4a_100000189765_100000211110 [0,1,0,0,0,0|2,0,1]=4 162 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,1,0,0,0,0|2,0,1]=4 163 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,1,0,0,0,0|2,0,1]=4 164 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,0|1,0,2]=4 165 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,0|1,0,2]=4 169 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|1,0,2]=4 173 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [0,1,0,0,0,0|1,0,2]=4 174 B9R0.7 CC(C)C=CC(=O)N(C)C 11a_100102631434_100016268746 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.7 CC(C)C=CC(=O)N(C)C 1626a_100102631434_100016268746 [0,1,0,0,0,0|2,0,1]=4 176 B9R0.7 CC(C)C=CC(=O)N(C)C 240690a_100102631434_100016268746 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|1,0,2]=4 178 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,1,0,0,0,0|1,0,0]=2 179 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|1,0,2]=4 180 B9R0.7 CN(C)C(=S)SCC(=O)[13CH3] 1458a_100000016564_200025704644 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,1,0,0,0,0|1,0,1]=3 182 B9R0.53 C=C(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748629 [0,1,0,0,0,0|1,0,2]=4 183 B9R0.53 C=C(C)CC(=O)C=C(C)I 1458a_100025716642_100000748629 [0,1,0,0,0,0|1,0,2]=4 184 B9R0.53 C=C(F)CC(=O)C=C(C)C 1458a_100000211388_100009893438 [0,1,0,0,0,0|1,0,2]=4 185 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,1,0,0,0,0|1,0,1]=3 186 B9R0.53 CC(=CC(=O)CC(=O)N)Cl 1458a_200042562850_100000187820 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.53 CC(=CC(=O)CC(=O)N)I 1458a_100025716642_100000187820 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,1,0,0,0,0|1,0,1]=3 189 B9R0.53 CC(=CC(=O)CC(=O)[O-])Cl 1458a_200042562850_100020667443 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.53 CC(=CC(=O)CC(=O)[O-])I 1458a_100025716642_100020667443 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,0|1,0,2]=4 192 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,0|1,0,2]=4 193 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,0|1,0,2]=4 194 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,0|0,0,3]=4 195 B9R0.53 CC(=CC(=O)C[N+](=O)[O-])C 1458a_100000211388_100000761209 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 198 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,1,0,0,0,0|2,0,1]=4 204 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,0|1,0,2]=4 206 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,0|1,0,2]=4 207 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.56 CC(=CCNS(=O)(=O)C)C 40a_100000718196_100000738038 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,0,0,1,0,0|2,0,1]=4 211 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,0,0,1,0,0|1,1,1]=4 212 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,0,0,1,0,0|0,1,1]=3 213 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,0,0,1,0,0|2,0,1]=4 214 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,0,0,1,0,0|1,1,1]=4 215 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,0,0,1,0,0|2,0,1]=4 216 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,0,0,1,0,0|2,0,1]=4 217 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,0,0,1,0,0|1,1,1]=4 220 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [0,0,0,1,0,0|2,0,1]=4 221 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,1,0,0|2,0,1]=4 222 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,1,0,0|2,0,0]=3 223 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,1,0,0|2,0,0]=3 224 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,1,0,0|2,0,0]=3 225 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,0,0,1,0,0|3,0,0]=4 226 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,1,0,0|2,0,1]=4 227 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,0,0,1,0,0|3,0,0]=4 228 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,0,0,1,0,0|3,0,0]=4 229 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [0,0,0,1,0,0|2,0,1]=4 230 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,1,0,0|3,0,0]=4 231 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,0,0,1,0,0|2,0,1]=4 232 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,1,0|0,0,3]=4 233 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,1,0|0,0,3]=4 234 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,1,0|0,0,3]=4 235 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,1,0|1,0,2]=4 236 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,1,0|1,0,2]=4 237 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,1,0|1,0,2]=4 238 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,1,0|1,0,2]=4 239 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,1,0|0,0,1]=2 240 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,1,0|2,0,1]=4 241 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,1,0|2,0,1]=4 242 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,1,0|0,0,1]=2 243 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,1,0|0,0,1]=2 244 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,1,0|0,0,1]=2 245 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,1,0|0,0,3]=4 246 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,1,0|0,0,3]=4 247 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,1,0|1,0,2]=4 248 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,1,0|1,0,2]=4 249 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,1,0|2,0,1]=4 250 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,1,0|2,0,1]=4 251 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,1,0|1,0,2]=4 252 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,1,0|1,0,2]=4 253 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,1,0|2,0,1]=4 254 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,1,0|1,0,2]=4 255 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,1,0|2,0,1]=4 256 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,1,0|1,0,2]=4 257 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,1,0|1,0,2]=4 258 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,1,0|1,0,2]=4 259 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,1,0|1,0,2]=4 260 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,1,0|3,0,0]=4 261 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,1,0|2,0,1]=4 262 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,1,0|2,0,1]=4 263 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,1,0|2,0,1]=4 264 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,1,0|2,0,1]=4 265 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,1,0|0,0,1]=2 266 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,1,0|0,0,3]=4 267 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,1,0|1,0,2]=4 268 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,1,0|1,0,2]=4 269 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,1,0|1,0,2]=4 270 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [0,0,0,0,0,1|1,0,2]=4 271 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,0,0,0,0,1|1,0,2]=4 272 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,0,0,0,0,1|1,0,2]=4 273 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [0,0,0,0,0,1|1,0,2]=4 274 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [0,0,0,0,0,1|1,0,2]=4 275 B9R0.55 CC(=CC=NNC(C)C)C 4a_100000741168_100011215525 [0,0,0,0,0,1|2,0,1]=4 276 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,1|1,0,2]=4 277 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,1|1,0,2]=4 278 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,1|1,0,2]=4 279 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,1|1,0,2]=4 280 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,1|1,0,2]=4 281 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,1|1,0,2]=4 282 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,0,0,0,0,1|1,0,2]=4 283 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,0,0,0,0,1|1,0,2]=4 284 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,0,0,0,1|1,0,2]=4 285 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,0,0,0,1|1,0,2]=4 286 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,1|0,0,2]=3 287 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,0,0,0,0,1|1,0,0]=2 288 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,0,0,0,0,1|1,0,2]=4 289 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,1]=3 290 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [2,0,0,0,0,0|1,0,1]=4 291 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|0,0,0]=2 292 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|0,0,0]=2 293 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 294 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 295 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 296 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|1,0,1]=4 297 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|1,0,1]=4 298 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|1,0,1]=4 299 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,1]=3 304 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,1]=3 305 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,1]=3 306 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [2,0,0,0,0,0|1,0,1]=4 307 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,1]=3 309 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,1]=3 310 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|1,0,1]=4 312 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|1,0,1]=4 314 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,0]=3 315 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,0]=3 316 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|1,0,1]=4 317 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|1,0,1]=4 318 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,1]=4 320 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [1,1,0,0,0,0|0,0,2]=4 321 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [1,1,0,0,0,0|0,0,2]=4 322 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [1,1,0,0,0,0|1,0,1]=4 323 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|0,0,2]=4 325 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|0,0,2]=4 329 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|0,0,2]=4 330 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|0,0,2]=4 331 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [1,1,0,0,0,0|2,0,0]=4 334 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,1,0,0,0,0|0,0,0]=2 335 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [1,1,0,0,0,0|0,0,0]=2 336 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,1,0,0,0,0|0,0,0]=2 337 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,1,0,0,0,0|0,0,0]=2 338 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,1,0,0,0,0|0,0,0]=2 339 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|0,0,2]=4 340 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [1,1,0,0,0,0|0,0,2]=4 341 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,1,0,0,0,0|0,0,2]=4 342 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,1,0,0,0,0|0,0,2]=4 343 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,1,0,0,0,0|0,0,2]=4 344 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,1,0,0,0,0|0,0,2]=4 345 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|0,0,2]=4 346 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,1,0,0,0,0|0,0,2]=4 347 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|0,0,2]=4 349 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,1,0,0,0,0|0,0,2]=4 350 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|0,0,2]=4 351 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|0,0,2]=4 352 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|0,0,2]=4 353 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [1,1,0,0,0,0|1,0,1]=4 357 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [1,1,0,0,0,0|1,0,1]=4 361 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,1,0,0,0,0|0,0,2]=4 371 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,1,0,0,0,0|0,0,2]=4 372 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,1,0,0,0,0|0,0,2]=4 373 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [1,1,0,0,0,0|0,0,2]=4 374 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [1,1,0,0,0,0|0,0,2]=4 375 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|0,0,2]=4 376 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,1,0,0,0,0|0,0,2]=4 377 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|0,0,2]=4 378 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|0,0,2]=4 379 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,2]=4 380 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,2]=4 381 B8R0.7 CCNN=CC=C(C)C 4a_100000756455_100011215525 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|0,0,2]=4 383 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [1,1,0,0,0,0|0,0,2]=4 384 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [1,1,0,0,0,0|0,0,2]=4 385 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [1,1,0,0,0,0|0,0,2]=4 386 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|0,0,2]=4 388 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|0,0,2]=4 389 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 390 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|0,0,2]=4 394 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|0,0,2]=4 395 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,1,0,0,0,0|0,0,2]=4 396 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [1,1,0,0,0,0|1,0,1]=4 397 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [1,1,0,0,0,0|1,0,1]=4 400 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [1,1,0,0,0,0|2,0,0]=4 401 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [1,1,0,0,0,0|2,0,0]=4 402 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [1,1,0,0,0,0|0,0,2]=4 403 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,1,0,0,0,0|0,0,0]=2 404 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,1,0,0,0,0|0,0,0]=2 405 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|0,0,2]=4 406 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|0,0,2]=4 407 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|0,0,2]=4 408 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [1,1,0,0,0,0|1,0,0]=3 409 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [1,1,0,0,0,0|1,0,0]=3 410 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [1,1,0,0,0,0|1,0,1]=4 413 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [1,1,0,0,0,0|1,0,1]=4 414 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [1,1,0,0,0,0|1,0,1]=4 416 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,1,0|1,0,1]=4 418 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,0,0,1,0|1,0,1]=4 419 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,1,0,0,1,0|1,0,1]=4 420 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,1,0,0,1,0|2,0,0]=4 421 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,1,0,0,1,0|2,0,0]=4 422 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,1,0,0,1,0|2,0,0]=4 423 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,1,0,0,1,0|2,0,0]=4 424 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,1,0,0,1,0|2,0,0]=4 425 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,1,0,0,1,0|2,0,0]=4 426 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,1,0,0,1,0|2,0,0]=4 427 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,1,0,0,1,0|2,0,0]=4 428 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,1,0|1,0,1]=4 429 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,1,0|1,0,1]=4 430 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,1,0|1,0,1]=4 431 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,1,0|0,0,2]=4 432 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,1,0|1,0,1]=4 433 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,1,0|1,0,1]=4 434 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,1,0,0,0,1|0,0,2]=4 435 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,1,0,0,0,1|0,0,2]=4 436 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,1,0,0,0,1|0,0,2]=4 437 B10R0.55 CCC(=O)NN=CC=C(C)C 4a_100000183195_100011215525 [0,1,0,0,0,1|1,0,0]=3 438 B10R0.55 CNC(=O)CNCC=C(C)C 2230a_100000693194_100000761012 [0,1,0,0,0,1|0,0,2]=4 439 B10R0.55 CNC(=O)CNCC=C(C)C 34a_100000718196_100000183359 [0,1,0,0,0,1|0,0,2]=4 440 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,1,0,0,0,1|0,0,2]=4 441 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,1,0,0,0,1|0,0,2]=4 442 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000183359_100000761012 [0,1,0,0,0,1|0,0,2]=4 443 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000761012_100000183359 [0,1,0,0,0,1|0,0,2]=4 444 B10R0.55 COC(=O)/C=C/CNC(C)C 2230a_100138425928_100000742655 [0,1,0,0,0,1|0,0,2]=4 445 B10R0.55 COC(=O)/C=C/CNC(C)C 34a_100138425928_100000742655 [0,1,0,0,0,1|0,0,2]=4 446 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,1,0,0,0,1|0,0,2]=4 447 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,1,0,0,0,1|0,0,2]=4 448 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,1,0,0,0,1|0,0,2]=4 449 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,1,0,0,0,1|0,0,2]=4 450 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,1,0,0,0,1|0,0,2]=4 451 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,1,0,0,0,1|0,0,2]=4 452 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,1,0,0,0,1|0,0,2]=4 453 B10R0.96 C=C(C)CC(=O)C=CC(C)C 1458a_100016268746_100000748629 [0,1,0,0,0,1|1,0,1]=4 454 B10R0.96 C=C(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748629 [0,1,0,0,0,1|1,0,1]=4 455 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,1,0,0,0,1|1,0,1]=4 456 B10R0.96 C=C(C)CNC(=O)C=C(C)C 11a_100000765925_100000211388 [0,1,0,0,0,1|1,0,1]=4 457 B10R0.96 C=C(C)CNC(=O)C=C(C)C 1626a_100000765925_100000211388 [0,1,0,0,0,1|1,0,1]=4 458 B10R0.96 C=C(C)CNC(=O)C=C(C)C 240690a_100000765925_100000211388 [0,1,0,0,0,1|1,0,1]=4 459 B10R0.96 CC(=CC(=O)NCC(=O)N)C 11a_100000711301_100000211388 [0,1,0,0,0,1|1,0,1]=4 460 B10R0.96 CC(=CC(=O)NCC(=O)N)C 240690a_100000711301_100000211388 [0,1,0,0,0,1|1,0,1]=4 461 B10R0.96 CC(=CCC(=O)C=C(C)C)C 1458a_100000211388_100000761012 [0,1,0,0,0,1|1,0,0]=3 462 B10R0.96 CC(=CCC(=O)C=C(C)Cl)C 1458a_200042562850_100000761012 [0,1,0,0,0,1|1,0,0]=3 463 B10R0.96 CC(=CCC(=O)C=C(C)I)C 1458a_100025716642_100000761012 [0,1,0,0,0,1|1,0,0]=3 464 B10R0.96 CC(=CCC(=O)C=C(Cl)Cl)C 1458a_100000137448_100000761012 [0,1,0,0,0,1|2,0,0]=4 465 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,1,0,0,0,1|1,0,1]=4 466 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,1,0,0,0,1|1,0,1]=4 467 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,1,0,0,0,1|1,0,1]=4 468 B10R0.96 CC(=O)NNC(=O)C=C(C)C 22a_100000189765_100000211388 [0,1,0,0,0,1|1,0,0]=3 469 B10R0.96 CC(=O)NNC(=O)C=C(C)Cl 22a_100000189765_200042562850 [0,1,0,0,0,1|2,0,0]=4 470 B10R0.96 CC(C)C=CC(=O)CC(=O)N 1458a_100016268746_100000187820 [0,1,0,0,0,1|1,0,1]=4 471 B10R0.96 CC(C)C=CC(=O)CC(=O)[O-] 1458a_100016268746_100020667443 [0,1,0,0,0,1|1,0,1]=4 472 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,1,0,0,0,1|1,0,1]=4 473 B10R0.98 C=C(C)C(=O)NCC=C(C)C 11a_100000718196_100000185857 [0,1,0,0,0,1|1,0,1]=4 474 B10R0.98 C=C(C)C(=O)NCC=C(C)C 1626a_100000718196_100000185857 [0,1,0,0,0,1|1,0,1]=4 475 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,1,0,0,0,1|0,0,2]=4 476 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,1,0,0,0,1|0,0,2]=4 477 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,1,0,0,0,1|0,0,2]=4 478 B10R0.3 C#CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000184674 [0,2,0,0,0,0|0,0,2]=4 479 B10R0.3 C#CCC(=O)C=CCN(C)C 1458a_100000754359_100000184674 [0,2,0,0,0,0|1,0,1]=4 480 B10R0.3 C#CCC(=O)CCC=C(C)C 1458a_100011220946_100011217483 [0,2,0,0,0,0|0,0,2]=4 481 B10R0.3 C#CCC(=O)NCC=C(C)C 1626a_100000718196_100011220946 [0,2,0,0,0,0|1,0,1]=4 482 B10R0.3 C#CCC(=O)NCC=C(C)C 527a_100000718196_100011220946 [0,2,0,0,0,0|1,0,1]=4 483 B10R0.3 C=CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210623 [0,2,0,0,0,0|0,0,2]=4 484 B10R0.3 C=CCC(=O)C=CCN(C)C 1458a_100000754359_100000210623 [0,2,0,0,0,0|1,0,1]=4 485 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,2,0,0,0,0|0,0,2]=4 486 B10R0.3 C=CCC(=O)NCC=C(C)C 11a_100000718196_100000210193 [0,2,0,0,0,0|1,0,1]=4 487 B10R0.3 C=CCC(=O)NCC=C(C)C 1626a_100000718196_100000210193 [0,2,0,0,0,0|1,0,1]=4 488 B10R0.3 C=CCC(=O)NCC=C(C)C 527a_100000718196_100000210193 [0,2,0,0,0,0|1,0,1]=4 489 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,2,0,0,0,0|0,0,2]=4 490 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,2,0,0,0,0|0,0,2]=4 491 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,2,0,0,0,0|0,0,2]=4 492 B10R0.3 CC(=CCNC(=O)CC#N)C 1626a_100000718196_100051588842 [0,2,0,0,0,0|1,0,1]=4 493 B10R0.3 CC(C)/C=C/CC(=O)CC#N 1458a_100016292215_100011214920 [0,2,0,0,0,0|0,0,2]=4 494 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [0,2,0,0,0,0|0,0,2]=4 495 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,2,0,0,0,0|0,0,2]=4 496 B10R0.3 CC/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020678925 [0,2,0,0,0,0|2,0,0]=4 497 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,2,0,0,0,0|0,0,2]=4 498 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,2,0,0,0,0|1,0,1]=4 499 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,2,0,0,0,0|1,0,1]=4 500 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,2,0,0,0,0|0,0,2]=4 501 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,2,0,0,0,0|1,0,1]=4 502 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|0,0,2]=4 503 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,2,0,0,0,0|1,0,1]=4 504 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,2,0,0,0,0|1,0,1]=4 505 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,2,0,0,0,0|1,0,1]=4 506 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,2,0,0,0,0|0,0,2]=4 507 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,2,0,0,0,0|0,0,2]=4 508 B10R0.3 CCNC(=O)C=CCN(C)C 240690a_100015525214_100000754359 [0,2,0,0,0,0|1,0,1]=4 509 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,2,0,0,0,0|1,0,1]=4 510 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,2,0,0,0,0|1,0,1]=4 511 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,2,0,0,0,0|1,0,1]=4 512 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,2,0,0,0,0|1,0,1]=4 513 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,2,0,0,0,0|1,0,1]=4 514 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,2,0,0,0,0|1,0,1]=4 515 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,2,0,0,0,0|1,0,1]=4 516 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,2,0,0,0,0|1,0,1]=4 517 B10R0.3 CN(C)CC=CC(=O)CC#N 1458a_100000754359_100011214920 [0,2,0,0,0,0|1,0,1]=4 518 B10R0.3 CN(C)CC=CC(=O)CCF 1458a_100000754359_100011217306 [0,2,0,0,0,0|1,0,1]=4 519 B10R0.3 CN(C)CC=CC(=O)CCO 1458a_100000754359_100000211926 [0,2,0,0,0,0|1,0,1]=4 520 B10R0.3 CNNC(=O)C/C=C/C(C)C 22a_100016993582_100016292215 [0,2,0,0,0,0|0,0,2]=4 521 B10R0.3 CNNC(=O)C=CCN(C)C 22a_100016993582_100000754359 [0,2,0,0,0,0|1,0,1]=4 522 B10R0.3 CNNC(=O)NCC=C(C)C 273464a_100000718196_100016993582 [0,2,0,0,0,0|1,0,1]=4 523 B10R0.3 CNNC(=O)NCC=C(C)C 512a_100000718196_100016993582 [0,2,0,0,0,0|1,0,1]=4 524 B10R0.3 CNNC(=O)NCC=C(C)C 512a_100016993582_100000718196 [0,2,0,0,0,0|1,0,1]=4 525 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|0,0,2]=4 526 B10R0.3 COCC(=O)NCC=C(C)C 11a_100000718196_100000210968 [0,2,0,0,0,0|1,0,1]=4 527 B10R0.3 COCC(=O)NCC=C(C)C 1626a_100000718196_100000210968 [0,2,0,0,0,0|1,0,1]=4 528 B10R0.3 COCC(=O)NCC=C(C)C 527a_100000718196_100000210968 [0,2,0,0,0,0|1,0,1]=4 529 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,2,0,0,0,0|0,0,2]=4 530 B10R0.3 CSCC(=O)NCC=C(C)C 11a_100000718196_100000184570 [0,2,0,0,0,0|1,0,1]=4 531 B10R0.3 CSCC(=O)NCC=C(C)C 1626a_100000718196_100000184570 [0,2,0,0,0,0|1,0,1]=4 532 B10R0.3 CSCC(=O)NCC=C(C)C 527a_100000718196_100000184570 [0,2,0,0,0,0|1,0,1]=4 533 B10R0.44 C=C(C)CC(=O)C=C(C)CC 1458a_100020758463_100000748629 [0,2,0,0,0,0|1,0,1]=4 534 B10R0.44 CCC(=CC(=O)CC(=O)N)C 1458a_100020758463_100000187820 [0,2,0,0,0,0|1,0,1]=4 535 B10R0.44 CCC(=CC(=O)CC(=O)[O-])C 1458a_100020758463_100020667443 [0,2,0,0,0,0|1,0,1]=4 536 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [0,2,0,0,0,0|0,0,1]=3 537 B10R0.44 CCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747405 [0,2,0,0,0,0|1,0,1]=4 538 B10R0.44 CCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747405 [0,2,0,0,0,0|1,0,1]=4 539 B10R0.44 CNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183359 [0,2,0,0,0,0|0,0,1]=3 540 B10R0.44 CNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000183359 [0,2,0,0,0,0|1,0,1]=4 541 B10R0.44 CNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000183359 [0,2,0,0,0,0|1,0,1]=4 542 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,2,0,0,0,0|0,0,1]=3 543 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [0,2,0,0,0,0|1,0,1]=4 544 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [0,2,0,0,0,0|1,0,1]=4 545 B10R0.57 C/C=C(\C)/C(=NNC(=O)C)C 4a_100000189765_100020675665 [0,2,0,0,0,0|2,0,0]=4 546 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,2,0,0,0,0|1,0,1]=4 547 B10R0.57 C/C=C(\C)/C(=O)NNC(=O)C 22a_100000189765_100020587367 [0,2,0,0,0,0|2,0,0]=4 548 B10R0.57 CNC(=O)C(=O)CC=C(C)C 1458a_100011218921_100000761012 [0,2,0,0,0,0|0,0,1]=3 549 B10R0.59 C/C=C(\C)/C=NNC(=O)CC 4a_100000183195_100020587592 [0,2,0,0,0,0|2,0,0]=4 550 B10R0.59 CCN(C)C/C=C/C(=O)OC 2230a_100000225621_100000742655 [0,2,0,0,0,0|1,0,1]=4 551 B10R0.59 CCN(C)C/C=C/C(=O)OC 269982a_100000225621_100000742655 [0,2,0,0,0,0|1,0,1]=4 552 B10R0.82 CC=C(C)C=CC(=O)C(C)C 1458a_100000692105_100000210206 [0,2,0,0,0,0|1,0,1]=4 553 B10R0.82 CC=C(C)C=CC(=O)N(C)C 1626a_100102631434_100000692105 [0,2,0,0,0,0|2,0,0]=4 554 B10R0.82 CCC(=O)C=CC(=O)N(C)C 1458a_100011200747_100000210202 [0,2,0,0,0,0|1,0,0]=3 555 B10R0.82 CN(C)C(=O)C=CC(=O)CF 1458a_100011200747_100015361967 [0,2,0,0,0,0|1,0,0]=3 556 B10R0.82 CNC(=O)C=CC(=O)C(C)C 1458a_100016259477_100000210206 [0,2,0,0,0,0|0,0,1]=3 557 B10R0.82 CNC(=O)C=CC(=O)N(C)C 1626a_100102631434_100016259477 [0,2,0,0,0,0|1,0,0]=3 558 B10R0.82 CNC(=O)C=CC(=O)N(C)C 1626a_100102657272_100011200747 [0,2,0,0,0,0|1,0,0]=3 559 B10R0.82 COC(=O)C=CC(=O)N(C)C 1626a_100102631434_100016283253 [0,2,0,0,0,0|1,0,0]=3 560 B10R0.13 C=C(NC(=O)C)C(=O)N(C)C 240690a_100102631434_100000758921 [0,2,0,0,0,0|2,0,0]=4 561 B10R0.13 CC(=CC(=O)C(C)C(=O)N)C 1458a_100000211388_100000702099 [0,2,0,0,0,0|1,0,1]=4 562 B10R0.13 CC(=CC(=O)C(F)C(=O)N)C 1458a_100000211388_100009813875 [0,2,0,0,0,0|1,0,1]=4 563 B10R0.13 CC(=CC(=O)C(F)C(=O)[O-])C 1458a_100000211388_100020610796 [0,2,0,0,0,0|1,0,1]=4 564 B10R0.13 CC(=O)C(C)C(=O)C=C(C)C 1458a_100000211388_100000179758 [0,2,0,0,0,0|0,0,1]=3 565 B10R0.13 CC(=O)C(C)C(=O)C=C(C)Cl 1458a_200042562850_100000179758 [0,2,0,0,0,0|1,0,1]=4 566 B10R0.13 CC(=O)C(C)C(=O)C=C(C)I 1458a_100025716642_100000179758 [0,2,0,0,0,0|1,0,1]=4 567 B10R0.93 C=C(C)C(=O)CC(=O)C(=O)C 1458a_100000185857_100011261029 [0,2,0,0,0,0|0,0,2]=4 568 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,2,0,0,0,0|0,0,2]=4 569 B10R0.31 CC(=CC(=O)NS(=O)(=O)C)C 2740a_100000171171_100000211388 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,0,0,1,0,0|0,1,1]=4 571 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,0,0,1,0,0|1,1,0]=4 572 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,0,0,1,0,0|1,1,0]=4 573 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,0,0,1,0,0|1,1,0]=4 574 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,0,0,1,0,0|1,1,0]=4 575 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,1,0,0|2,0,0]=4 576 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [1,0,0,1,0,0|0,0,2]=4 578 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [1,0,0,1,0,0|1,0,1]=4 579 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [1,0,0,1,0,0|2,0,0]=4 580 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,1,0,0|0,0,2]=4 581 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,1,0,0|0,1,1]=4 582 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|0,0,2]=4 583 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,1,0,0|1,0,1]=4 584 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|1,0,1]=4 585 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|0,0,2]=4 586 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,1,0,0|1,0,1]=4 587 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,1,0,0|1,0,1]=4 588 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|0,0,2]=4 589 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,1,0,0|1,0,1]=4 590 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|1,0,1]=4 591 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|0,0,2]=4 592 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|0,0,2]=4 593 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|0,0,2]=4 594 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|0,0,2]=4 595 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|0,0,2]=4 596 B10R1.54 CC(=Cc1c[nH]c(n1)C)C 271570a_100102525489_100009814057 [0,0,0,1,0,1|1,0,0]=3 597 B10R1.54 CC(=Cc1cc([nH]n1)C)C 271570a_100102525489_100015199547 [0,0,0,1,0,1|2,0,0]=4 598 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,0,0,1,0,1|1,0,0]=3 599 B10R1.54 CC(=Cc1cc(ns1)C)C 271570a_100102525489_100009815735 [0,0,0,1,0,1|2,0,0]=4 600 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,0,0,1,0,1|1,1,0]=4 601 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,0,0,1,0,1|0,1,0]=3 602 B10R1.54 CC(=Cc1ccn(n1)C)C 271570a_100102525489_100000752436 [0,0,0,1,0,1|2,0,0]=4 603 B10R1.54 CC(=Cc1cn(cn1)C)C 271570a_100102525489_100000040308 [0,0,0,1,0,1|2,0,0]=4 604 B10R1.54 CC(=Cc1cnc(s1)C)C 271570a_100102525489_100000764884 [0,0,0,1,0,1|0,1,0]=3 605 B10R1.54 CC(=Cc1cnn(c1)C)C 271570a_100102525489_100000748075 [0,0,0,1,0,1|2,0,0]=4 606 B10R1.54 CC(=Cc1cnn(n1)C)C 271570a_100102525489_100000733932 [0,0,0,1,0,1|2,0,0]=4 607 B10R1.54 CC(=Cc1csc(c1)C)C 271570a_100102525489_100000759034 [0,0,0,1,0,1|1,0,0]=3 608 B10R1.54 CC(=Cc1csc(n1)C)C 271570a_100102525489_100011934587 [0,0,0,1,0,1|1,0,0]=3 609 B10R1.54 CC(=Cc1csc(n1)N)C 271570a_100102525489_100011998049 [0,0,0,1,0,1|2,0,0]=4 610 B10R1.54 CC(=Cc1n[nH]c(n1)C)C 271570a_100102525489_100000732540 [0,0,0,1,0,1|2,0,0]=4 611 B10R1.54 CC(=Cc1nc(c[nH]1)C)C 271570a_100102525489_100161115468 [0,0,0,1,0,1|1,0,0]=3 612 B10R1.54 CC(=Cc1nc(cs1)Br)C 271570a_100102525489_200016082925 [0,0,0,1,0,1|2,0,0]=4 613 B10R1.54 CC(=Cc1nc(cs1)C)C 271570a_100102525489_100011291629 [0,0,0,1,0,1|1,0,0]=3 614 B10R1.54 CC(=Cc1nc(cs1)N)C 271570a_100102525489_200015188442 [0,0,0,1,0,1|2,0,0]=4 615 B10R1.54 CC(=Cc1nc(ns1)C)C 271570a_100102525489_100000709739 [0,0,0,1,0,1|2,0,0]=4 616 B10R1.54 CC(=Cc1ncc(s1)C)C 271570a_100102525489_100000690809 [0,0,0,1,0,1|0,1,0]=3 617 B10R1.54 CC(=Cc1ncn(n1)C)C 271570a_100102525489_100009819955 [0,0,0,1,0,1|2,0,0]=4 618 B10R1.54 CC(=Cc1nnc(o1)C)C 271570a_100102525489_100000708914 [0,0,0,1,0,1|1,0,1]=4 619 B10R1.54 CC(=Cc1nnc(s1)C)C 271570a_100102525489_100000686958 [0,0,0,1,0,1|1,1,0]=4 620 B10R1.54 CC(=Cc1noc(n1)C)C 271570a_100102525489_100012003639 [0,0,0,1,0,1|2,0,0]=4 621 B10R1.54 CC(=O)C[NH+]1C=CN(C1)C 1458a_100121571517_200000210301 [0,0,0,1,0,1|1,0,1]=4 622 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,0,0,1,0,1|2,0,0]=4 623 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,0,0,1,0,1|2,0,0]=4 624 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,0,0,1,0,1|2,0,0]=4 625 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,0,0,1,0,1|2,0,0]=4 626 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,0,0,1,0,1|2,0,0]=4 627 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,0,0,1,0,1|1,0,1]=4 628 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,0,0,1,0,1|1,0,1]=4 629 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,0,0,1,0,1|1,0,1]=4 630 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,0,0,1,0,1|1,0,1]=4 631 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,0,0,1,0,1|2,0,0]=4 632 B10R1.54 CN1C=C[NH+](C1)CC(=O)[13CH3] 1458a_100121571517_200025704644 [0,0,0,1,0,1|1,0,1]=4 633 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,0,0,1,0,1|1,0,1]=4 634 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,0,0,1,0,1|1,0,1]=4 635 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,0,0,1,0,1|1,0,1]=4 636 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,0,0,1,0,1|1,0,1]=4 637 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,0,0,1,0,1|1,0,1]=4 638 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,0,0,1,0,1|1,0,1]=4 639 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,0,0,1,0,1|1,0,1]=4 640 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,0,0,1,0,1|1,1,0]=4 641 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,0,0,1,0,1|1,1,0]=4 642 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,0,0,1,0,1|1,1,0]=4 643 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,0,0,1,0,1|1,1,0]=4 644 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,0,0,1,0,1|1,1,0]=4 645 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000031368_100000210206 [0,0,0,1,0,1|0,1,1]=4 646 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000210206_100000031368 [0,0,0,1,0,1|0,1,1]=4 647 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,0,0,1,0,1|1,0,1]=4 648 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,0,0,1,0,1|1,0,1]=4 649 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,0,0,1,0,1|2,0,0]=4 650 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,0,0,1,0,1|2,0,0]=4 651 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,0,0,1,0,1|1,0,1]=4 652 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,0,0,1,0,1|0,0,2]=4 653 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [0,0,0,1,0,1|1,0,1]=4 654 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,0,0,1,0,1|1,0,1]=4 655 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,0,1,0,1|1,0,1]=4 656 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,0,0,1,0,1|1,0,1]=4 657 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,0,0,1,0,1|1,0,1]=4 658 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,0,0,1,0,1|1,0,1]=4 659 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,0,0,1,0,1|1,0,1]=4 660 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,0,0,1,0,1|1,0,1]=4 661 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,0,0,1,0,1|1,0,1]=4 662 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [0,0,0,1,0,1|0,0,2]=4 663 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [0,0,0,1,0,1|0,0,2]=4 664 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [0,0,0,1,0,1|0,0,2]=4 665 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [0,0,0,1,0,1|0,0,2]=4 666 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,1,0,1|1,0,1]=4 667 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,1,0,1|1,0,1]=4 668 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,1,0,1|0,0,1]=3 669 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,1,0,1|1,0,1]=4 670 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,1,0,1|1,0,1]=4 671 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,1,0,1|1,0,1]=4 672 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,1,0,1|1,0,1]=4 673 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,1,0,1|1,0,1]=4 674 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,0,1,0,1|2,0,0]=4 675 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,0,1,0,1|1,0,1]=4 676 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,0,0,1,0,1|2,0,0]=4 677 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,1,0,1|1,0,1]=4 678 B10R1.113 CN(C)c1cc[nH]c(=O)c1 27a_100102631434_100000061649 [0,0,0,1,0,1|1,0,1]=4 679 B10R1.113 CN(C)c1cc[nH]c(=O)n1 27a_100102631434_200000134032 [0,0,0,1,0,1|2,0,0]=4 680 B10R1.113 Cc1cc(ccn1)N(C)C 27a_100102631434_100000758586 [0,0,0,1,0,1|2,0,0]=4 681 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,1,0,1|0,0,1]=3 682 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,0,0,1,0,1|2,0,0]=4 683 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,0,0,1,0,1|2,0,0]=4 684 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,0,0,1,0,1|2,0,0]=4 685 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,0,0,1,0,1|2,0,0]=4 686 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,0,0,1,0,1|2,0,0]=4 687 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,0,0,1,0,1|2,0,0]=4 688 B10R1.113 Cc1ccnc(n1)N(C)C 27a_100102631434_100000750684 [0,0,0,1,0,1|2,0,0]=4 689 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [0,0,0,1,0,1|2,0,0]=4 690 B10R1.113 Cc1nccc(n1)N(C)C 27a_100102631434_100000749937 [0,0,0,1,0,1|2,0,0]=4 691 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,1,0,1|1,0,1]=4 692 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,1,0,1|1,0,1]=4 693 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,1,0,1|1,0,1]=4 694 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,1,0,1|1,0,1]=4 695 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,1,0,1|1,0,1]=4 696 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,1,0,0|0,0,2]=4 697 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,1,0,1,0,0|1,0,1]=4 698 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,1,0,0|1,0,1]=4 699 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,1,0,0|1,0,1]=4 700 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,1,0,0|1,0,1]=4 701 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,1,0,1,0,0|1,0,1]=4 702 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,1,0,0|0,0,2]=4 703 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [0,1,0,1,0,0|1,0,1]=4 704 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [0,1,0,1,0,0|1,0,1]=4 705 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [0,1,0,1,0,0|1,0,1]=4 706 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [0,1,0,1,0,0|1,0,1]=4 707 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,1,0,0|1,0,1]=4 708 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,1,0,0|0,0,1]=3 709 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,1,0,0|1,0,1]=4 710 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,1,0,0|1,0,1]=4 711 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,1,0,0|1,0,1]=4 712 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,1,0,0|1,0,1]=4 713 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,1,0,0|1,0,1]=4 714 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,1,0,0|1,0,1]=4 715 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,1,0,0|1,0,1]=4 716 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,1,0,0|0,0,2]=4 717 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,1,0,0|0,0,1]=3 718 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,1,0,1,0,0|2,0,0]=4 719 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,1,0,1,0,0|2,0,0]=4 720 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,1,0,1,0,0|2,0,0]=4 721 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,1,0,1,0,0|2,0,0]=4 722 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,1,0,1,0,0|2,0,0]=4 723 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,1,0,1,0,0|2,0,0]=4 724 B10R1.13 Cc1ccc(nn1)N(C)C 27a_100102631434_100000744512 [0,1,0,1,0,0|2,0,0]=4 725 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,1,0,0|1,0,1]=4 726 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,1,0,0|1,0,1]=4 727 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,1,0,0|1,0,1]=4 728 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,1,0,0|1,0,1]=4 729 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,1,0,0|1,0,1]=4 730 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,1,0,0|2,0,0]=4 731 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,1,0,0|2,0,0]=4 732 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,1,0,0|2,0,0]=4 733 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,1,0,1,0,0|0,0,2]=4 734 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,1,0,1,0,0|0,1,1]=4 735 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,1,0,0|2,0,0]=4 736 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,1,0,0|2,0,0]=4 737 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,1,0,0|2,0,0]=4 738 B10R1.31 C=C(C)c1ccc(o1)C=O 271570a_100000694244_100000185145 [0,1,0,1,0,0|1,0,1]=4 739 B10R1.31 C=C(C)c1ccc(o1)CN 271570a_100000694244_100000708654 [0,1,0,1,0,0|0,0,2]=4 740 B10R1.31 C=C(C)c1ccc(o1)CO 271570a_100000694244_100000246276 [0,1,0,1,0,0|0,0,2]=4 741 B10R1.31 C=C(C)c1ccc(s1)C=O 271570a_100000694244_100000179771 [0,1,0,1,0,0|1,0,1]=4 742 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,1,0,1,0,0|0,1,1]=4 743 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,1,0,1,0,0|0,1,1]=4 744 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,1,0,1,0,0|0,1,1]=4 745 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,1,0,1,0,0|1,0,1]=4 746 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,1,0,1,0,0|1,0,1]=4 747 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,1,0,1,0,0|1,0,1]=4 748 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,1,0,1,0,0|1,0,1]=4 749 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,1,0,1,0,0|1,0,1]=4 750 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,1,0,1,0,0|1,0,0]=3 751 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,1,0,1,0,0|1,0,0]=3 752 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,1,0,1,0,0|1,0,0]=3 753 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,1,0,1,0,0|1,0,0]=3 754 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,1,0,1,0,0|2,0,0]=4 755 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,1,0,1,0,0|2,0,0]=4 756 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,1,0,1,0,0|1,0,1]=4 757 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,1,0,1,0,0|1,0,1]=4 758 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,1,0,1,0,0|2,0,0]=4 759 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,1,0,1,0,0|2,0,0]=4 760 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,1,0,1,0,0|2,0,0]=4 761 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,1,0,1,0,0|2,0,0]=4 762 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,1,0,1,0,0|2,0,0]=4 763 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,1,0,1,0,0|1,0,1]=4 764 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,1,0,1,0,0|1,0,1]=4 765 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,1,0,1,0,0|1,0,0]=3 766 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,1,0,1,0,0|1,0,0]=3 767 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,1,0,1,0,0|1,0,0]=3 768 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,1,0,1,0,0|1,0,0]=3 769 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,1,0,1,0,0|2,0,0]=4 770 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,1,0,1,0,0|2,0,0]=4 771 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,1,0,1,0,0|2,0,0]=4 772 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,1,0,1,0,0|1,0,1]=4 773 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,1,0,1,0,0|1,0,1]=4 774 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,1,0,1,0,0|2,0,0]=4 775 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,1,0,1,0,0|2,0,0]=4 776 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,1,0,1,0,0|2,0,0]=4 777 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,1,0,1,0,0|2,0,0]=4 778 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,1,0,1,0,0|2,0,0]=4 779 B10R1.194 C=C(C)c1cnc(n1C)C 271570a_100000694244_100000762843 [0,1,0,1,0,0|2,0,0]=4 780 B10R1.194 C=C(C)c1csc(c1C)C 271570a_100000694244_100009820295 [0,1,0,1,0,0|2,0,0]=4 781 B10R1.194 C=C(C)c1ncc(n1C)C 271570a_100000694244_100009816807 [0,1,0,1,0,0|2,0,0]=4 782 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,1,0,0|2,0,0]=4 783 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,1,0,1,0,0|0,1,1]=4 784 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,1,0,0|1,0,1]=4 785 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,1,0,1,0,0|0,1,1]=4 786 B10R2.14 Cc1ccc(s1)C2CC2 271570a_100011220607_100000761539 [0,0,0,2,0,0|0,1,1]=4 787 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,2,0|0,0,2]=4 788 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,2,0|0,0,0]=2 789 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,2,0|1,0,0]=3 790 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,2,0|1,0,0]=3 791 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,2,0|0,0,0]=2 792 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,2,0|1,0,0]=3 793 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,2,0|1,0,0]=3 794 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,2,0|2,0,0]=4 795 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,2,0|0,0,2]=4 796 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,2,0|0,0,2]=4 797 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,2,0|1,0,1]=4 798 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,2,0|1,0,1]=4 799 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,2,0|1,0,1]=4 800 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,2,0|1,0,1]=4 801 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,2,0|1,0,1]=4 802 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,2,0|1,0,1]=4 803 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,2,0|0,0,2]=4 804 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,2,0|1,0,1]=4 805 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,2,0|1,0,1]=4 806 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,0,0,2,0|2,0,0]=4 807 B10R0.97 CC(=CCNCC=C(C)C)C 34a_100000718196_100000761012 [0,0,0,0,0,2|1,0,1]=4 808 B10R0.97 CC(=CCOCC=C(C)C)C 34a_100000753907_100000761012 [0,0,0,0,0,2|1,0,1]=4 809 B10R0.97 CC(=CCSCC=C(C)C)C 62a_100000761012_100000761012 [0,0,0,0,0,2|1,0,1]=4 810 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,0,0,0,0,2|0,0,2]=4 811 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,0,0,0,0,2|0,0,2]=4 812 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,0,0,0,0,2|0,0,2]=4 813 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,0,0,0,0,2|0,0,2]=4 814 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,0,0,0,0,2|0,0,2]=4 815 B10R0.97 CC(=O)NN=CC=CN(C)C 4a_100000189765_100000735856 [0,0,0,0,0,2|1,0,0]=3 816 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,0,0,0,0,2|0,0,2]=4 817 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,0,0,0,0,2|0,0,2]=4 818 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,0,0,0,0,2|0,0,2]=4 819 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,0,0,0,0,2|0,0,2]=4