0 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,0,0,0,0,0|1,0,1]=2 36 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [0,0,0,0,0,0|1,1,1]=3 37 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [0,0,0,0,0,0|1,1,1]=3 38 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,0,0,0,0,0|1,0,3]=4 42 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,0,0,0,0,0|1,0,3]=4 43 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,0,0,0,0,0|1,0,1]=2 58 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,0,0,0,0,0|1,0,1]=2 59 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,0,0,0,0,0|1,0,3]=4 65 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,0,0,0,0,0|1,0,3]=4 66 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,0,0,0,0,0|1,0,3]=4 67 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,0,0,0,0,0|1,1,1]=3 74 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,0,0,0,0,0|1,1,1]=3 75 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,0,0,0,0,0|3,0,0]=3 80 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|0,0,3]=4 86 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|0,0,3]=4 87 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|0,0,3]=4 88 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|1,0,2]=4 90 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|0,0,1]=2 114 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|0,1,1]=3 115 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|0,1,1]=3 116 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|1,0,2]=4 117 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|1,0,2]=4 118 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|0,0,3]=4 120 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|0,0,3]=4 121 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|1,0,2]=4 122 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|1,0,1]=3 123 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|1,0,1]=3 124 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|1,0,1]=3 125 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|1,0,1]=3 127 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|1,0,2]=4 135 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|1,0,2]=4 136 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|1,0,2]=4 142 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|1,0,2]=4 143 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|0,0,1]=2 144 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|0,0,1]=2 145 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|1,0,2]=4 147 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|1,0,2]=4 149 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|0,0,3]=4 151 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|0,0,3]=4 152 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|0,0,3]=4 153 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|1,0,2]=4 154 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|1,0,2]=4 155 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|1,0,2]=4 156 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|1,0,2]=4 157 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|1,0,2]=4 159 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|1,0,2]=4 162 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|1,0,2]=4 163 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|1,0,2]=4 164 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|0,1,1]=3 165 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|0,1,1]=3 166 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|1,0,1]=3 170 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,0,0,0,0|1,0,1]=3 171 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|1,1,1]=4 172 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|1,1,1]=4 173 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,0,0,0,0,0|1,1,1]=4 174 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,0,0,0,0,0|1,1,1]=4 175 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|1,1,1]=4 188 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|1,1,1]=4 189 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,0,0,0,0,0|1,1,1]=4 190 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,0,0,0,0,0|1,1,1]=4 191 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,0|1,0,1]=3 200 B8R0.6 C#C/C(=C\COCC)/C 34a_100016990848_100000210202 [0,1,0,0,0,0|1,0,2]=4 201 B8R0.6 C#C/C(=C\COCF)/C 34a_100016990848_100015361967 [0,1,0,0,0,0|1,0,2]=4 202 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.7 C#CCNCC=C(C)C 34a_100000212058_100000761012 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.7 C#CCNCC=C(C)C 34a_100000718196_100000184674 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.7 C#CCOCC=C(C)C 34a_100000210247_100000761012 [0,1,0,0,0,0|1,0,1]=3 211 B8R0.7 C#CCOCC=C(C)C 34a_100000753907_100000184674 [0,1,0,0,0,0|1,0,1]=3 212 B8R0.7 C#CCSCC=C(C)C 62a_100000038162_100000761012 [0,1,0,0,0,0|1,1,1]=4 213 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,1,0,0,0,0|0,0,2]=3 215 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,1,0,0,0,0|0,1,2]=4 216 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,1,0,0,0,0|0,1,2]=4 217 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [0,1,0,0,0,0|1,0,0]=2 221 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,1,0,0,0,0|1,0,2]=4 228 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,1,0,0,0,0|1,0,2]=4 229 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,1,0,0,0,0|1,0,2]=4 230 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [0,1,0,0,0,0|1,1,0]=3 233 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [0,1,0,0,0,0|1,1,0]=3 234 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [0,1,0,0,0,0|1,0,2]=4 235 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [0,1,0,0,0,0|1,0,2]=4 240 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [0,1,0,0,0,0|1,1,1]=4 241 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [0,1,0,0,0,0|1,1,1]=4 242 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,1,0,0,0,0|1,0,2]=4 247 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,1,0,0,0,0|1,0,2]=4 248 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,1,0,0,0,0|0,0,0]=1 249 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [0,1,0,0,0,0|1,0,1]=3 251 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [0,1,0,0,0,0|1,0,1]=3 252 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [0,1,0,0,0,0|0,0,2]=3 253 B8R0.7 CC(=CCSCC#N)C 62a_100000761012_100011215382 [0,1,0,0,0,0|1,1,1]=4 254 B8R0.7 CC(=CCSCC#N)C 62a_100011215382_100000761012 [0,1,0,0,0,0|1,1,1]=4 255 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,1,0,0,0,0|0,1,0]=2 256 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,1,0,0,0,0|0,1,0]=2 257 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [0,1,0,0,0,0|1,1,1]=4 258 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [0,1,0,0,0,0|1,1,1]=4 259 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,1,0,0,0,0|0,1,2]=4 260 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [0,1,0,0,0,0|0,1,2]=4 261 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,1,0,0,0,0|1,0,1]=3 262 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,1,0,0,0,0|1,0,1]=3 263 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,0,0,0,0|1,1,1]=4 264 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,0,0,0,0|1,1,1]=4 265 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,1,0,0,0,0|2,1,0]=4 266 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,1,0,0,0,0|2,1,0]=4 267 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,1,0,0,0,0|1,0,2]=4 268 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,1,0,0,0,0|0,0,2]=3 269 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,1,0,0,0,0|0,0,2]=3 270 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,0,0,0,0|0,1,2]=4 271 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,0,0,0,0|0,1,2]=4 272 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,1,0,0,0,0|1,1,1]=4 274 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,1,0,0,0,0|1,1,1]=4 275 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,1,0,0,0,0|1,0,2]=4 276 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,1,0,0,0,0|1,0,2]=4 277 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,1,0,0,0,0|1,0,1]=3 279 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,1,0,0,0,0|1,0,1]=3 280 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,1,0,0,0,0|1,1,1]=4 281 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,1,0,0,0,0|1,1,1]=4 282 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,1,0,0,0,0|1,0,1]=3 284 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,1,0,0,0,0|1,1,1]=4 285 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,1,0,0,0,0|1,1,1]=4 286 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,1,0,0,0,0|1,1,1]=4 289 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [0,1,0,0,0,0|0,1,2]=4 290 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [0,1,0,0,0,0|0,1,2]=4 291 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,1,0,0,0,0|1,1,1]=4 292 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [0,1,0,0,0,0|0,1,1]=3 293 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [0,1,0,0,0,0|0,2,1]=4 294 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [0,1,0,0,0,0|0,2,1]=4 295 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,1,0,0,0,0|1,0,2]=4 296 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|2,0,1]=4 299 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|2,0,1]=4 300 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|2,0,1]=4 301 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,1,0,0,0,0|2,0,1]=4 302 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,1,0,0,0,0|3,0,0]=4 307 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,1,0,0,0,0|3,0,0]=4 308 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|2,0,1]=4 309 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,0,0,0,0|3,0,0]=4 311 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,0,0,0,0|3,0,0]=4 312 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,0,0,0,0|3,0,0]=4 313 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,0,0,0,0|3,0,0]=4 314 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|1,0,2]=4 316 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|1,0,2]=4 317 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,0|2,0,1]=4 325 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,0|1,0,2]=4 326 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|2,0,1]=4 327 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,1,0,0,0,0|3,0,0]=4 336 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,1,0,0,0,0|1,0,1]=3 341 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,1,0,0,0,0|1,0,1]=3 342 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,1,0,0,0,0|1,1,1]=4 343 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,1,0,0,0,0|1,1,1]=4 344 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,1,0,0,0,0|1,0,2]=4 345 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,1,0,0,0,0|1,0,0]=2 346 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,0,0,0,0|2,0,1]=4 349 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,0,0,0,0|1,0,2]=4 350 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,0,0,0,0|1,0,2]=4 351 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,1,0,0,0,0|1,0,1]=3 358 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,1,0,0,0,0|1,0,1]=3 359 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,1,0,0,0,0|1,1,1]=4 363 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,1,0,0,0,0|1,0,0]=2 367 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,1,0,0,0,0|1,0,0]=2 368 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,1,0,0,0,0|1,0,0]=2 369 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,0,0,0,0|1,0,2]=4 374 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,0,0,0,0|1,0,2]=4 375 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,0,0,0,0|1,0,2]=4 376 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,0,0,0,0|1,0,2]=4 377 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,1,0,0,0,0|1,0,1]=3 384 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,1,0,0,0,0|1,0,1]=3 385 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,1,0,0,0,0|1,0,1]=3 386 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,1,0,0,0,0|1,0,1]=3 387 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,1,0,0,0,0|1,1,1]=4 388 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,1,0,0,0,0|1,0,2]=4 389 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,0,0,0,0|1,0,2]=4 390 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,1,0,0,0,0|1,0,1]=3 402 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,1,0,0,0,0|2,0,1]=4 404 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 405 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 406 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 407 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 408 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 409 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 410 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|2,0,1]=4 411 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|1,0,1]=3 412 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|2,0,1]=4 413 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|1,0,1]=3 414 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,1,0,0|1,0,2]=4 415 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,1,0,0|2,0,1]=4 416 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,1,0,0|2,0,1]=4 417 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,0|2,0,1]=4 418 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,1,0,0|2,0,1]=4 419 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|0,0,2]=4 420 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|0,0,2]=4 421 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|0,0,2]=4 422 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 435 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 436 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,1]=4 437 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|0,0,2]=4 438 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 441 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 442 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 443 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 444 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 445 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 448 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,1]=4 449 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,1]=4 451 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|0,0,2]=4 452 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|0,0,2]=4 453 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 461 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|0,0,1]=3 462 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|0,0,1]=3 463 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|0,0,1]=3 464 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|0,1,1]=4 465 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|0,1,1]=4 466 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|0,1,1]=4 467 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|0,1,1]=4 468 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [2,0,0,0,0,0|1,0,1]=4 471 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 472 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 473 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 474 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|0,0,1]=3 475 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|0,1,1]=4 476 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|0,1,1]=4 477 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|0,1,1]=4 478 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|0,1,1]=4 479 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 480 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 481 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 482 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 483 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,1,0,0,0,0|0,0,1]=3 484 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [1,1,0,0,0,0|0,0,2]=4 486 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [1,1,0,0,0,0|0,0,2]=4 487 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|0,0,2]=4 510 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|0,0,2]=4 511 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|0,0,2]=4 517 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|0,0,2]=4 518 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|0,0,2]=4 519 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|1,0,1]=4 523 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|0,0,0]=2 524 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|0,0,2]=4 527 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|0,0,0]=2 528 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|0,0,0]=2 529 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 530 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,0,2]=4 531 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,0,2]=4 532 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|1,0,1]=4 533 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|1,0,1]=4 534 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|1,1,0]=4 540 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|1,0,1]=4 549 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|1,0,0]=3 551 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|1,1,0]=4 552 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|0,0,2]=4 553 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,0,2]=4 554 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|1,0,1]=4 564 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|1,0,1]=4 565 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|1,0,1]=4 568 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|1,0,1]=4 575 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|1,0,1]=4 578 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|1,0,1]=4 579 B7R0.1 C#CCOC/C=C/C 34a_100000210247_100102629194 [1,1,0,0,0,0|1,0,1]=4 580 B7R0.1 C#CCOC/C=C/C 34a_100016270725_100000184674 [1,1,0,0,0,0|1,0,1]=4 581 B7R0.1 C#CCOCC=CC 34a_100000210247_100000070051 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,1,0,0,0,0|0,0,0]=2 585 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|1,0,1]=4 587 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|1,0,1]=4 588 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,1,0,0,0,0|1,0,1]=4 589 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,1,0,0,0,0|1,0,1]=4 590 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|0,0,2]=4 591 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,1,0,0,0,0|0,1,1]=4 592 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,1,0,0,0,0|0,1,0]=3 593 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,1,0,0,0,0|0,1,0]=3 594 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,1,0,0,0,0|0,0,2]=4 595 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [1,1,0,0,0,0|1,0,0]=3 597 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [1,1,0,0,0,0|1,1,0]=4 600 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [1,1,0,0,0,0|1,1,0]=4 601 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [1,1,0,0,0,0|1,1,0]=4 602 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [1,1,0,0,0,0|1,1,0]=4 603 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [1,1,0,0,0,0|0,0,2]=4 604 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|1,0,1]=4 606 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,1,0,0,0,0|1,0,1]=4 607 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,1,0,0,0,0|0,1,0]=3 611 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,1,0,0,0,0|0,1,0]=3 612 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|0,0,2]=4 613 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|0,0,2]=4 614 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [1,1,0,0,0,0|1,0,1]=4 619 B9R0.4 C#CCOC(C)C=C(C)C 34a_100000717055_100000184674 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,2,0,0,0,0|2,0,0]=4 621 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.4 C=CCOC(C)C=C(C)C 34a_100000717055_100015514636 [0,2,0,0,0,0|1,0,0]=3 623 B9R0.4 CC(=CC(C)OCC=O)C 34a_100000717055_200009817547 [0,2,0,0,0,0|0,0,0]=2 624 B9R0.4 CC(=CC(C)OCCF)C 34a_100000717055_100011217306 [0,2,0,0,0,0|1,0,1]=4 625 B9R0.4 CC(=CC(C)OCCO)C 34a_100000717055_100000211926 [0,2,0,0,0,0|0,0,2]=4 626 B9R0.4 CC(C)CC(C)OCC=O 34a_100000211805_200009817547 [0,2,0,0,0,0|0,0,2]=4 627 B9R0.4 CC(C)CC(C)OCC=O 7a_100000211805_200015260668 [0,2,0,0,0,0|0,0,2]=4 628 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,2,0,0,0,0|2,0,0]=4 629 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,2,0,0,0,0|1,0,1]=4 630 B9R0.4 CSCOC(C)C=C(C)C 34a_100000717055_100011218213 [0,2,0,0,0,0|0,1,1]=4 631 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,2,0,0,0,0|1,0,1]=4 633 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,2,0,0,0,0|1,0,1]=4 634 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,2,0,0,0,0|1,0,1]=4 636 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,2,0,0,0,0|1,0,0]=3 637 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [0,2,0,0,0,0|1,0,1]=4 640 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,2,0,0,0,0|2,0,0]=4 641 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,2,0,0,0,0|1,0,0]=3 642 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,2,0,0,0,0|1,0,0]=3 643 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,2,0,0,0,0|1,0,1]=4 644 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,2,0,0,0,0|1,0,1]=4 645 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,2,0,0,0,0|1,0,1]=4 646 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,2,0,0,0,0|1,0,1]=4 647 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,2,0,0,0,0|1,0,1]=4 648 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [0,2,0,0,0,0|1,0,0]=3 649 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [0,2,0,0,0,0|1,1,0]=4 650 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,2,0,0,0,0|1,0,0]=3 651 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,2,0,0,0,0|1,0,0]=3 652 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [0,2,0,0,0,0|1,0,1]=4 653 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,2,0,0,0,0|0,0,2]=4 657 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,2,0,0,0,0|1,0,1]=4 658 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,2,0,0,0,0|1,0,1]=4 661 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,2,0,0,0,0|1,0,0]=3 664 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,2,0,0,0,0|1,0,1]=4 665 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,2,0,0,0,0|1,0,0]=3 667 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,2,0,0,0,0|1,0,0]=3 668 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,2,0,0,0,0|1,0,1]=4 670 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,2,0,0,0,0|1,0,1]=4 671 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,2,0,0,0,0|1,0,1]=4 672 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,2,0,0,0,0|1,0,1]=4 673 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,2,0,0,0,0|1,0,1]=4 674 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,2,0,0,0,0|1,0,1]=4 675 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,2,0,0,0,0|1,0,0]=3 676 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,2,0,0,0,0|1,0,0]=3 677 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,2,0,0,0,0|1,0,0]=3 678 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,2,0,0,0,0|1,0,0]=3 679 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,2,0,0,0,0|1,0,0]=3 680 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,2,0,0,0,0|1,0,0]=3 681 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,2,0,0,0,0|1,0,1]=4 685 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,2,0,0,0,0|1,0,1]=4 686 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,2,0,0,0,0|1,0,1]=4 687 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [0,2,0,0,0,0|2,0,0]=4 688 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [0,2,0,0,0,0|2,0,0]=4 690 B9R0.46 C#C/C(=C\COCC=C)/C 34a_100016990848_100015514636 [0,2,0,0,0,0|1,0,1]=4 691 B9R0.46 C#C/C(=C\COCC=O)/C 34a_100016990848_200009817547 [0,2,0,0,0,0|0,0,1]=3 692 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,2,0,0,0,0|0,0,2]=4 693 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,2,0,0,0,0|1,0,1]=4 694 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [0,2,0,0,0,0|0,0,2]=4 695 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,2,0,0,0,0|2,0,0]=4 696 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [0,2,0,0,0,0|1,0,1]=4 697 B9R0.47 C=CCOCC(=O)N(C)C 34a_200000210373_100000692301 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.47 C=COCCC(=O)C(=C)C 1458a_100000185857_100000039644 [0,2,0,0,0,0|1,0,1]=4 699 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [0,2,0,0,0,0|1,0,1]=4 700 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,2,0,0,0,0|1,1,0]=4 701 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,2,0,0,0,0|1,1,0]=4 702 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,2,0,0,0,0|1,0,1]=4 704 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [0,2,0,0,0,0|0,1,1]=4 705 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [0,2,0,0,0,0|0,1,1]=4 706 B9R0.47 CC(C)[C@@H](N)COCC=O 34a_100011830312_200009817547 [0,2,0,0,0,0|0,0,2]=4 707 B9R0.47 CN(C)C(=O)CNCC=O 2230a_100015183351_200015260668 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.47 CN(C)C(=O)CSCC=O 62a_100000692301_200015260668 [0,2,0,0,0,0|1,1,0]=4 709 B9R0.47 CN(C)C(=O)CSCC=O 62a_200015260668_100000692301 [0,2,0,0,0,0|1,1,0]=4 710 B9R0.2 C#CCCOCC=C(C)C 34a_100000753907_100000688953 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.2 C#CCCOCC=C(C)C 34a_100011215631_100000761012 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.2 C#CCOCCC=C(C)C 34a_100000210247_100011217483 [0,2,0,0,0,0|1,0,1]=4 713 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [0,2,0,0,0,0|1,0,0]=3 715 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [0,2,0,0,0,0|1,0,0]=3 716 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [0,2,0,0,0,0|1,1,0]=4 717 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [0,2,0,0,0,0|1,1,0]=4 718 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [0,2,0,0,0,0|1,0,0]=3 721 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [0,2,0,0,0,0|1,0,0]=3 722 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [0,2,0,0,0,0|1,1,0]=4 723 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [0,2,0,0,0,0|1,1,0]=4 724 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [0,2,0,0,0,0|1,0,0]=3 726 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [0,2,0,0,0,0|1,1,0]=4 727 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [0,2,0,0,0,0|1,1,0]=4 728 B9R0.2 CC#CCOCC=C(C)C 34a_100000753907_100000748600 [0,2,0,0,0,0|1,0,1]=4 729 B9R0.2 CC#CCOCC=C(C)C 34a_100000761923_100000761012 [0,2,0,0,0,0|1,0,1]=4 730 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [0,2,0,0,0,0|1,0,1]=4 731 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [0,2,0,0,0,0|1,0,1]=4 732 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [0,2,0,0,0,0|0,1,0]=3 733 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [0,2,0,0,0,0|0,1,0]=3 734 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [0,2,0,0,0,0|1,0,1]=4 735 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [0,2,0,0,0,0|1,0,1]=4 736 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [0,2,0,0,0,0|1,0,1]=4 737 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [0,2,0,0,0,0|1,0,1]=4 738 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [0,2,0,0,0,0|1,0,1]=4 739 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,2,0,0,0,0|0,0,2]=4 740 B9R0.2 CC(=CCOCCON)C 34a_100000700252_100000761012 [0,2,0,0,0,0|0,0,2]=4 741 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,2,0,0,0,0|1,0,1]=4 742 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,2,0,0,0,0|1,0,1]=4 743 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,2,0,0,0,0|1,0,1]=4 744 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,2,0,0,0,0|0,0,2]=4 745 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,2,0,0,0,0|0,0,2]=4 746 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [0,2,0,0,0,0|0,0,2]=4 747 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [0,2,0,0,0,0|0,0,2]=4 748 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [0,2,0,0,0,0|0,0,2]=4 749 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [0,2,0,0,0,0|0,0,2]=4 750 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [0,2,0,0,0,0|0,0,2]=4 751 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [0,2,0,0,0,0|1,0,0]=3 753 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [0,2,0,0,0,0|1,1,0]=4 754 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [0,2,0,0,0,0|1,1,0]=4 755 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,2,0,0,0,0|1,0,1]=4 756 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,2,0,0,0,0|1,0,1]=4 757 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,2,0,0,0,0|1,0,1]=4 758 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,2,0,0,0,0|1,0,1]=4 759 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [0,2,0,0,0,0|1,0,1]=4 760 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [0,2,0,0,0,0|1,0,1]=4 761 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [0,2,0,0,0,0|0,0,2]=4 762 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [0,2,0,0,0,0|0,0,2]=4 763 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [0,2,0,0,0,0|0,1,1]=4 764 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [0,2,0,0,0,0|0,1,1]=4 765 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [0,2,0,0,0,0|0,1,1]=4 766 B9R0.38 CC(C)(C)CCOCC=O 7a_100000765024_200015260668 [0,2,0,0,0,0|0,0,2]=4 767 B9R0.38 C[N+](C)(C)CCOCC=O 7a_200020618287_200015260668 [0,2,0,0,0,0|1,0,1]=4 768 B9R0.38 C[Si](C)(C)CCOCC=O 7a_100000039746_200015260668 [0,2,0,0,0,0|0,1,1]=4 769 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [0,2,0,0,0,0|2,0,0]=4 772 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [0,2,0,0,0,0|2,0,0]=4 773 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [0,2,0,0,0,0|2,0,0]=4 775 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,2,0,0,0,0|2,0,0]=4 777 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,2,0,0,0,0|0,0,2]=4 778 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,2,0,0,0,0|0,0,2]=4 779 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,2,0,0,0,0|0,0,2]=4 780 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,2,0,0,0,0|1,0,0]=3 782 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,2,0,0,0,0|1,0,0]=3 783 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,2,0,0,0,0|0,0,2]=4 784 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [0,2,0,0,0,0|1,1,0]=4 785 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [0,2,0,0,0,0|1,1,0]=4 786 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,2,0,0,0,0|0,0,2]=4 787 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,2,0,0,0,0|0,0,2]=4 788 B9R0.55 C=C(F)CNCC=C(C)C 34a_100000718196_100009893438 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.55 C=C(F)COCC=C(C)C 34a_100000753907_100009893438 [0,2,0,0,0,0|1,0,0]=3 790 B9R0.55 C=C(F)COCC=C(C)C 34a_200010262243_100000761012 [0,2,0,0,0,0|1,0,0]=3 791 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000042424_100000761012 [0,2,0,0,0,0|1,1,0]=4 792 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000761012_100000042424 [0,2,0,0,0,0|1,1,0]=4 793 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,2,0,0,0,0|1,0,1]=4 794 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,2,0,0,0,0|1,0,0]=3 795 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,2,0,0,0,0|1,0,0]=3 796 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,2,0,0,0,0|1,0,0]=3 797 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,2,0,0,0,0|1,0,0]=3 798 B9R0.55 CC(=CCNC[N+](=O)[O-])C 34a_100000718196_100000761209 [0,2,0,0,0,0|1,0,1]=4 799 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,2,0,0,0,0|0,0,0]=2 800 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,2,0,0,0,0|0,0,0]=2 801 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,2,0,0,0,0|1,0,1]=4 802 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,2,0,0,0,0|1,0,1]=4 803 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,2,0,0,0,0|1,0,1]=4 804 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,2,0,0,0,0|1,0,1]=4 805 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,2,0,0,0,0|0,0,2]=4 806 B9R0.55 CC(=CCOCC(F)F)C 34a_100000743014_100000761012 [0,2,0,0,0,0|1,0,1]=4 807 B9R0.55 CC(=CCOCC(F)F)C 34a_100000753907_100011934356 [0,2,0,0,0,0|1,0,1]=4 808 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,2,0,0,0,0|1,0,1]=4 809 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,2,0,0,0,0|1,0,1]=4 810 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,2,0,0,0,0|0,0,2]=4 811 B9R0.55 CC(=CCOC[N+](=O)[O-])C 34a_100000753907_100000761209 [0,2,0,0,0,0|0,0,1]=3 812 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,2,0,0,0,0|0,1,0]=3 813 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,2,0,0,0,0|0,1,0]=3 814 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,2,0,0,0,0|0,1,0]=3 815 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,2,0,0,0,0|0,1,0]=3 816 B9R0.55 CC(=CCSC[N+](=O)[O-])C 62a_100000761012_100000761209 [0,2,0,0,0,0|0,1,1]=4 817 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,2,0,0,0,0|1,0,1]=4 818 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,2,0,0,0,0|1,0,1]=4 819 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,2,0,0,0,0|1,0,1]=4 820 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,2,0,0,0,0|1,0,1]=4 821 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,2,0,0,0,0|1,0,1]=4 822 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,2,0,0,0,0|0,0,0]=2 823 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,2,0,0,0,0|0,0,2]=4 824 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,2,0,0,0,0|1,0,1]=4 825 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,2,0,0,0,0|1,0,1]=4 826 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,2,0,0,0,0|1,0,1]=4 827 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,2,0,0,0,0|1,0,1]=4 828 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,2,0,0,0,0|1,0,1]=4 829 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,2,0,0,0,0|1,0,1]=4 830 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,2,0,0,0,0|1,0,1]=4 831 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,2,0,0,0,0|0,0,2]=4 832 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,2,0,0,0,0|0,0,2]=4 833 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,2,0,0,0,0|0,0,2]=4 834 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,2,0,0,0,0|0,0,2]=4 835 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,2,0,0,0,0|0,0,2]=4 836 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,2,0,0,0,0|0,0,2]=4 837 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,2,0,0,0,0|0,0,2]=4 838 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,2,0,0,0,0|0,0,2]=4 839 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,2,0,0,0,0|0,0,2]=4 840 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,2,0,0,0,0|0,0,2]=4 841 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,2,0,0,0,0|0,0,2]=4 842 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,2,0,0,0,0|0,0,2]=4 843 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,2,0,0,0,0|0,0,2]=4 844 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,2,0,0,0,0|0,0,2]=4 845 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,2,0,0,0,0|0,0,2]=4 846 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,2,0,0,0,0|0,0,2]=4 847 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,2,0,0,0,0|1,0,1]=4 848 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,2,0,0,0,0|1,0,1]=4 849 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,2,0,0,0,0|1,0,1]=4 852 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,2,0,0,0,0|2,0,0]=4 854 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,2,0,0,0,0|2,0,0]=4 857 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,2,0,0,0,0|2,0,0]=4 858 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,2,0,0,0,0|2,0,0]=4 859 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,2,0,0,0,0|0,0,1]=3 860 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,2,0,0,0,0|1,0,0]=3 861 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,2,0,0,0,0|1,0,0]=3 862 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,2,0,0,0,0|1,0,0]=3 863 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,2,0,0,0,0|1,0,1]=4 864 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,2,0,0,0,0|1,0,1]=4 865 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,2,0,0,0,0|0,1,1]=4 866 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,2,0,0,0,0|1,1,0]=4 867 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,2,0,0,0,0|1,1,0]=4 868 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,2,0,0,0,0|1,1,0]=4 869 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,2,0,0,0,0|1,0,1]=4 870 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,2,0,0,0,0|1,0,1]=4 871 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,2,0,0,0,0|2,0,0]=4 874 B9R0.7 CN(C)C(=O)CNC(=O)N 240690a_100102631434_100000184981 [0,2,0,0,0,0|2,0,0]=4 875 B9R0.7 CN(C)C(=O)CNC(=O)N 527a_100102631434_100000184981 [0,2,0,0,0,0|2,0,0]=4 876 B9R0.7 CN(C)C(=O)CSC(=O)N 240690a_100102631434_200015941356 [0,2,0,0,0,0|1,1,0]=4 877 B9R0.56 CC(=CCNS(=O)(=O)C)C 40a_100000718196_100000738038 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [0,2,0,0,0,0|1,0,1]=4 879 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [0,2,0,0,0,0|1,0,1]=4 880 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [0,2,0,0,0,0|1,0,1]=4 881 B9R0.56 CC(=CCOC(F)(F)F)C 34a_100000753907_200103152311 [0,2,0,0,0,0|1,0,1]=4 882 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,2,0,0,0,0|1,0,1]=4 883 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,2,0,0,0,0|1,0,1]=4 884 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,2,0,0,0,0|1,0,1]=4 885 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 886 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 887 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|1,0,1]=4 888 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|1,0,1]=4 889 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [0,1,0,1,0,0|1,0,1]=4 891 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|1,0,1]=4 894 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|1,0,1]=4 895 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|1,0,1]=4 896 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,1,0,1,0,0|1,0,1]=4 898 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,1]=4 899 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,1,0,1,0,0|0,0,2]=4 900 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,1,0,1,0,0|0,0,2]=4 901 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,1,0,1,0,0|0,0,2]=4 902 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,1,0,1,0,0|0,0,2]=4 903 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,1,0,1,0,0|1,0,1]=4 905 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,1,0,1,0,0|1,0,1]=4