0 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 C#CCC(=O)C=COC 1458a_100016268678_100000184674 [0,0,0,0,0,0|1,1,2]=4 2 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [0,0,0,0,0,0|1,1,2]=4 12 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,0,0,0,0,0|1,0,3]=4 15 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,0,0,0,0,0|2,0,1]=3 20 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,0,0,0,0,0|1,1,0]=2 40 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,0,0,0,0,0|1,1,2]=4 41 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,0,0,0,0,0|1,1,2]=4 42 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,0,0,0,0,0|1,0,2]=3 43 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,0,0,0,0,0|1,0,2]=3 44 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,0,0,0,0,0|2,1,1]=4 53 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,0,0,0,0,0|1,1,0]=2 71 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,0,0,0,0,0|2,0,2]=4 74 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,0,0,0,0,0|1,1,2]=4 76 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,0,0,0,0,0|1,1,2]=4 77 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,0,0,0,0,0|1,1,2]=4 78 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,0,0,0,0,0|1,0,2]=3 79 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,0,0,0,0,0|1,0,2]=3 80 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,0,0,0,0,0|1,0,2]=3 81 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,0,0,0,0,0|1,0,2]=3 82 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,0,0,0,0,0|1,0,2]=3 83 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,0,0,0,0,0|1,0,2]=3 84 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,0,0,0,0,0|1,0,2]=3 85 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,0,0,0,0,0|1,0,2]=3 101 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,0,0,0,0,0|1,0,2]=3 102 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,0,0,0,0,0|1,0,2]=3 103 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,0,0,0,0,0|0,1,2]=3 104 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,0,0,0,0,0|0,0,2]=2 105 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,0,0,0,0,0|0,0,2]=2 106 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,0,0,0,0,0|0,0,2]=2 107 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,0,0,0,0,0|0,0,2]=2 108 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,0,0,0,0,0|2,0,1]=3 109 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,0,0,0,0,0|2,0,1]=3 110 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,0,0,0,0,0|1,0,1]=2 113 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,0,0,0,0,0|1,0,1]=2 114 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,0,0,0,0,0|2,0,1]=3 115 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,0,0,0,0,0|2,1,0]=3 116 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,0,0,0,0,0|2,0,2]=4 117 B8R0.1 COC=CC(=O)CC#N 1458a_100016268678_100011214920 [0,0,0,0,0,0|2,1,1]=4 118 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,0,0,0,0,0|2,1,0]=3 119 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,0,0,0,0,0|2,1,0]=3 120 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,0,0,0,0,0|2,0,2]=4 123 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,0,0,0,0,0|2,0,2]=4 124 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,0,0,0,0,0|2,0,2]=4 125 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,2]=4 128 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,2]=4 130 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,2]=4 131 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|1,0,1]=3 134 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|1,1,1]=4 137 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|1,1,1]=4 138 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,1,1]=4 139 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,1,1]=4 140 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,1,1]=4 141 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,1,1]=4 142 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|0,0,3]=4 143 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|0,0,3]=4 144 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|0,0,3]=4 145 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|0,0,3]=4 146 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|0,0,3]=4 147 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|0,0,3]=4 148 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|1,0,2]=4 149 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|1,0,2]=4 150 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|1,0,1]=3 151 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,0,0,0,0|1,0,1]=3 153 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|1,0,2]=4 156 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|1,0,1]=3 157 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|1,0,1]=3 158 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|1,0,2]=4 166 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|0,1,0]=2 167 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|0,1,2]=4 168 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|0,1,2]=4 169 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|0,0,2]=3 170 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|0,0,2]=3 171 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|1,0,0]=2 172 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,0,0,0,0|2,0,0]=3 173 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|2,0,0]=3 174 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|2,0,0]=3 175 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|2,0,0]=3 176 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|1,0,2]=4 177 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|1,0,2]=4 178 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|3,0,0]=4 184 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|2,0,1]=4 186 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|2,0,1]=4 190 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,0,0,0,0,0|1,1,0]=3 193 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,0,0,0,0,0|1,1,0]=3 194 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|1,0,2]=4 195 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|1,0,2]=4 196 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|1,0,2]=4 197 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|1,0,2]=4 198 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|1,0,2]=4 199 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|1,0,2]=4 200 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|1,0,2]=4 201 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|1,0,2]=4 202 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|1,0,2]=4 203 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|1,0,2]=4 204 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|1,0,2]=4 205 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|0,0,2]=3 206 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|0,0,2]=3 207 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|0,0,2]=3 208 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|0,0,2]=3 209 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|1,0,1]=3 210 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|1,0,1]=3 211 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,0,0,0,0,0|1,1,0]=3 212 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|0,1,2]=4 213 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|1,0,2]=4 214 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|1,0,2]=4 215 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [1,0,0,0,0,0|1,0,2]=4 216 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,0,0,0,0,0|1,0,1]=3 217 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,0,0,0,0,0|1,0,2]=4 219 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|1,0,2]=4 220 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|1,0,2]=4 221 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 222 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 223 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,2]=4 224 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|0,0,3]=4 225 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|0,0,3]=4 226 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|0,0,3]=4 227 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|0,0,3]=4 228 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|1,0,2]=4 229 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|1,0,0]=2 231 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|2,0,0]=3 232 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|2,0,0]=3 233 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,0]=2 234 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,0]=2 235 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,0,0,0,0,0|2,0,0]=3 236 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|2,0,0]=3 237 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|2,0,0]=3 238 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|2,0,0]=3 239 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|1,0,2]=4 240 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|2,0,1]=4 241 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|2,0,1]=4 242 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|1,1,1]=4 243 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|1,0,1]=3 244 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|1,0,1]=3 245 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|1,0,1]=3 246 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|1,0,1]=3 247 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|1,0,1]=3 248 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,2]=4 249 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,2]=4 250 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,2]=4 251 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,0,0,0,0,0|2,0,0]=3 253 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,0,0,0,0,0|2,0,0]=3 254 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,0,0,0,0,0|2,0,0]=3 255 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,1]=4 257 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,1]=4 258 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,1]=4 259 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,1]=4 260 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|1,1,1]=4 261 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|1,1,1]=4 262 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|1,1,1]=4 263 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|1,1,1]=4 264 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|1,0,1]=3 265 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|1,0,1]=3 266 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|1,0,1]=3 267 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|1,0,1]=3 268 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|1,0,1]=3 269 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|1,0,1]=3 270 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|1,0,1]=3 271 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 273 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 275 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 276 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,1]=3 278 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,1]=3 279 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,1]=3 280 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|0,1,1]=3 281 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|0,0,1]=2 282 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|0,0,1]=2 283 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|0,0,1]=2 284 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|0,0,1]=2 285 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|2,0,1]=4 286 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|2,0,1]=4 287 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [1,0,0,0,0,0|3,0,0]=4 291 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [1,0,0,0,0,0|3,0,0]=4 293 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,0,0,0,0,0|3,0,0]=4 294 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [1,0,0,0,0,0|3,0,0]=4 295 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,0,0,0,0,0|2,0,1]=4 297 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,1,0,0,0,0|2,0,1]=4 299 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,1,0,0,0,0|2,0,1]=4 300 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,0|2,0,1]=4 301 B9R0.4 C=C(C)CC(=O)C=COC 1458a_100016268678_100000748629 [0,1,0,0,0,0|1,1,1]=4 302 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,1,0,0,0,0|2,0,1]=4 303 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,1,0,0,0,0|2,0,1]=4 304 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,1,0,0,0,0|2,0,1]=4 305 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,0|1,0,2]=4 306 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,0|1,0,2]=4 307 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,0|0,0,2]=3 308 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,0|0,0,2]=3 309 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,0|1,0,1]=3 310 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,0|1,0,1]=3 311 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,1,0,0,0,0|2,0,1]=4 312 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,1,0,0,0,0|2,0,1]=4 313 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,1,0,0,0,0|2,0,1]=4 314 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 317 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 318 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,1,0,0,0,0|2,0,1]=4 319 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,1,0,0,0,0|2,0,0]=3 320 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,1,0,0,0,0|2,0,0]=3 321 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [0,1,0,0,0,0|3,0,0]=4 322 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,1,0,0,0,0|2,0,0]=3 323 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,1,0,0,0,0|2,0,0]=3 324 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,1,0,0,0,0|2,0,0]=3 325 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,0|2,0,1]=4 328 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,0|2,0,1]=4 329 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,0|1,0,2]=4 330 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,0|1,0,2]=4 331 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [0,1,0,0,0,0|1,1,0]=3 332 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [0,1,0,0,0,0|1,1,0]=3 333 B9R0.4 COC=CC(=O)CC(F)F 1458a_100016268678_100011934356 [0,1,0,0,0,0|2,1,0]=4 334 B9R0.4 COC=CC(=O)NC(C)C 1626a_100138425928_100016268678 [0,1,0,0,0,0|1,1,0]=3 335 B9R0.4 COC=CC(=O)NC(C)C 240690a_100138425928_100016268678 [0,1,0,0,0,0|1,1,0]=3 336 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|1,0,2]=4 337 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|1,0,2]=4 338 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|1,0,2]=4 339 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|1,0,2]=4 340 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,0|1,0,2]=4 341 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,0|1,0,2]=4 342 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,0|1,0,2]=4 343 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,0|1,0,2]=4 344 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,0|1,0,2]=4 345 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,0|1,0,2]=4 346 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,0|0,0,2]=3 347 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,0|0,0,2]=3 348 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,0|1,0,1]=3 349 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,0|1,0,1]=3 350 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,0,0,0,0|2,0,0]=3 351 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,1,0,0,0,0|3,0,0]=4 352 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,1,0,0,0,0|3,0,0]=4 353 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,1,0,0,0,0|2,0,0]=3 354 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,1,0,0,0,0|2,0,0]=3 355 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,1,0,0,0,0|2,0,1]=4 357 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|2,0,0]=3 358 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,0,0,0,0|3,0,0]=4 360 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|2,0,0]=3 361 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|2,0,0]=3 362 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|2,0,0]=3 363 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,1,0,0,0,0|3,0,0]=4 364 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|2,0,0]=3 365 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,0,0,0,0|3,0,0]=4 366 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|3,0,0]=4 367 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,1,0,0,0,0|3,0,0]=4 368 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,1,0,0,0,0|2,0,1]=4 369 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,1,0,0,0,0|3,0,0]=4 370 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,1,0,0,0,0|1,1,0]=3 371 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,1,0,0,0,0|1,1,0]=3 372 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|1,0,2]=4 373 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|1,0,2]=4 374 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|1,0,2]=4 375 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|1,0,2]=4 376 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|1,0,2]=4 377 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 378 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 379 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 380 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|1,0,2]=4 381 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,1,0,0,0,0|2,0,1]=4 382 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,1,0,0,0,0|2,0,1]=4 383 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,0,0,0,0|2,0,0]=3 384 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,1,0,0,0,0|3,0,0]=4 385 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,0,0,0,0|3,0,0]=4 386 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,0,0,0,0|2,0,0]=3 387 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,0,0,0,0|2,0,0]=3 388 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,1,0,0,0,0|3,0,0]=4 389 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,2]=4 390 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,2]=4 391 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,2]=4 392 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,1,0,0,0,0|1,1,0]=3 393 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,1,0,0,0,0|1,1,0]=3 394 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,1,0,0,0,0|1,1,0]=3 395 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,1,0,0,0,0|1,1,0]=3 396 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 397 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 398 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|1,0,2]=4 399 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 400 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 401 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|1,0,2]=4 402 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|1,0,2]=4 403 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|1,0,2]=4 404 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,0,0,0,0|1,0,2]=4 405 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,0,0,0,0|1,0,2]=4 406 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|1,0,2]=4 407 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|1,0,2]=4 408 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|1,0,2]=4 409 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|1,0,2]=4 410 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|1,0,2]=4 411 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|1,0,2]=4 412 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|1,0,2]=4 413 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|1,0,2]=4 414 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|1,0,2]=4 415 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,2]=4 416 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,0,0,0,0|2,0,0]=3 417 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|1,0,0]=2 418 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|1,0,0]=2 419 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|1,0,0]=2 420 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|0,1,0]=2 421 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|0,0,0]=1 422 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|0,0,0]=1 423 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|0,0,0]=1 424 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|0,0,0]=1 425 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,2]=4 426 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,2]=4 427 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,2]=4 428 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|0,1,2]=4 429 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|0,1,2]=4 430 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|0,1,2]=4 431 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|0,0,2]=3 432 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|0,0,2]=3 433 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|0,0,2]=3 434 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|0,0,2]=3 435 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|0,0,2]=3 436 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|0,0,2]=3 437 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|0,0,2]=3 438 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|0,0,2]=3 439 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|2,0,1]=4 440 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|2,0,1]=4 441 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|2,0,1]=4 442 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|2,0,1]=4 443 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|2,0,1]=4 444 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|2,0,1]=4 445 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|2,0,1]=4 446 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,0,1]=4 447 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,0,1]=4 448 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|0,1,2]=4 449 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|0,1,2]=4 450 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|0,0,2]=3 451 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|0,0,2]=3 452 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|1,0,2]=4 453 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|0,1,2]=4 454 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|0,1,2]=4 455 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|0,0,2]=3 456 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|0,0,2]=3 457 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|1,0,1]=3 458 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,1,0,0,0,0|1,0,1]=3 459 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,1,0,0,0,0|2,1,0]=4 460 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,1,0,0,0,0|2,1,0]=4 461 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,1,0,0,0,0|2,1,0]=4 462 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|0,1,2]=4 463 B9R0.5 CNNC(=O)C=CCOC 22a_100016993582_100016285016 [0,1,0,0,0,0|2,1,0]=4 464 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [0,1,0,0,0,0|2,1,0]=4 465 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [0,1,0,0,0,0|2,1,0]=4 466 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,0,0,0,0|2,0,1]=4 467 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,1,0,0,0,0|2,0,1]=4 468 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,1,0,0,0,0|2,0,1]=4 469 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [0,1,0,0,0,0|2,0,1]=4 470 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,0,0,0,0|2,0,1]=4 471 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,0,0,0,0|2,0,1]=4 472 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,1,0,0,0,0|2,0,1]=4 473 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 474 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 475 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 476 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,1,0,0,0,0|2,0,1]=4 477 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [0,1,0,0,0,0|1,1,0]=3 478 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|1,0,2]=4 479 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|1,0,2]=4 480 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|1,0,2]=4 481 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,1,0,0,0,0|2,0,0]=3 482 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,1,0,0,0,0|2,0,0]=3 483 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,1,0,0,0,0|2,0,0]=3 484 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,1,0,0,0,0|2,0,0]=3 485 B9R0.8 CCN(C)C(=O)C=COC 1626a_100000225621_100016268678 [0,1,0,0,0,0|1,1,0]=3 486 B9R0.8 CCN(C)C(=O)C=COC 240690a_100000225621_100016268678 [0,1,0,0,0,0|1,1,0]=3 487 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|1,0,2]=4 488 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|1,0,2]=4 489 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|1,0,2]=4 490 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|1,0,2]=4 491 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [0,1,0,0,0,0|2,0,1]=4 492 B9R0.18 C#CCCC(=O)C=COC 1458a_100016268678_100000753159 [0,1,0,0,0,0|1,1,1]=4 493 B9R0.18 C#CCNC(=O)C=CCC 11a_100000212058_100000212282 [0,1,0,0,0,0|2,0,1]=4 494 B9R0.18 C#CCNC(=O)C=CCC 1626a_100000212058_100000212282 [0,1,0,0,0,0|2,0,1]=4 495 B9R0.18 C#CCNC(=O)C=CCC 240690a_100000212058_100000212282 [0,1,0,0,0,0|2,0,1]=4 496 B9R0.18 C#CCNC(=O)C=COC 1626a_100000212058_100016268678 [0,1,0,0,0,0|1,1,1]=4 497 B9R0.18 C#CCNC(=O)C=COC 240690a_100000212058_100016268678 [0,1,0,0,0,0|1,1,1]=4 498 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,1,0,0,0,0|2,0,1]=4 499 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,1,0,0,0,0|2,0,1]=4 500 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [0,1,0,0,0,0|1,1,1]=4 501 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,0,0,0,0|2,0,1]=4 502 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,1,0,0,0,0|2,0,1]=4 503 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,1,0,0,0,0|2,0,1]=4 504 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,1,0,0,0,0|1,0,1]=3 505 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,1,0,0,0,0|1,1,1]=4 506 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,0,0,0,0|2,0,1]=4 507 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,1,0,0,0,0|2,0,1]=4 508 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,1,0,0,0,0|2,0,1]=4 509 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,1,0,0,0,0|2,0,1]=4 510 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,1,0,0,0,0|2,0,1]=4 511 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,1,0,0,0,0|2,0,1]=4 512 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,1,0,0,0,0|2,0,1]=4 513 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,1,0,0,0,0|2,0,1]=4 514 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [0,1,0,0,0,0|2,0,1]=4 515 B9R0.18 C=CCCC(=O)C=COC 1458a_100016268678_100000754431 [0,1,0,0,0,0|1,1,1]=4 516 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [0,1,0,0,0,0|2,0,1]=4 517 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.18 C=CCNC(=O)C=COC 1626a_100020586998_100016268678 [0,1,0,0,0,0|1,1,1]=4 519 B9R0.18 C=CCNC(=O)C=COC 240690a_100020586998_100016268678 [0,1,0,0,0,0|1,1,1]=4 520 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.18 CC#CCC(=O)C=COC 1458a_100016268678_100000748600 [0,1,0,0,0,0|1,1,1]=4 522 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,1,0,0,0,0|1,0,2]=4 523 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,1,0,0,0,0|2,0,1]=4 524 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,1,0,0,0,0|2,0,1]=4 525 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [0,1,0,0,0,0|1,1,1]=4 526 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,0,0,0,0|2,0,1]=4 527 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,0,0,0,0|2,0,1]=4 528 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,1,0,0,0,0|2,0,1]=4 529 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,1,0,0,0,0|2,0,1]=4 530 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,1,0,0,0,0|2,0,1]=4 531 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,1,0,0,0,0|2,0,1]=4 532 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,1,0,0,0,0|2,0,1]=4 533 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,1,0,0,0,0|2,0,1]=4 534 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,1,0,0,0,0|1,0,1]=3 535 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,1,0,0,0,0|1,1,1]=4 536 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 537 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 538 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 539 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,1,0,0,0,0|2,0,1]=4 540 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 541 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 542 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 543 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,1,0,0,0,0|2,0,1]=4 544 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,1,0,0,0,0|2,0,1]=4 545 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,1,0,0,0,0|2,0,1]=4 546 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,1,0,0,0,0|2,0,1]=4 547 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,1,0,0,0,0|3,0,0]=4 548 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,1,0,0,0,0|1,0,2]=4 549 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [0,1,0,0,0,0|2,0,1]=4 550 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,0,0,0,0|2,0,0]=3 551 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,1,0,0,0,0|2,0,0]=3 552 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,1,0,0,0,0|2,0,0]=3 553 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,1,0,0,0,0|2,0,0]=3 554 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,1,0,0,0,0|2,0,0]=3 555 B9R0.18 CCC=CC(=O)NCC#N 1626a_100000734998_100000212282 [0,1,0,0,0,0|2,0,1]=4 556 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,1,0,0,0,0|2,0,0]=3 557 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,1,0,0,0,0|2,0,0]=3 558 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,1,0,0,0,0|2,0,0]=3 559 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,1,0,0,0,0|2,0,0]=3 560 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,1,0,0,0,0|2,0,0]=3 561 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,1,0,0,0,0|2,0,0]=3 562 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,1,0,0,0,0|2,0,0]=3 563 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,1,0,0,0,0|2,0,0]=3 564 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,1,0,0,0,0|1,1,0]=3 565 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,0,0,0,0|1,0,2]=4 566 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,0,0,0,0|1,0,2]=4 567 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,0,0,0,0|1,0,2]=4 568 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,1,0,0,0,0|1,1,0]=3 569 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,1,0,0,0,0|1,1,0]=3 570 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 571 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 572 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 573 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,1,0,0,0,0|1,0,2]=4 574 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,1,0,0,0,0|2,0,1]=4 575 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,1,0,0,0,0|2,0,1]=4 576 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,1,0,0,0,0|2,0,1]=4 577 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,1,0,0,0,0|2,0,1]=4 578 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,1,0,0,0,0|2,0,1]=4 579 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,1,0,0,0,0|2,0,1]=4 582 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,1,0,0,0,0|2,0,1]=4 583 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,1,0,0,0,0|2,0,1]=4 584 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,1,0,0,0,0|2,0,1]=4 585 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,1,0,0,0,0|1,1,1]=4 586 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,1,0,0,0,0|1,0,1]=3 587 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,1,0,0,0,0|1,0,1]=3 588 B9R0.18 CCNN=C(C)C=COC 4a_100000756455_100102564965 [0,1,0,0,0,0|2,1,0]=4 589 B9R0.18 CCNNC(=O)C=COC 22a_100000756455_100016268678 [0,1,0,0,0,0|1,1,0]=3 590 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,1,0,0,0,0|1,0,2]=4 591 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,1,0,0,0,0|3,0,0]=4 592 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,1,0,0,0,0|0,1,2]=4 593 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,1,0,0,0,0|0,0,2]=3 594 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,1,0,0,0,0|0,1,2]=4 595 B9R0.18 COC=CC(=O)CCC#N 1458a_100016268678_100011215226 [0,1,0,0,0,0|1,1,1]=4 596 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [0,1,0,0,0,0|1,1,0]=3 597 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,1,0,0,0,0|1,1,0]=3 598 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [0,1,0,0,0,0|1,1,0]=3 599 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,1,0,0,0,0|1,1,0]=3 600 B9R0.18 COC=CC(=O)NCC#N 1626a_100000734998_100016268678 [0,1,0,0,0,0|1,1,1]=4 601 B9R0.18 COC=CC(=O)NCCF 1626a_100000724931_100016268678 [0,1,0,0,0,0|1,1,0]=3 602 B9R0.18 COC=CC(=O)NCCF 240690a_100000724931_100016268678 [0,1,0,0,0,0|1,1,0]=3 603 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,1,0,0,0,0|1,1,0]=3 604 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,1,0,0,0,0|1,0,2]=4 605 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,1,0,0,0,0|1,0,2]=4 606 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,1,0,0,0,0|1,0,2]=4 607 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,1,0,0,0,0|1,0,2]=4 608 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,1,0,0,0,0|1,0,2]=4 609 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,1,0,0,0,0|1,0,2]=4 610 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,1,0,0,0,0|1,0,2]=4 611 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,1,0,0,0,0|1,0,2]=4 612 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,1,0,0,0,0|1,0,2]=4 613 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,1,0,0,0,0|1,0,2]=4 614 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,1,0,0,0,0|1,0,2]=4 615 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,0|1,0,2]=4 616 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|1,0,2]=4 617 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,1,0,0,0,0|3,0,0]=4 619 B9R0.34 CCC(=CC(=O)NNC)C 22a_100016993582_100020758463 [0,1,0,0,0,0|3,0,0]=4 620 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,0|3,0,0]=4 621 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,0|3,0,0]=4 622 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,0|3,0,0]=4 623 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,0|3,0,0]=4 624 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,0|2,0,0]=3 625 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|2,0,1]=4 626 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|2,0,1]=4 627 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|2,0,1]=4 628 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|1,1,1]=4 629 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|1,1,1]=4 630 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,0,0,0,0|2,0,0]=3 631 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,0,0,0,0|2,0,0]=3 632 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|2,0,1]=4 633 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|1,1,1]=4 634 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|1,0,1]=3 635 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|1,0,1]=3 636 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|2,0,1]=4 637 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|2,0,1]=4 638 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|1,0,1]=3 639 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|1,0,2]=4 640 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|1,0,2]=4 641 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|0,0,2]=3 642 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|0,0,2]=3 643 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|0,0,2]=3 644 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|0,0,2]=3 645 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|2,0,1]=4 646 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|2,0,1]=4 647 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|2,0,1]=4 648 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|2,0,1]=4 649 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|2,0,1]=4 650 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|2,0,1]=4 651 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|2,0,1]=4 652 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|0,1,2]=4 653 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|0,1,2]=4 654 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|1,0,1]=3 655 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|1,0,1]=3 656 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|1,0,1]=3 657 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|1,0,1]=3 658 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,1,0,0,0,0|1,0,1]=3 659 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,1,0,0,0,0|1,0,1]=3 660 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,1,0,0,0,0|0,1,1]=3 661 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,1,0,0,0,0|0,0,1]=2 662 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,1,0,0,0,0|0,0,1]=2 663 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,1,0,0,0,0|0,0,1]=2 664 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,1,0,0,0,0|0,0,1]=2 665 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,0,0,0,0|2,0,0]=3 666 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,1,0,0,0,0|3,0,0]=4 667 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,1,0,0,0,0|3,0,0]=4 668 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,0,0,0,0|2,0,0]=3 669 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,0,0,0,0|2,0,0]=3 670 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,0,0,0,0|2,0,0]=3 671 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,1,0,0,0,0|3,0,0]=4 672 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,1,0,0,0,0|2,1,0]=4 673 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,0,0,0,0|2,0,1]=4 674 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,1,0,0,0,0|1,0,2]=4 675 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,1,0,0,0,0|2,1,0]=4 676 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,1,0,0,0,0|2,1,0]=4 677 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,1,0,0,0,0|3,0,0]=4 678 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,1,0,0,0,0|3,0,0]=4 679 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,1,0,0,0,0|3,0,0]=4 680 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,0,0,0,0|2,0,0]=3 681 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,0,0,0,0|2,0,0]=3 682 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,1,0,0,0,0|1,0,2]=4 683 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,1,0,0,0,0|1,0,2]=4 684 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,1,0,0,0,0|1,0,2]=4 685 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,1,0,0,0,0|2,0,1]=4 686 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,1,0,0,0,0|2,0,1]=4 687 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,0,0,0,0|0,0,1]=2 688 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,0,0,0,0|0,0,1]=2 689 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,0,0,0,0|0,0,1]=2 690 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,0,0,0,0|0,0,1]=2 691 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,1,0,0,0,0|2,0,1]=4 695 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,1,0,0,0,0|2,0,1]=4 698 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,1,0,0,0,0|3,0,0]=4 699 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,1,0,0,0,0|3,0,0]=4 700 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,1,0,0,0,0|2,0,0]=3 701 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,1,0,0,0,0|2,0,1]=4 702 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,1,0,0,0,0|2,0,1]=4 703 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,1,0,0,0,0|2,0,0]=3 704 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,1,0,0,0,0|2,0,0]=3 705 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 706 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 707 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,0,0,0,0|1,0,0]=2 709 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,0,0,0,0|1,0,0]=2 710 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|1,0,2]=4 711 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|1,0,2]=4 712 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,1,0,0,0,0|1,0,2]=4 713 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,1,0,0,0,0|1,0,2]=4 714 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,1,0,0,0,0|1,0,2]=4 715 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,1,0,0,0,0|1,0,2]=4 716 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,1,0,0,0,0|1,0,2]=4 717 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,1,0,0,0,0|1,0,2]=4 718 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,0,0,0,0|2,0,1]=4 719 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,1,0,0,0,0|2,0,1]=4 720 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,1,0,0,0,0|2,0,1]=4 721 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,1,0,0,0,0|2,0,1]=4 722 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,1,0,0,0,0|2,0,1]=4 724 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|2,0,1]=4 725 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|2,0,1]=4 726 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [0,1,0,0,0,0|3,0,0]=4 727 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|2,0,1]=4 728 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [0,0,0,1,0,0|2,0,1]=4 729 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,0,0,1,0,0|2,0,1]=4 730 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,0,0,1,0,0|1,0,2]=4 731 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,0,0,1,0,0|1,0,2]=4 732 B9R1.2 CSc1cn[nH]c(=O)c1 62a_200000210301_100010197405 [0,0,0,1,0,0|2,0,1]=4 733 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [0,0,0,1,0,0|2,0,1]=4 734 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,0,0,1,0,0|2,0,1]=4 735 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,0,0,1,0,0|1,0,2]=4 736 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,0,0,1,0,0|1,0,2]=4 737 B9R1.2 [13CH3]Sc1cn[nH]c(=O)c1 62a_200025704644_100010197405 [0,0,0,1,0,0|2,0,1]=4 738 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [0,0,0,1,0,0|2,0,0]=3 739 B9R1.7 CCOc1cnn(c1)C 34a_100000707646_100000210202 [0,0,0,1,0,0|3,0,0]=4 740 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,0,0,1,0,0|1,2,0]=4 741 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,0,0,1,0,0|1,2,0]=4 742 B9R1.7 CCSc1ccn(n1)C 62a_100000210202_100000752436 [0,0,0,1,0,0|2,1,0]=4 743 B9R1.7 CCSc1ccn(n1)C 62a_100000752436_100000210202 [0,0,0,1,0,0|2,1,0]=4 744 B9R1.7 Cn1ccc(n1)OCF 34a_100012642153_100015361967 [0,0,0,1,0,0|3,0,0]=4 745 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,0,0,1,0,0|2,0,1]=4 746 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,0,0,1,0,0|2,0,1]=4 747 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,0,0,1,0,0|2,0,1]=4 748 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,0,0,1,0,0|3,0,0]=4 749 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,0,0,1,0,0|3,0,0]=4 750 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,0,0,1,0,0|2,0,1]=4 751 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [0,0,0,1,0,0|3,0,0]=4 752 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,0,0,1,0,0|3,0,0]=4 753 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,0,0,1,0,0|3,0,0]=4 754 B9R1.22 CSc1cc(nn1C)N 62a_100116209741_200000210301 [0,0,0,1,0,0|3,0,0]=4 755 B9R1.22 CSc1cc(nn1C)N 62a_200000210301_100116209741 [0,0,0,1,0,0|3,0,0]=4 756 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,0,0,1,0,0|1,1,1]=4 757 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,0,0,1,0,0|1,1,1]=4 758 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,0,0,1,0,0|1,1,1]=4 759 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,0,0,1,0,0|1,1,1]=4 760 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,0,0,1,0,0|3,0,0]=4 761 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,0,0,1,0,0|3,0,0]=4 762 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_100116209741_200025704644 [0,0,0,1,0,0|3,0,0]=4 763 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_200025704644_100116209741 [0,0,0,1,0,0|3,0,0]=4 764 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,0,1,0,0|2,0,1]=4 765 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,0,1,0,0|2,0,1]=4 766 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,0,1,0,0|2,0,1]=4 767 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,0,1,0,0|2,0,1]=4 768 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,0,0,1,0,0|2,0,1]=4 769 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,0,0,1,0,0|2,0,1]=4 770 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,0,0,1,0,0|2,0,1]=4 771 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,0,0,1,0,0|2,0,1]=4 772 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|1,0,2]=4 773 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,0,0,1,0,0|2,0,1]=4 774 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,0,0,1,0,0|2,0,1]=4 775 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|1,0,2]=4 776 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,0,0,1,0,0|2,0,1]=4 777 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,0,0,1,0,0|2,0,1]=4 778 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,0,0,1,0,0|2,0,1]=4 779 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,0,0,1,0,0|2,0,1]=4 780 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|0,0,1]=3 781 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|0,0,1]=3 782 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [2,0,0,0,0,0|1,0,1]=4 783 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|0,1,1]=4 784 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|0,1,1]=4 785 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 786 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,1]=4 787 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,1]=4 788 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|0,1,1]=4 789 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|0,1,1]=4 790 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|0,1,1]=4 791 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|0,0,1]=3 792 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|0,0,1]=3 793 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|0,0,1]=3 794 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|0,0,1]=3 795 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 796 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|0,0,1]=3 797 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|0,1,1]=4 798 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|0,1,1]=4 799 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|0,0,2]=4 800 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|0,0,2]=4 801 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|0,0,2]=4 802 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|0,0,2]=4 803 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|0,0,2]=4 804 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|0,0,2]=4 805 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|0,0,2]=4 806 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [2,0,0,0,0,0|1,0,1]=4 807 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [2,0,0,0,0,0|1,0,1]=4 808 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,0]=3 809 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|2,0,0]=4 810 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|2,0,0]=4 811 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|1,0,0]=3 812 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [2,0,0,0,0,0|2,0,0]=4 813 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [2,0,0,0,0,0|1,0,1]=4 814 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 815 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 816 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 817 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,0]=2 818 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [2,0,0,0,0,0|1,0,0]=3 819 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|1,0,0]=3 820 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|1,0,0]=3 821 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|1,0,0]=3 822 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|1,0,0]=3 823 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|1,0,0]=3 824 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|1,0,0]=3 825 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,1]=4 826 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|0,1,1]=4 827 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|0,1,1]=4 828 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|0,1,1]=4 829 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|0,0,1]=3 830 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|0,0,1]=3 831 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|0,0,1]=3 832 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|0,0,1]=3 833 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|0,0,1]=3 834 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 835 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,2]=4 836 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,2]=4 837 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|2,0,0]=4 838 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 839 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 840 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 841 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 842 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 843 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 844 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 845 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 846 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 847 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 848 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 849 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 850 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 851 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 852 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [2,0,0,0,0,0|2,0,0]=4 853 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 854 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 855 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [2,0,0,0,0,0|2,0,0]=4 856 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|1,0,1]=4 857 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|1,0,1]=4 858 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|1,0,1]=4 859 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|1,0,1]=4 860 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|1,0,1]=4 861 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|1,0,1]=4 862 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|1,0,1]=4 863 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|1,0,1]=4 864 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,1]=4 865 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,1]=4 866 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,1]=4 867 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|0,0,1]=3 868 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|0,0,1]=3 869 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|0,0,1]=3 870 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|0,0,1]=3 871 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|0,1,1]=4 872 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|1,0,1]=4 873 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [2,0,0,0,0,0|2,0,0]=4 874 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [2,0,0,0,0,0|2,0,0]=4 875 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [2,0,0,0,0,0|2,0,0]=4 876 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|1,0,1]=4 877 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|1,0,1]=4 878 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|1,0,1]=4 879 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,1]=4 880 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,1]=4 881 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,0,2]=4 882 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,0,2]=4 883 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,0,1]=4 884 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,0,1]=4 885 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|1,0,1]=4 886 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|1,0,1]=4 887 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|1,0,1]=4 888 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,0]=3 889 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,0]=3 890 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|0,1,0]=3 891 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|0,1,0]=3 892 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,1]=4 893 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,1]=4 894 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,0,2]=4 895 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,0,2]=4 896 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,0,2]=4 897 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,0,2]=4 898 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,0,2]=4 899 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,0,1]=4 900 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,0,1]=4 901 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,1,0,0,0,0|1,0,0]=3 902 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [1,1,0,0,0,0|2,0,0]=4 903 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 904 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|1,0,1]=4 905 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 906 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,1,0,0,0,0|1,0,1]=4 907 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|1,0,1]=4 908 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|1,0,1]=4 909 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,1,0,0,0,0|1,0,1]=4 910 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,1,0,0,0,0|1,0,1]=4 911 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,1,0,0,0,0|1,0,1]=4 913 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 914 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|1,0,1]=4 915 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,1,0,0,0,0|2,0,0]=4 916 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,1,0,0,0,0|2,0,0]=4 917 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|2,0,0]=4 918 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|2,0,0]=4 919 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|2,0,0]=4 920 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|2,0,0]=4 921 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,1,0,0,0,0|1,0,0]=3 922 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [1,1,0,0,0,0|2,0,0]=4 923 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [1,1,0,0,0,0|1,0,0]=3 924 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [1,1,0,0,0,0|1,0,0]=3 925 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [1,1,0,0,0,0|1,0,0]=3 926 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|1,0,1]=4 927 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|1,0,1]=4 929 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|0,1,1]=4 930 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|0,0,1]=3 931 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|0,0,1]=3 932 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|0,0,1]=3 933 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|0,0,1]=3 934 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|1,0,0]=3 935 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [1,1,0,0,0,0|2,0,0]=4 936 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [1,1,0,0,0,0|2,0,0]=4 937 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [1,1,0,0,0,0|2,0,0]=4 938 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [1,1,0,0,0,0|2,0,0]=4 939 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [1,1,0,0,0,0|2,0,0]=4 940 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [1,1,0,0,0,0|1,1,0]=4 941 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|0,0,2]=4 942 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|2,0,0]=4 943 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 944 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 945 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 946 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,1]=4 947 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|0,0,1]=3 948 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|0,0,1]=3 949 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|0,0,1]=3 950 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|0,0,1]=3 951 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|0,0,2]=4 952 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|0,0,2]=4 953 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|0,0,2]=4 954 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|0,0,2]=4 955 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|0,1,1]=4 956 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|1,0,1]=4 957 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [1,1,0,0,0,0|1,0,1]=4 958 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [1,1,0,0,0,0|1,0,1]=4 959 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [1,1,0,0,0,0|1,0,1]=4 960 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [1,1,0,0,0,0|1,0,1]=4 961 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,1,0,0,0,0|1,0,1]=4 962 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,1,0,0,0,0|1,0,1]=4 963 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|1,0,1]=4 964 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|1,0,1]=4 965 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [1,1,0,0,0,0|1,0,1]=4 966 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [1,1,0,0,0,0|1,0,1]=4 967 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [1,1,0,0,0,0|1,0,1]=4 968 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,1,0,0,0,0|1,0,0]=3 969 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [1,1,0,0,0,0|2,0,0]=4 970 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [1,1,0,0,0,0|2,0,0]=4 971 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [1,1,0,0,0,0|2,0,0]=4 972 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [1,1,0,0,0,0|0,1,0]=3 973 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [1,1,0,0,0,0|1,1,0]=4 974 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [1,1,0,0,0,0|1,1,0]=4 975 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|0,0,2]=4 976 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|0,0,2]=4 977 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|0,0,2]=4 978 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|0,0,2]=4 979 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|0,0,2]=4 980 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,1,0,0,0,0|1,0,1]=4 981 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,1,0,0,0,0|1,0,1]=4 982 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [1,1,0,0,0,0|2,0,0]=4 983 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|1,0,0]=3 984 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|1,0,1]=4 985 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|1,0,1]=4 986 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [1,1,0,0,0,0|2,0,0]=4 987 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [1,1,0,0,0,0|2,0,0]=4 988 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [1,1,0,0,0,0|2,0,0]=4 989 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [1,1,0,0,0,0|2,0,0]=4 990 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [1,1,0,0,0,0|2,0,0]=4 991 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [1,1,0,0,0,0|2,0,0]=4 992 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [1,1,0,0,0,0|2,0,0]=4 993 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [1,1,0,0,0,0|2,0,0]=4 994 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [1,1,0,0,0,0|2,0,0]=4 995 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|1,0,0]=3 996 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,1]=4 997 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 998 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,1,1]=4 999 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,1,1]=4 1000 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,1]=4 1001 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|0,0,2]=4 1002 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|0,0,2]=4 1003 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|0,0,2]=4 1004 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|0,0,2]=4 1005 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [1,1,0,0,0,0|1,0,1]=4 1006 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [1,1,0,0,0,0|1,0,1]=4 1007 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 1008 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [1,1,0,0,0,0|2,0,0]=4 1009 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [1,1,0,0,0,0|2,0,0]=4 1010 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [1,1,0,0,0,0|2,0,0]=4 1011 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [1,1,0,0,0,0|2,0,0]=4 1012 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [1,1,0,0,0,0|2,0,0]=4 1013 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [1,1,0,0,0,0|2,0,0]=4 1014 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [1,1,0,0,0,0|2,0,0]=4 1015 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [1,1,0,0,0,0|2,0,0]=4 1016 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [1,1,0,0,0,0|2,0,0]=4 1017 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [1,1,0,0,0,0|2,0,0]=4 1018 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [1,1,0,0,0,0|2,0,0]=4 1019 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 1020 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 1021 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [1,1,0,0,0,0|2,0,0]=4 1022 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [1,1,0,0,0,0|2,0,0]=4 1023 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [1,1,0,0,0,0|1,0,1]=4 1024 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [1,1,0,0,0,0|1,0,1]=4 1025 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [1,1,0,0,0,0|0,0,1]=3 1026 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [1,1,0,0,0,0|0,0,1]=3 1027 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [1,1,0,0,0,0|2,0,0]=4 1028 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [1,1,0,0,0,0|2,0,0]=4 1029 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [1,1,0,0,0,0|2,0,0]=4 1030 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|1,0,0]=3 1031 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,1,0,0,0,0|1,0,0]=3 1032 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [1,1,0,0,0,0|2,0,0]=4 1033 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [1,1,0,0,0,0|1,0,0]=3 1034 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [1,1,0,0,0,0|1,0,0]=3 1035 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [1,1,0,0,0,0|1,0,0]=3 1036 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|2,0,0]=4 1038 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|1,0,0]=3 1039 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|1,0,0]=3 1040 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|1,0,0]=3 1041 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [1,1,0,0,0,0|2,0,0]=4 1042 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 1043 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,1,0,0,0,0|1,0,0]=3 1044 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,1,0,0,0,0|1,0,0]=3 1045 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [1,1,0,0,0,0|1,0,0]=3 1046 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [1,1,0,0,0,0|1,0,0]=3 1047 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [1,1,0,0,0,0|1,0,0]=3 1048 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [1,1,0,0,0,0|2,0,0]=4 1049 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 1050 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|0,0,1]=3 1051 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|0,0,1]=3 1052 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|0,0,1]=3 1053 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [1,1,0,0,0,0|1,0,1]=4 1054 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [1,1,0,0,0,0|1,0,1]=4 1055 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [1,1,0,0,0,0|1,0,1]=4 1056 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [1,1,0,0,0,0|1,0,1]=4 1057 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|1,0,1]=4 1058 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [1,1,0,0,0,0|1,0,1]=4 1059 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [1,1,0,0,0,0|1,0,1]=4 1060 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [1,1,0,0,0,0|1,0,1]=4 1061 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [1,1,0,0,0,0|2,0,0]=4 1062 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [1,1,0,0,0,0|2,0,0]=4 1063 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [1,1,0,0,0,0|0,1,1]=4 1064 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,1,0,0,0,0|1,0,1]=4 1065 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|1,0,1]=4 1066 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [1,1,0,0,0,0|1,0,1]=4 1067 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [1,1,0,0,0,0|1,0,1]=4 1068 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [1,1,0,0,0,0|1,0,1]=4 1069 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [1,1,0,0,0,0|1,0,1]=4 1070 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [1,1,0,0,0,0|1,0,1]=4 1071 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [1,1,0,0,0,0|1,0,1]=4 1072 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [1,1,0,0,0,0|0,0,1]=3 1073 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [1,1,0,0,0,0|0,0,1]=3 1074 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,2,0,0,0,0|2,0,0]=4 1075 B10R0.6 C/C=C/C=CC(=O)CC(C)O 1458a_100000185730_100011218427 [0,2,0,0,0,0|2,0,0]=4 1076 B10R0.6 C/C=C/C=CC(=O)NC(C)C 11a_100138425928_100000185730 [0,2,0,0,0,0|2,0,0]=4 1077 B10R0.6 C/C=C/C=CC(=O)NC(C)C 1626a_100138425928_100000185730 [0,2,0,0,0,0|2,0,0]=4 1078 B10R0.6 C/C=C/C=CC(=O)NC(C)C 240690a_100138425928_100000185730 [0,2,0,0,0,0|2,0,0]=4 1079 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,2,0,0,0,0|0,0,2]=4 1080 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,2,0,0,0,0|0,0,2]=4 1081 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,2,0,0,0,0|1,0,1]=4 1082 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,2,0,0,0,0|1,0,1]=4 1083 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,2,0,0,0,0|2,0,0]=4 1084 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,2,0,0,0,0|2,0,0]=4 1085 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 1086 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 1087 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 1088 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [0,2,0,0,0,0|2,0,0]=4 1089 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,2,0,0,0,0|2,0,0]=4 1090 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,2,0,0,0,0|2,0,0]=4 1091 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,2,0,0,0,0|2,0,0]=4 1092 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,2,0,0,0,0|2,0,0]=4 1093 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 1094 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 1095 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,2,0,0,0,0|2,0,0]=4 1096 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,2,0,0,0,0|1,1,0]=4 1097 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,2,0,0,0,0|1,1,0]=4 1098 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [0,2,0,0,0,0|1,1,0]=4 1099 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [0,2,0,0,0,0|1,1,0]=4 1100 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [0,2,0,0,0,0|1,1,0]=4 1101 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|0,0,2]=4 1102 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|0,0,2]=4 1103 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,2,0,0,0,0|1,0,1]=4 1104 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,2,0,0,0,0|1,0,1]=4 1105 B10R0.6 COCC=CC(=O)CC(C)C 1458a_100016285016_100000210624 [0,2,0,0,0,0|1,1,0]=4 1106 B10R0.6 COCC=CC(=O)CC(C)O 1458a_100016285016_100011218427 [0,2,0,0,0,0|1,1,0]=4 1107 B10R0.6 COCC=CC(=O)NC(C)C 11a_100138425928_100016285016 [0,2,0,0,0,0|1,1,0]=4 1108 B10R0.6 COCC=CC(=O)NC(C)C 1626a_100138425928_100016285016 [0,2,0,0,0,0|1,1,0]=4 1109 B10R0.6 COCC=CC(=O)NC(C)C 240690a_100138425928_100016285016 [0,2,0,0,0,0|1,1,0]=4 1110 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,2,0,0,0,0|0,0,2]=4 1111 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,2,0,0,0,0|0,0,2]=4 1112 B10R0.18 C#CC(C)NC(=O)C=CCC 11a_100000707721_100000212282 [0,2,0,0,0,0|2,0,0]=4 1113 B10R0.18 C#CC(C)NC(=O)C=CCC 1626a_100000707721_100000212282 [0,2,0,0,0,0|2,0,0]=4 1114 B10R0.18 C#CC(C)NC(=O)C=CCC 240690a_100000707721_100000212282 [0,2,0,0,0,0|2,0,0]=4 1115 B10R0.18 C#CC(C)NC(=O)C=COC 1626a_100000707721_100016268678 [0,2,0,0,0,0|1,1,0]=4 1116 B10R0.18 C#CC(C)NC(=O)C=COC 240690a_100000707721_100016268678 [0,2,0,0,0,0|1,1,0]=4 1117 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,2,0,0,0,0|2,0,0]=4 1118 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,2,0,0,0,0|2,0,0]=4 1119 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,2,0,0,0,0|2,0,0]=4 1120 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,2,0,0,0,0|2,0,0]=4 1121 B10R0.18 CCC(=CC(=O)NCCF)C 11a_100000724931_100020758463 [0,2,0,0,0,0|2,0,0]=4 1122 B10R0.18 CCC(=CC(=O)NCCF)C 1626a_100000724931_100020758463 [0,2,0,0,0,0|2,0,0]=4 1123 B10R0.18 CCC(=CC(=O)NCCF)C 240690a_100000724931_100020758463 [0,2,0,0,0,0|2,0,0]=4 1124 B10R0.18 CCC(=CC(=O)NCCO)C 240690a_100000210304_100020758463 [0,2,0,0,0,0|2,0,0]=4 1125 B10R0.18 CCC(=O)CC(=O)C=COC 1458a_100016268678_100000747405 [0,2,0,0,0,0|1,1,0]=4 1126 B10R0.18 CCC(C)CC(=O)C=COC 1458a_100016268678_100000748023 [0,2,0,0,0,0|1,1,0]=4 1127 B10R0.18 CCC(C)NC(=O)C=COC 1626a_100000209981_100016268678 [0,2,0,0,0,0|1,1,0]=4 1128 B10R0.18 CCC(C)NC(=O)C=COC 240690a_100000209981_100016268678 [0,2,0,0,0,0|1,1,0]=4 1129 B10R0.18 CCC(O)CC(=O)C=COC 1458a_100016268678_100011218378 [0,2,0,0,0,0|1,1,0]=4 1130 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,2,0,0,0,0|2,0,0]=4 1131 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,2,0,0,0,0|2,0,0]=4 1132 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|2,0,0]=4 1133 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,2,0,0,0,0|2,0,0]=4 1134 B10R0.18 CCC=CC(=O)C[C@@H](C)CO 1458a_100000212282_100000059175 [0,2,0,0,0,0|2,0,0]=4 1135 B10R0.18 CCC=CC(=O)NC(C)C#N 11a_100000737613_100000212282 [0,2,0,0,0,0|2,0,0]=4 1136 B10R0.18 CCC=CC(=O)NC(C)C#N 1626a_100000737613_100000212282 [0,2,0,0,0,0|2,0,0]=4 1137 B10R0.18 CCC=CC(=O)NC(C)CC 11a_100000209981_100000212282 [0,2,0,0,0,0|2,0,0]=4 1138 B10R0.18 CCC=CC(=O)NC(C)CC 1626a_100000209981_100000212282 [0,2,0,0,0,0|2,0,0]=4 1139 B10R0.18 CCC=CC(=O)NC(C)CC 240690a_100000209981_100000212282 [0,2,0,0,0,0|2,0,0]=4 1140 B10R0.18 CCC=CC(=O)N[C@H](C)CF 11a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 1141 B10R0.18 CCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 1142 B10R0.18 CCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000212282 [0,2,0,0,0,0|2,0,0]=4 1143 B10R0.18 CCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000212282 [0,2,0,0,0,0|2,0,0]=4 1144 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|2,0,0]=4 1145 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 1146 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 1147 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,2,0,0,0,0|2,0,0]=4 1148 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 1149 B10R0.18 CCNNC(=O)C=C(C)CC 22a_100000756455_100020758463 [0,2,0,0,0,0|2,0,0]=4 1150 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 1151 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 1152 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|0,1,1]=4 1153 B10R0.18 CC[C@H](C)CC(=O)C=COC 1458a_100016268678_100009816398 [0,2,0,0,0,0|1,1,0]=4 1154 B10R0.18 COC=CC(=O)C[C@@H](C)CO 1458a_100016268678_100000059175 [0,2,0,0,0,0|1,1,0]=4 1155 B10R0.18 COC=CC(=O)NC(C)C#N 1626a_100000737613_100016268678 [0,2,0,0,0,0|1,1,0]=4 1156 B10R0.18 COC=CC(=O)N[C@H](C)CF 1626a_100102880703_100016268678 [0,2,0,0,0,0|1,1,0]=4 1157 B10R0.18 COC=CC(=O)N[C@H](C)CF 240690a_100102880703_100016268678 [0,2,0,0,0,0|1,1,0]=4 1158 B10R0.18 COC=CC(=O)N[C@H](C)CO 240690a_100000737577_100016268678 [0,2,0,0,0,0|1,1,0]=4 1159 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_100009816755_200025704644 [0,2,0,0,0,0|0,0,2]=4 1160 B10R0.28 CC(C)(C)OC(=O)CCS[13CH3] 62a_200025704644_100009816755 [0,2,0,0,0,0|0,0,2]=4 1161 B10R0.28 CCC=CC(=O)NC(C)(C)C 11a_100000715429_100000212282 [0,2,0,0,0,0|2,0,0]=4 1162 B10R0.28 CCC=CC(=O)NC(C)(C)C 1626a_100000715429_100000212282 [0,2,0,0,0,0|2,0,0]=4 1163 B10R0.28 CCC=CC(=O)NC(C)(C)C 240690a_100000715429_100000212282 [0,2,0,0,0,0|2,0,0]=4 1164 B10R0.28 COC=CC(=O)NC(C)(C)C 1626a_100000715429_100016268678 [0,2,0,0,0,0|1,1,0]=4 1165 B10R0.28 COC=CC(=O)NC(C)(C)C 240690a_100000715429_100016268678 [0,2,0,0,0,0|1,1,0]=4 1166 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_100009816755_200000210301 [0,2,0,0,0,0|0,0,2]=4 1167 B10R0.28 CSCCC(=O)OC(C)(C)C 62a_200000210301_100009816755 [0,2,0,0,0,0|0,0,2]=4 1168 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,2,0,0,0,0|1,0,1]=4 1169 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,2,0,0,0,0|2,0,0]=4 1170 B10R0.32 CC/C=C(\C)/C(=O)CC(C)O 1458a_100016988807_100011218427 [0,2,0,0,0,0|2,0,0]=4 1171 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100016988807 [0,2,0,0,0,0|2,0,0]=4 1172 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100016988807 [0,2,0,0,0,0|2,0,0]=4 1173 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 240690a_100138425928_100016988807 [0,2,0,0,0,0|2,0,0]=4 1174 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 527a_100138425928_100016988807 [0,2,0,0,0,0|2,0,0]=4 1175 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,2,0,0,0,0|1,0,1]=4 1176 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,2,0,0,0,0|2,0,0]=4 1177 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,2,0,0,0,0|2,0,0]=4 1178 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,2,0,0,0,0|2,0,0]=4 1179 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_100000067433_200025704644 [0,2,0,0,0,0|1,0,1]=4 1180 B10R0.44 CC(C)OC(=O)OC(C)S[13CH3] 62a_200025704644_100000067433 [0,2,0,0,0,0|1,0,1]=4 1181 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,2,0,0,0,0|2,0,0]=4 1182 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,2,0,0,0,0|2,0,0]=4 1183 B10R0.44 CCC(=CC(=O)NC(C)C)C 11a_100138425928_100020758463 [0,2,0,0,0,0|2,0,0]=4 1184 B10R0.44 CCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020758463 [0,2,0,0,0,0|2,0,0]=4 1185 B10R0.44 CCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020758463 [0,2,0,0,0,0|2,0,0]=4 1186 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,2,0,0,0,0|1,0,1]=4 1187 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_100000067433_200000210301 [0,2,0,0,0,0|1,0,1]=4 1188 B10R0.44 CSC(C)OC(=O)OC(C)C 62a_200000210301_100000067433 [0,2,0,0,0,0|1,0,1]=4 1189 B10R0.81 CCC=CC(=O)N(C)C(C)C 11a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 1190 B10R0.81 CCC=CC(=O)N(C)C(C)C 1626a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 1191 B10R0.81 CCC=CC(=O)N(C)C(C)C 240690a_200000211004_100000212282 [0,2,0,0,0,0|2,0,0]=4 1192 B10R0.81 COC=CC(=O)N(C)C(C)C 1626a_200000211004_100016268678 [0,2,0,0,0,0|1,1,0]=4 1193 B10R0.81 COC=CC(=O)N(C)C(C)C 240690a_200000211004_100016268678 [0,2,0,0,0,0|1,1,0]=4 1194 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,2,0,0,0,0|2,0,0]=4 1195 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,2,0,0,0,0|2,0,0]=4 1196 B10R0.96 CC(C)C=CC(=O)NC(C)C 11a_100138425928_100016268746 [0,2,0,0,0,0|2,0,0]=4 1197 B10R0.96 CC(C)C=CC(=O)NC(C)C 1626a_100138425928_100016268746 [0,2,0,0,0,0|2,0,0]=4 1198 B10R0.96 CC(C)C=CC(=O)NC(C)C 240690a_100138425928_100016268746 [0,2,0,0,0,0|2,0,0]=4 1199 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,2,0,0,0,0|0,0,2]=4 1200 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,2,0,0,0,0|1,0,1]=4 1201 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,2,0,0,0,0|1,0,1]=4 1202 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,2,0,0,0,0|1,0,1]=4 1203 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,2,0,0,0,0|1,0,1]=4 1204 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,2,0,0,0,0|0,0,2]=4 1205 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,2,0,0,0,0|0,0,2]=4 1206 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,2,0,0,0,0|1,0,1]=4 1207 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|2,0,0]=4 1208 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,2,0,0,0,0|1,0,1]=4 1209 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,2,0,0,0,0|1,0,1]=4 1210 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|2,0,0]=4 1211 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 1212 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 1213 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|2,0,0]=4 1214 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|2,0,0]=4 1215 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|2,0,0]=4 1216 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|2,0,0]=4 1217 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,2,0,0,0,0|1,0,1]=4 1218 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,2]=4 1219 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,2]=4 1220 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|1,0,1]=4 1221 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,2,0,0,0,0|1,0,0]=3 1222 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [0,2,0,0,0,0|1,0,1]=4 1223 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|0,0,0]=2 1224 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|0,0,0]=2 1225 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,2,0,0,0,0|0,0,0]=2 1226 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,2,0,0,0,0|0,0,0]=2 1227 B10R0.1 CCOC(=O)C=NNCCO 4a_100000210001_100000742314 [0,2,0,0,0,0|2,0,0]=4 1228 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,2]=4 1229 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,2]=4 1230 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,2]=4 1231 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,2]=4 1232 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,2]=4 1233 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,2]=4 1234 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|0,0,2]=4 1235 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|0,0,2]=4 1236 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,2,0,0,0,0|0,0,2]=4 1237 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,2,0,0,0,0|0,0,2]=4 1238 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,2,0,0,0,0|0,0,2]=4 1239 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,2,0,0,0,0|0,0,2]=4 1240 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|0,0,2]=4 1241 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|0,0,2]=4 1242 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|0,0,2]=4 1243 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|0,0,2]=4 1244 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|0,0,2]=4 1245 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|0,0,2]=4 1246 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|0,0,2]=4 1247 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|0,0,2]=4 1248 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|0,0,2]=4 1249 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|0,0,2]=4 1250 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|0,0,2]=4 1251 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|0,0,2]=4 1252 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|0,0,2]=4 1253 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|0,0,2]=4 1254 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|0,0,2]=4 1255 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|0,0,2]=4 1256 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|0,0,2]=4 1257 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|0,0,2]=4 1258 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,2,0,0,0,0|0,0,2]=4 1259 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [0,2,0,0,0,0|0,0,1]=3 1260 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [0,2,0,0,0,0|0,0,1]=3 1261 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,2,0,0,0,0|1,0,1]=4 1262 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,2,0,0,0,0|1,0,1]=4 1263 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,2,0,0,0,0|1,0,1]=4 1264 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,2,0,0,0,0|1,0,1]=4 1265 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|1,0,1]=4 1266 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|0,0,2]=4 1267 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,2,0,0,0,0|0,1,0]=3 1268 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,2,0,0,0,0|1,0,1]=4 1269 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|2,0,0]=4 1270 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,2,0,0,0,0|2,0,0]=4 1271 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|1,0,0]=3 1272 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,2,0,0,0,0|2,0,0]=4 1273 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,2,0,0,0,0|2,0,0]=4 1274 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,2,0,0,0,0|2,0,0]=4 1275 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|1,0,1]=4 1276 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|1,0,1]=4 1277 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|1,0,1]=4 1278 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,2,0,0,0,0|1,0,1]=4 1279 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|1,0,1]=4 1280 B10R0.2 CCNC(=O)NC(=O)CSC 62a_200000210301_100000183762 [0,2,0,0,0,0|1,0,1]=4 1281 B10R0.2 CCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183762 [0,2,0,0,0,0|1,0,1]=4 1282 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,2,0,0,0,0|1,0,0]=3 1283 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,2,0,0,0,0|1,0,0]=3 1284 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,2,0,0,0,0|1,0,0]=3 1285 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,2,0,0,0,0|0,1,0]=3 1286 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,2,0,0,0,0|0,0,0]=2 1287 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,2,0,0,0,0|0,0,0]=2 1288 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,2,0,0,0,0|0,0,0]=2 1289 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,2,0,0,0,0|0,0,0]=2 1290 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,2,0,0,0,0|2,0,0]=4 1291 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,2,0,0,0,0|2,0,0]=4 1292 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,2,0,0,0,0|2,0,0]=4 1293 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|1,0,1]=4 1294 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|1,0,1]=4 1295 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|1,0,1]=4 1296 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|0,1,1]=4 1297 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|0,0,1]=3 1298 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|0,0,1]=3 1299 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|0,0,1]=3 1300 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|0,0,1]=3 1301 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|0,0,1]=3 1302 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,2,0,0,0,0|1,0,1]=4 1303 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|0,0,2]=4 1304 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|0,0,2]=4 1305 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|0,0,2]=4 1306 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|0,0,2]=4 1307 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|0,0,2]=4 1308 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|0,0,2]=4 1309 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|0,0,2]=4 1310 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|0,0,2]=4 1311 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|0,0,2]=4 1312 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,2,0,0,0,0|1,0,1]=4 1313 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,2,0,0,0,0|0,0,1]=3 1314 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,2,0,0,0,0|0,0,1]=3 1315 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,2,0,0,0,0|1,0,1]=4 1316 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,2,0,0,0,0|1,0,1]=4 1317 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,2,0,0,0,0|1,0,1]=4 1318 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,2,0,0,0,0|1,0,1]=4 1319 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,2,0,0,0,0|2,0,0]=4 1320 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,2,0,0,0,0|2,0,0]=4 1321 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,2,0,0,0,0|2,0,0]=4 1322 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,2,0,0,0,0|2,0,0]=4 1323 B10R0.3 CCNC(=O)C=CCN(C)C 240690a_100015525214_100000754359 [0,2,0,0,0,0|2,0,0]=4 1324 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,2,0,0,0,0|1,0,0]=3 1325 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,2,0,0,0,0|1,0,0]=3 1326 B10R0.3 CCOC(=O)C=NNC(=O)C 4a_100000189765_100000742314 [0,2,0,0,0,0|2,0,0]=4 1327 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,2,0,0,0,0|2,0,0]=4 1328 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|0,0,2]=4 1329 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|0,0,2]=4 1330 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,2,0,0,0,0|1,0,1]=4 1331 B10R0.19 C/C=C/CC(=O)C(=O)NCC 1458a_200011297158_100102629194 [0,2,0,0,0,0|2,0,0]=4 1332 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,2,0,0,0,0|1,0,1]=4 1333 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|0,1,1]=4 1334 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|0,0,1]=3 1335 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|0,0,1]=3 1336 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100000755967_100015361967 [0,2,0,0,0,0|0,0,1]=3 1337 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100015361967_100000755967 [0,2,0,0,0,0|0,0,1]=3 1338 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|2,0,0]=4 1339 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,2,0,0,0,0|2,0,0]=4 1340 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,2,0,0,0,0|2,0,0]=4 1341 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,2,0,0,0,0|2,0,0]=4 1342 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|2,0,0]=4 1343 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 1344 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 1345 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 1346 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 1347 B10R0.19 CC/C=C(\C)/C(=O)NCCF 11a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 1348 B10R0.19 CC/C=C(\C)/C(=O)NCCF 1626a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 1349 B10R0.19 CC/C=C(\C)/C(=O)NCCF 240690a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 1350 B10R0.19 CC/C=C(\C)/C(=O)NCCF 527a_100000724931_100016988807 [0,2,0,0,0,0|2,0,0]=4 1351 B10R0.19 CC/C=C(\C)/C(=O)NCCO 240690a_100000210304_100016988807 [0,2,0,0,0,0|2,0,0]=4 1352 B10R0.19 CC/C=C(\C)/C(=O)NCCO 527a_100000210304_100016988807 [0,2,0,0,0,0|2,0,0]=4 1353 B10R0.19 CC/C=C(\C)/C(=O)NNCC 22a_100000756455_100016988807 [0,2,0,0,0,0|2,0,0]=4 1354 B10R0.19 CC=CCC(=O)C(=O)NCC 1458a_200011297158_100000070051 [0,2,0,0,0,0|2,0,0]=4 1355 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,2,0,0,0,0|1,0,1]=4 1356 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,2,0,0,0,0|2,0,0]=4 1357 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,2,0,0,0,0|2,0,0]=4 1358 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,2,0,0,0,0|2,0,0]=4 1359 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,2,0,0,0,0|2,0,0]=4 1360 B10R0.19 CCC=CC(=O)C(C)CCO 1458a_100000212282_100009893172 [0,2,0,0,0,0|2,0,0]=4 1361 B10R0.19 CCC=CC(=O)C(C)COC 1458a_100000212282_100000765312 [0,2,0,0,0,0|2,0,0]=4 1362 B10R0.19 CCC=CC(=O)N(C)CCC 11a_100000747261_100000212282 [0,2,0,0,0,0|2,0,0]=4 1363 B10R0.19 CCC=CC(=O)N(C)CCC 1626a_100000747261_100000212282 [0,2,0,0,0,0|2,0,0]=4 1364 B10R0.19 CCC=CC(=O)N(C)CCC 240690a_100000747261_100000212282 [0,2,0,0,0,0|2,0,0]=4 1365 B10R0.19 CCC=CC(=O)N(C)CCO 240690a_100000210263_100000212282 [0,2,0,0,0,0|2,0,0]=4 1366 B10R0.19 CCCC(C)C(=O)C=COC 1458a_100016268678_100000766640 [0,2,0,0,0,0|1,1,0]=4 1367 B10R0.19 CCCN(C)C(=O)C=COC 1626a_100000747261_100016268678 [0,2,0,0,0,0|1,1,0]=4 1368 B10R0.19 CCCN(C)C(=O)C=COC 240690a_100000747261_100016268678 [0,2,0,0,0,0|1,1,0]=4 1369 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 1370 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 1371 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 1372 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|1,0,1]=4 1373 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,2,0,0,0,0|2,0,0]=4 1374 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|0,0,1]=3 1375 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|0,0,1]=3 1376 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,2,0,0,0,0|0,0,1]=3 1377 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,2,0,0,0,0|0,0,1]=3 1378 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 1379 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 1380 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 1381 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,2,0,0,0,0|2,0,0]=4 1382 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|0,0,2]=4 1383 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|0,0,2]=4 1384 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,2,0,0,0,0|0,0,2]=4 1385 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,2,0,0,0,0|0,0,2]=4 1386 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,2,0,0,0,0|0,0,2]=4 1387 B10R0.19 COC=CC(=O)C(C)CCO 1458a_100016268678_100009893172 [0,2,0,0,0,0|1,1,0]=4 1388 B10R0.19 COC=CC(=O)C(C)COC 1458a_100016268678_100000765312 [0,2,0,0,0,0|1,1,0]=4 1389 B10R0.19 COC=CC(=O)N(C)CCO 240690a_100000210263_100016268678 [0,2,0,0,0,0|1,1,0]=4 1390 B10R0.83 C/C=C/C=CC(=O)C(C)CC 1458a_100000185730_100000758301 [0,2,0,0,0,0|2,0,0]=4 1391 B10R0.83 C/C=C/C=CC(=O)N(C)CC 11a_100000225621_100000185730 [0,2,0,0,0,0|2,0,0]=4 1392 B10R0.83 C/C=C/C=CC(=O)N(C)CC 1626a_100000225621_100000185730 [0,2,0,0,0,0|2,0,0]=4 1393 B10R0.83 C/C=C/C=CC(=O)N(C)CC 240690a_100000225621_100000185730 [0,2,0,0,0,0|2,0,0]=4 1394 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,2,0,0,0,0|2,0,0]=4 1395 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 1396 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 1397 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 1398 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [0,2,0,0,0,0|2,0,0]=4 1399 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,2,0,0,0,0|2,0,0]=4 1400 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,2,0,0,0,0|2,0,0]=4 1401 B10R0.83 CCC(C)C(=O)C=CCOC 1458a_100016285016_100000758301 [0,2,0,0,0,0|1,1,0]=4 1402 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,2,0,0,0,0|2,0,0]=4 1403 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 1404 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 1405 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,2,0,0,0,0|2,0,0]=4 1406 B10R0.83 CCN(C)C(=O)C=CCOC 11a_100000225621_100016285016 [0,2,0,0,0,0|1,1,0]=4 1407 B10R0.83 CCN(C)C(=O)C=CCOC 1626a_100000225621_100016285016 [0,2,0,0,0,0|1,1,0]=4 1408 B10R0.83 CCN(C)C(=O)C=CCOC 240690a_100000225621_100016285016 [0,2,0,0,0,0|1,1,0]=4 1409 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [0,2,0,0,0,0|1,1,0]=4 1410 B10R0.83 CCOC=CC(=O)N(C)CC 11a_100000225621_100016266692 [0,2,0,0,0,0|1,1,0]=4 1411 B10R0.83 CCOC=CC(=O)N(C)CC 1626a_100000225621_100016266692 [0,2,0,0,0,0|1,1,0]=4 1412 B10R0.83 CCOC=CC(=O)N(C)CC 240690a_100000225621_100016266692 [0,2,0,0,0,0|1,1,0]=4 1413 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,2,0,0,0,0|2,0,0]=4 1414 B10R0.91 C#CCCCC(=O)C=COC 1458a_100016268678_100000731252 [0,2,0,0,0,0|1,1,0]=4 1415 B10R0.91 C#CCCNC(=O)C=CCC 11a_100000755551_100000212282 [0,2,0,0,0,0|2,0,0]=4 1416 B10R0.91 C#CCCNC(=O)C=CCC 1626a_100000755551_100000212282 [0,2,0,0,0,0|2,0,0]=4 1417 B10R0.91 C#CCCNC(=O)C=CCC 240690a_100000755551_100000212282 [0,2,0,0,0,0|2,0,0]=4 1418 B10R0.91 C#CCCNC(=O)C=COC 1626a_100000755551_100016268678 [0,2,0,0,0,0|1,1,0]=4 1419 B10R0.91 C#CCCNC(=O)C=COC 240690a_100000755551_100016268678 [0,2,0,0,0,0|1,1,0]=4 1420 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [0,2,0,0,0,0|2,0,0]=4 1421 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [0,2,0,0,0,0|2,0,0]=4 1422 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,2,0,0,0,0|2,0,0]=4 1423 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [0,2,0,0,0,0|2,0,0]=4 1424 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [0,2,0,0,0,0|2,0,0]=4 1425 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [0,2,0,0,0,0|2,0,0]=4 1426 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [0,2,0,0,0,0|2,0,0]=4 1427 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [0,2,0,0,0,0|2,0,0]=4 1428 B10R0.91 C/C=C/C=CC(=O)NCCF 11a_100000724931_100000185730 [0,2,0,0,0,0|2,0,0]=4 1429 B10R0.91 C/C=C/C=CC(=O)NCCF 1626a_100000724931_100000185730 [0,2,0,0,0,0|2,0,0]=4 1430 B10R0.91 C/C=C/C=CC(=O)NCCF 240690a_100000724931_100000185730 [0,2,0,0,0,0|2,0,0]=4 1431 B10R0.91 C/C=C/C=CC(=O)NCCO 240690a_100000210304_100000185730 [0,2,0,0,0,0|2,0,0]=4 1432 B10R0.91 C/C=C/C=CC(=O)NNCC 22a_100000756455_100000185730 [0,2,0,0,0,0|2,0,0]=4 1433 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [0,2,0,0,0,0|1,0,1]=4 1434 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|1,0,1]=4 1435 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|1,0,1]=4 1436 B10R0.91 C/C=C/CC(=O)COCCO 1458a_100000708028_100102629194 [0,2,0,0,0,0|1,0,1]=4 1437 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,2,0,0,0,0|1,0,1]=4 1438 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,2,0,0,0,0|2,0,0]=4 1439 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,2,0,0,0,0|1,1,0]=4 1440 B10R0.91 C=CCCNC(=O)C=CCC 11a_100015191253_100000212282 [0,2,0,0,0,0|2,0,0]=4 1441 B10R0.91 C=CCCNC(=O)C=CCC 1626a_100015191253_100000212282 [0,2,0,0,0,0|2,0,0]=4 1442 B10R0.91 C=CCCNC(=O)C=CCC 240690a_100015191253_100000212282 [0,2,0,0,0,0|2,0,0]=4 1443 B10R0.91 C=CCCNC(=O)C=COC 1626a_100015191253_100016268678 [0,2,0,0,0,0|1,1,0]=4 1444 B10R0.91 C=CCCNC(=O)C=COC 240690a_100015191253_100016268678 [0,2,0,0,0,0|1,1,0]=4 1445 B10R0.91 CC#CCNC(=O)C=CCC 11a_100000685387_100000212282 [0,2,0,0,0,0|2,0,0]=4 1446 B10R0.91 CC#CCNC(=O)C=CCC 1626a_100000685387_100000212282 [0,2,0,0,0,0|2,0,0]=4 1447 B10R0.91 CC#CCNC(=O)C=COC 1626a_100000685387_100016268678 [0,2,0,0,0,0|1,1,0]=4 1448 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,2,0,0,0,0|2,0,0]=4 1449 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,2,0,0,0,0|2,0,0]=4 1450 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,2,0,0,0,0|2,0,0]=4 1451 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|2,0,0]=4 1452 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,2,0,0,0,0|2,0,0]=4 1453 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,2,0,0,0,0|2,0,0]=4 1454 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,2,0,0,0,0|2,0,0]=4 1455 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,2,0,0,0,0|2,0,0]=4 1456 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,2,0,0,0,0|2,0,0]=4 1457 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 1458 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 1459 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 1460 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,2,0,0,0,0|2,0,0]=4 1461 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,2,0,0,0,0|2,0,0]=4 1462 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,2,0,0,0,0|2,0,0]=4 1463 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [0,2,0,0,0,0|2,0,0]=4 1464 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [0,2,0,0,0,0|1,1,0]=4 1465 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,2,0,0,0,0|2,0,0]=4 1466 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|2,0,0]=4 1467 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,2,0,0,0,0|2,0,0]=4 1468 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|1,0,0]=3 1469 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,2,0,0,0,0|1,1,0]=4 1470 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [0,2,0,0,0,0|1,0,1]=4 1471 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|1,0,1]=4 1472 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|1,0,1]=4 1473 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|1,0,1]=4 1474 B10R0.91 CC=CCC(=O)COCCO 1458a_100000708028_100000070051 [0,2,0,0,0,0|1,0,1]=4 1475 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [0,2,0,0,0,0|2,0,0]=4 1476 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,2,0,0,0,0|2,0,0]=4 1477 B10R0.91 CCC#CCC(=O)C=COC 1458a_100016268678_100009813939 [0,2,0,0,0,0|1,1,0]=4 1478 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,2,0,0,0,0|2,0,0]=4 1479 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,2,0,0,0,0|2,0,0]=4 1480 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|2,0,0]=4 1481 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|2,0,0]=4 1482 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|2,0,0]=4 1483 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|2,0,0]=4 1484 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|1,0,0]=3 1485 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|1,1,0]=4 1486 B10R0.91 CCC=CC(=O)NCCC#N 11a_100000720768_100000212282 [0,2,0,0,0,0|2,0,0]=4 1487 B10R0.91 CCC=CC(=O)NCCC#N 1626a_100000720768_100000212282 [0,2,0,0,0,0|2,0,0]=4 1488 B10R0.91 CCC=CC(=O)NCCC#N 240690a_100000720768_100000212282 [0,2,0,0,0,0|2,0,0]=4 1489 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 1490 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 1491 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 1492 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 1493 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 1494 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,2,0,0,0,0|2,0,0]=4 1495 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,2,0,0,0,0|2,0,0]=4 1496 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,2,0,0,0,0|2,0,0]=4 1497 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,2,0,0,0,0|2,0,0]=4 1498 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 1499 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 1500 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,2,0,0,0,0|2,0,0]=4 1501 B10R0.91 CCC=CC(=O)NNCCC 22a_100000740057_100000212282 [0,2,0,0,0,0|2,0,0]=4 1502 B10R0.91 CCC=CC(=O)NNCCO 22a_100000210001_100000212282 [0,2,0,0,0,0|2,0,0]=4 1503 B10R0.91 CCC=NNC(=O)COCC 4a_100000216846_100000210100 [0,2,0,0,0,0|2,0,0]=4 1504 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,2,0,0,0,0|2,0,0]=4 1505 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,2,0,0,0,0|2,0,0]=4 1506 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,2,0,0,0,0|2,0,0]=4 1507 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,2,0,0,0,0|2,0,0]=4 1508 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,2,0,0,0,0|2,0,0]=4 1509 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,2,0,0,0,0|2,0,0]=4 1510 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,2,0,0,0,0|2,0,0]=4 1511 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,2,0,0,0,0|2,0,0]=4 1512 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 1513 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 1514 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,2,0,0,0,0|2,0,0]=4 1515 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,2,0,0,0,0|2,0,0]=4 1516 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,2,0,0,0,0|2,0,0]=4 1517 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,2,0,0,0,0|1,1,0]=4 1518 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,2,0,0,0,0|1,1,0]=4 1519 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|1,1,0]=4 1520 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|1,1,0]=4 1521 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|1,1,0]=4 1522 B10R0.91 CCCNC(=O)C=CCOC 11a_100020643023_100016285016 [0,2,0,0,0,0|1,1,0]=4 1523 B10R0.91 CCCNC(=O)C=CCOC 1626a_100020643023_100016285016 [0,2,0,0,0,0|1,1,0]=4 1524 B10R0.91 CCCNC(=O)C=CCOC 240690a_100020643023_100016285016 [0,2,0,0,0,0|1,1,0]=4 1525 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [0,2,0,0,0,0|1,1,0]=4 1526 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [0,2,0,0,0,0|1,1,0]=4 1527 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [0,2,0,0,0,0|1,1,0]=4 1528 B10R0.91 CCCNNC(=O)C=COC 22a_100000740057_100016268678 [0,2,0,0,0,0|1,1,0]=4 1529 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,2,0,0,0,0|0,0,2]=4 1530 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,2,0,0,0,0|0,0,2]=4 1531 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,2,0,0,0,0|1,0,1]=4 1532 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [0,2,0,0,0,0|1,0,1]=4 1533 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,2,0,0,0,0|0,0,2]=4 1534 B10R0.91 CCNNC(=O)C=CCOC 22a_100000756455_100016285016 [0,2,0,0,0,0|1,1,0]=4 1535 B10R0.91 CCNNC(=O)C=COCC 22a_100000756455_100016266692 [0,2,0,0,0,0|1,1,0]=4 1536 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [0,2,0,0,0,0|1,1,0]=4 1537 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,2,0,0,0,0|1,1,0]=4 1538 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [0,2,0,0,0,0|1,1,0]=4 1539 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [0,2,0,0,0,0|0,0,2]=4 1540 B10R0.91 CCOC=CC(=O)NCCF 11a_100000724931_100016266692 [0,2,0,0,0,0|1,1,0]=4 1541 B10R0.91 CCOC=CC(=O)NCCF 1626a_100000724931_100016266692 [0,2,0,0,0,0|1,1,0]=4 1542 B10R0.91 CCOC=CC(=O)NCCF 240690a_100000724931_100016266692 [0,2,0,0,0,0|1,1,0]=4 1543 B10R0.91 CCOC=CC(=O)NCCO 240690a_100000210304_100016266692 [0,2,0,0,0,0|1,1,0]=4 1544 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|0,0,2]=4 1545 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,2,0,0,0,0|0,0,2]=4 1546 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,2,0,0,0,0|0,0,2]=4 1547 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,2,0,0,0,0|0,0,2]=4 1548 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,2,0,0,0,0|0,0,2]=4 1549 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,2,0,0,0,0|0,1,0]=3 1550 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|0,0,2]=4 1551 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|0,0,2]=4 1552 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|0,2,0]=4 1553 B10R0.91 COC=CC(=O)CCCC#N 1458a_100016268678_100000211468 [0,2,0,0,0,0|1,1,0]=4 1554 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,2,0,0,0,0|1,1,0]=4 1555 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,2,0,0,0,0|1,1,0]=4 1556 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,2,0,0,0,0|1,1,0]=4 1557 B10R0.91 COC=CC(=O)NCCC#N 1626a_100000720768_100016268678 [0,2,0,0,0,0|1,1,0]=4 1558 B10R0.91 COC=CC(=O)NCCC#N 240690a_100000720768_100016268678 [0,2,0,0,0,0|1,1,0]=4 1559 B10R0.91 COC=CC(=O)NCCCF 1626a_100015189416_100016268678 [0,2,0,0,0,0|1,1,0]=4 1560 B10R0.91 COC=CC(=O)NCCCF 240690a_100015189416_100016268678 [0,2,0,0,0,0|1,1,0]=4 1561 B10R0.91 COC=CC(=O)NCCCO 240690a_100000182051_100016268678 [0,2,0,0,0,0|1,1,0]=4 1562 B10R0.91 COC=CC(=O)NCCOC 1626a_100000209980_100016268678 [0,2,0,0,0,0|1,1,0]=4 1563 B10R0.91 COC=CC(=O)NCCOC 240690a_100000209980_100016268678 [0,2,0,0,0,0|1,1,0]=4 1564 B10R0.91 COC=CC(=O)NCCSC 1626a_100020590264_100016268678 [0,2,0,0,0,0|1,1,0]=4 1565 B10R0.91 COC=CC(=O)NCCSC 240690a_100020590264_100016268678 [0,2,0,0,0,0|1,1,0]=4 1566 B10R0.91 COC=CC(=O)NNCCO 22a_100000210001_100016268678 [0,2,0,0,0,0|1,1,0]=4 1567 B10R0.91 COCC=CC(=O)CCCF 1458a_100016285016_100011934791 [0,2,0,0,0,0|1,1,0]=4 1568 B10R0.91 COCC=CC(=O)CCCO 1458a_100016285016_100011215043 [0,2,0,0,0,0|1,1,0]=4 1569 B10R0.91 COCC=CC(=O)CCOC 1458a_100016285016_100000233755 [0,2,0,0,0,0|1,1,0]=4 1570 B10R0.91 COCC=CC(=O)CCSC 1458a_100016285016_100000751147 [0,2,0,0,0,0|1,1,0]=4 1571 B10R0.91 COCC=CC(=O)NCCF 11a_100000724931_100016285016 [0,2,0,0,0,0|1,1,0]=4 1572 B10R0.91 COCC=CC(=O)NCCF 1626a_100000724931_100016285016 [0,2,0,0,0,0|1,1,0]=4 1573 B10R0.91 COCC=CC(=O)NCCF 240690a_100000724931_100016285016 [0,2,0,0,0,0|1,1,0]=4 1574 B10R0.91 COCC=CC(=O)NCCO 240690a_100000210304_100016285016 [0,2,0,0,0,0|1,1,0]=4 1575 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,2,0,0,0,0|0,0,2]=4 1576 B10R0.108 CC=C(C)C=CC(=O)CCC 1458a_100000692105_100000210303 [0,2,0,0,0,0|2,0,0]=4 1577 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,2,0,0,0,0|2,0,0]=4 1578 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,2,0,0,0,0|1,0,0]=3 1579 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,2,0,0,0,0|1,0,0]=3 1580 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,2,0,0,0,0|1,0,0]=3 1581 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,2,0,0,0,0|1,0,0]=3 1582 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|1,0,1]=4 1583 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|1,0,1]=4 1584 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 1585 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 1586 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|0,0,2]=4 1587 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|0,0,2]=4 1588 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|0,0,2]=4 1589 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|0,0,2]=4 1590 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,2,0,0,0,0|1,0,1]=4 1591 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|1,0,1]=4 1592 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,2,0,0,0,0|1,0,1]=4 1593 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 1594 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 1595 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,2,0,0,0,0|1,0,1]=4 1596 B10R0.21 CCC(CC)C(=O)C=COC 1458a_100016268678_100000210505 [0,2,0,0,0,0|1,1,0]=4 1597 B10R0.21 CCC=CC(=O)C(CC)CC 1458a_100000212282_100000210505 [0,2,0,0,0,0|2,0,0]=4 1598 B10R0.21 CCC=CC(=O)N(CC)CC 11a_100000724800_100000212282 [0,2,0,0,0,0|2,0,0]=4 1599 B10R0.21 CCC=CC(=O)N(CC)CC 1626a_100000724800_100000212282 [0,2,0,0,0,0|2,0,0]=4 1600 B10R0.21 CCC=CC(=O)N(CC)CC 240690a_100000724800_100000212282 [0,2,0,0,0,0|2,0,0]=4 1601 B10R0.21 CCN(CC)C(=O)C=COC 1626a_100000724800_100016268678 [0,2,0,0,0,0|1,1,0]=4 1602 B10R0.21 CCN(CC)C(=O)C=COC 240690a_100000724800_100016268678 [0,2,0,0,0,0|1,1,0]=4 1603 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,2,0,0,0,0|2,0,0]=4 1604 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100016988807 [0,2,0,0,0,0|2,0,0]=4 1605 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100016988807 [0,2,0,0,0,0|2,0,0]=4 1606 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 240690a_100000225621_100016988807 [0,2,0,0,0,0|2,0,0]=4 1607 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 527a_100000225621_100016988807 [0,2,0,0,0,0|2,0,0]=4 1608 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,2,0,0,0,0|1,0,1]=4 1609 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,2,0,0,0,0|0,0,1]=3 1610 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,2,0,0,0,0|0,0,1]=3 1611 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,2,0,0,0,0|0,0,1]=3 1612 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,2,0,0,0,0|0,0,1]=3 1613 B10R0.35 CCOC(=O)C(=O)N(C)CC 11a_100000225621_100014798877 [0,2,0,0,0,0|2,0,0]=4 1614 B10R0.35 CCOC(=O)C(=O)N(C)CC 1626a_100000225621_100014798877 [0,2,0,0,0,0|2,0,0]=4 1615 B10R0.35 CCOC(=O)C(=O)N(C)CC 240690a_100000225621_100014798877 [0,2,0,0,0,0|2,0,0]=4 1616 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|1,0,1]=4 1617 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|1,0,1]=4 1618 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,2,0,0,0,0|1,0,1]=4 1619 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 1620 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 1621 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,2,0,0,0,0|1,0,1]=4 1622 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|1,0,1]=4 1623 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,2,0,0,0,0|2,0,0]=4 1624 B10R0.46 CCC(=CC(=O)N(C)CC)C 11a_100000225621_100020758463 [0,2,0,0,0,0|2,0,0]=4 1625 B10R0.46 CCC(=CC(=O)N(C)CC)C 1626a_100000225621_100020758463 [0,2,0,0,0,0|2,0,0]=4 1626 B10R0.46 CCC(=CC(=O)N(C)CC)C 240690a_100000225621_100020758463 [0,2,0,0,0,0|2,0,0]=4 1627 B10R0.57 CCC(C)C(=O)C=CC(C)C 1458a_100016268746_100000758301 [0,2,0,0,0,0|2,0,0]=4 1628 B10R0.57 CCN(C)C(=O)C=CC(C)C 11a_100000225621_100016268746 [0,2,0,0,0,0|2,0,0]=4 1629 B10R0.57 CCN(C)C(=O)C=CC(C)C 1626a_100000225621_100016268746 [0,2,0,0,0,0|2,0,0]=4 1630 B10R0.57 CCN(C)C(=O)C=CC(C)C 240690a_100000225621_100016268746 [0,2,0,0,0,0|2,0,0]=4 1631 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,2,0,0,0,0|1,0,1]=4 1632 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,2,0,0,0,0|2,0,0]=4 1633 B10R0.78 C=C(C)CCC(=O)C=COC 1458a_100016268678_100000730704 [0,2,0,0,0,0|1,1,0]=4 1634 B10R0.78 C=C(C)CNC(=O)C=CCC 11a_100000765925_100000212282 [0,2,0,0,0,0|2,0,0]=4 1635 B10R0.78 C=C(C)CNC(=O)C=CCC 1626a_100000765925_100000212282 [0,2,0,0,0,0|2,0,0]=4 1636 B10R0.78 C=C(C)CNC(=O)C=CCC 240690a_100000765925_100000212282 [0,2,0,0,0,0|2,0,0]=4 1637 B10R0.78 C=C(C)CNC(=O)C=COC 1626a_100000765925_100016268678 [0,2,0,0,0,0|1,1,0]=4 1638 B10R0.78 C=C(C)CNC(=O)C=COC 240690a_100000765925_100016268678 [0,2,0,0,0,0|1,1,0]=4 1639 B10R0.78 CC(C)C=CC(=O)CCCF 1458a_100016268746_100011934791 [0,2,0,0,0,0|2,0,0]=4 1640 B10R0.78 CC(C)C=CC(=O)CCCO 1458a_100016268746_100011215043 [0,2,0,0,0,0|2,0,0]=4 1641 B10R0.78 CC(C)C=CC(=O)NCCF 11a_100000724931_100016268746 [0,2,0,0,0,0|2,0,0]=4 1642 B10R0.78 CC(C)C=CC(=O)NCCF 1626a_100000724931_100016268746 [0,2,0,0,0,0|2,0,0]=4 1643 B10R0.78 CC(C)C=CC(=O)NCCF 240690a_100000724931_100016268746 [0,2,0,0,0,0|2,0,0]=4 1644 B10R0.78 CC(C)C=CC(=O)NCCO 240690a_100000210304_100016268746 [0,2,0,0,0,0|2,0,0]=4 1645 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,2,0,0,0,0|1,0,1]=4 1646 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,2,0,0,0,0|2,0,0]=4 1647 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,2,0,0,0,0|2,0,0]=4 1648 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [0,2,0,0,0,0|2,0,0]=4 1649 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [0,2,0,0,0,0|2,0,0]=4 1650 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [0,2,0,0,0,0|2,0,0]=4 1651 B10R0.78 CCC=CC(=O)NCC(C)O 11a_100000210904_100000212282 [0,2,0,0,0,0|2,0,0]=4 1652 B10R0.78 CCC=CC(=O)NCC(C)O 240690a_100000210904_100000212282 [0,2,0,0,0,0|2,0,0]=4 1653 B10R0.78 CCC=CC(=O)NCC(F)F 11a_100000765723_100000212282 [0,2,0,0,0,0|2,0,0]=4 1654 B10R0.78 CCC=CC(=O)NCC(F)F 1626a_100000765723_100000212282 [0,2,0,0,0,0|2,0,0]=4 1655 B10R0.78 CCC=CC(=O)NCC(F)F 240690a_100000765723_100000212282 [0,2,0,0,0,0|2,0,0]=4 1656 B10R0.78 CCC=CC(=O)NNC(C)C 22a_100000741168_100000212282 [0,2,0,0,0,0|2,0,0]=4 1657 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,2,0,0,0,0|2,0,0]=4 1658 B10R0.78 CCCNC(=O)C=CC(C)C 11a_100020643023_100016268746 [0,2,0,0,0,0|2,0,0]=4 1659 B10R0.78 CCCNC(=O)C=CC(C)C 1626a_100020643023_100016268746 [0,2,0,0,0,0|2,0,0]=4 1660 B10R0.78 CCCNC(=O)C=CC(C)C 240690a_100020643023_100016268746 [0,2,0,0,0,0|2,0,0]=4 1661 B10R0.78 CCNNC(=O)C=CC(C)C 22a_100000756455_100016268746 [0,2,0,0,0,0|2,0,0]=4 1662 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,2,0,0,0,0|1,0,1]=4 1663 B10R0.78 COC=CC(=O)CCC(C)C 1458a_100016268678_100000210312 [0,2,0,0,0,0|1,1,0]=4 1664 B10R0.78 COC=CC(=O)CCC(C)O 1458a_100016268678_100012276601 [0,2,0,0,0,0|1,1,0]=4 1665 B10R0.78 COC=CC(=O)NCC(C)C 1626a_100000210953_100016268678 [0,2,0,0,0,0|1,1,0]=4 1666 B10R0.78 COC=CC(=O)NCC(C)C 240690a_100000210953_100016268678 [0,2,0,0,0,0|1,1,0]=4 1667 B10R0.78 COC=CC(=O)NCC(C)O 240690a_100000210904_100016268678 [0,2,0,0,0,0|1,1,0]=4 1668 B10R0.78 COC=CC(=O)NCC(F)F 1626a_100000765723_100016268678 [0,2,0,0,0,0|1,1,0]=4 1669 B10R0.78 COC=CC(=O)NCC(F)F 240690a_100000765723_100016268678 [0,2,0,0,0,0|1,1,0]=4 1670 B10R0.78 COC=CC(=O)NNC(C)C 22a_100000741168_100016268678 [0,2,0,0,0,0|1,1,0]=4 1671 B10R0.78 COCCC(=O)C=CC(C)C 1458a_100016268746_100000233755 [0,2,0,0,0,0|2,0,0]=4 1672 B10R0.78 CSCCC(=O)C=CC(C)C 1458a_100016268746_100000751147 [0,2,0,0,0,0|2,0,0]=4 1673 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,2,0,0,0,0|0,0,2]=4 1674 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,2,0,0,0,0|1,0,1]=4 1675 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,2,0,0,0,0|1,0,1]=4 1676 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,2,0,0,0,0|1,0,1]=4 1677 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,2,0,0,0,0|1,0,1]=4 1678 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,2,0,0,0,0|1,0,1]=4 1679 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,2,0,0,0,0|1,0,1]=4 1680 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,2,0,0,0,0|1,0,1]=4 1681 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_100011219049_200000210301 [0,2,0,0,0,0|0,0,2]=4 1682 B10R0.129 CCOC(=O)C(C)(C)CSC 62a_200000210301_100011219049 [0,2,0,0,0,0|0,0,2]=4 1683 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_100011219049_200025704644 [0,2,0,0,0,0|0,0,2]=4 1684 B10R0.129 CCOC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100011219049 [0,2,0,0,0,0|0,0,2]=4 1685 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_100009817193_200000210301 [0,2,0,0,0,0|0,0,2]=4 1686 B10R0.129 CCOC(=O)C(F)(F)CSC 62a_200000210301_100009817193 [0,2,0,0,0,0|0,0,2]=4 1687 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_100009817193_200025704644 [0,2,0,0,0,0|0,0,2]=4 1688 B10R0.129 CCOC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100009817193 [0,2,0,0,0,0|0,0,2]=4 1689 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|1,0,1]=4 1690 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|1,0,1]=4 1691 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|1,0,1]=4 1692 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|1,0,1]=4 1693 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,1,0,0|0,0,1]=3 1694 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,1,0,0|0,0,1]=3 1695 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,1,0,0|0,1,1]=4 1696 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,1,0,0|0,1,1]=4 1697 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,1,0,0|1,1,0]=4 1698 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,1,0,0|1,1,0]=4 1699 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [1,0,0,1,0,0|1,0,1]=4 1700 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [1,0,0,1,0,0|1,0,1]=4 1701 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,0,0,1,0,0|2,0,0]=4 1702 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,0,0,1,0,0|2,0,0]=4 1703 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,1,0,0|0,1,1]=4 1704 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,1,0,0|0,1,1]=4 1705 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [1,0,0,1,0,0|1,0,1]=4 1706 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [1,0,0,1,0,0|1,0,1]=4 1707 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [1,0,0,1,0,0|1,0,1]=4 1708 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [1,0,0,1,0,0|1,0,1]=4 1709 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,1,0,0|0,1,1]=4 1710 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,1,0,0|0,1,1]=4 1711 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,0,0,1,0,0|2,0,0]=4 1712 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,0,0,1,0,0|2,0,0]=4 1713 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [1,0,0,1,0,0|2,0,0]=4 1714 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|1,0,1]=4 1715 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [1,0,0,1,0,0|2,0,0]=4 1716 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [1,0,0,1,0,0|2,0,0]=4 1717 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [1,0,0,1,0,0|2,0,0]=4 1718 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [1,0,0,1,0,0|2,0,0]=4 1719 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [1,0,0,1,0,0|2,0,0]=4 1720 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|1,0,1]=4 1721 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|0,0,2]=4 1722 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,1]=4 1723 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,1]=4 1724 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|1,0,1]=4 1725 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|1,0,1]=4 1726 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|1,0,1]=4 1727 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|1,0,1]=4 1728 B10R1.8 COc1cc(oc(=O)c1)C 34a_100000210952_200000210301 [0,1,0,1,0,0|0,1,1]=4 1729 B10R1.8 COc1cc(oc(=O)c1)C 7a_100000210952_200000210301 [0,1,0,1,0,0|0,1,1]=4 1730 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_100009861981_200000210301 [0,1,0,1,0,0|1,0,1]=4 1731 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_200000210301_100009861981 [0,1,0,1,0,0|1,0,1]=4 1732 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_100009861981_200025704644 [0,1,0,1,0,0|1,0,1]=4 1733 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_200025704644_100009861981 [0,1,0,1,0,0|1,0,1]=4 1734 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 34a_100000210952_200025704644 [0,1,0,1,0,0|0,1,1]=4 1735 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 7a_100000210952_200025704644 [0,1,0,1,0,0|0,1,1]=4 1736 B10R1.16 CCCOc1ccn(n1)C 34a_100012642153_100000210303 [0,1,0,1,0,0|2,0,0]=4 1737 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,1,0,1,0,0|1,0,1]=4 1738 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,1,0,1,0,0|1,0,1]=4 1739 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,1,0,1,0,0|1,1,0]=4 1740 B10R1.16 CCOCc1ccn(n1)C 34a_100000744484_100000210202 [0,1,0,1,0,0|2,0,0]=4 1741 B10R1.16 CCOCc1ccn(n1)C 34a_100121572206_100000726502 [0,1,0,1,0,0|2,0,0]=4 1742 B10R1.16 CSCOc1ccn(n1)C 34a_100012642153_100011218213 [0,1,0,1,0,0|2,0,0]=4 1743 B10R1.16 Cn1ccc(n1)OCCF 34a_100012642153_100011217306 [0,1,0,1,0,0|2,0,0]=4 1744 B10R1.16 Cn1ccc(n1)OCCO 34a_100012642153_100000211926 [0,1,0,1,0,0|2,0,0]=4 1745 B10R1.54 CC(C)Oc1ccn(n1)C 34a_100012642153_100000210206 [0,1,0,1,0,0|2,0,0]=4 1746 B10R1.130 CSCc1oc(=O)oc1C 62a_200000210301_100000068490 [0,1,0,1,0,0|0,0,2]=4 1747 B10R1.130 Cc1oc(=O)oc1CS[13CH3] 62a_200025704644_100000068490 [0,1,0,1,0,0|0,0,2]=4 1748 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,1,0,1,0,0|2,0,0]=4 1749 B10R1.180 CCC=CC(=O)CC1CO1 1458a_100000212282_100011216344 [0,1,0,1,0,0|2,0,0]=4 1750 B10R1.180 CCC=CC(=O)CC1CS1 1458a_100000212282_100000031435 [0,1,0,1,0,0|2,0,0]=4 1751 B10R1.180 CCC=CC(=O)C[C@@H]1CO1 1458a_100000212282_100000745022 [0,1,0,1,0,0|2,0,0]=4 1752 B10R1.180 CCC=CC(=O)NC1CC1 1626a_100000212008_100000212282 [0,1,0,1,0,0|2,0,0]=4 1753 B10R1.180 CCC=CC(=O)NC1CC1 240690a_100000212008_100000212282 [0,1,0,1,0,0|2,0,0]=4 1754 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,1,0,1,0,0|0,0,2]=4 1755 B10R1.180 COC=CC(=O)CC1CC1 1458a_100016268678_100000742324 [0,1,0,1,0,0|1,1,0]=4 1756 B10R1.180 COC=CC(=O)CC1CO1 1458a_100016268678_100011216344 [0,1,0,1,0,0|1,1,0]=4 1757 B10R1.180 COC=CC(=O)CC1CS1 1458a_100016268678_100000031435 [0,1,0,1,0,0|1,1,0]=4 1758 B10R1.180 COC=CC(=O)C[C@@H]1CO1 1458a_100016268678_100000745022 [0,1,0,1,0,0|1,1,0]=4 1759 B10R1.180 COC=CC(=O)NC1CC1 1626a_100000212008_100016268678 [0,1,0,1,0,0|1,1,0]=4 1760 B10R1.180 COC=CC(=O)NC1CC1 240690a_100000212008_100016268678 [0,1,0,1,0,0|1,1,0]=4 1761 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [0,1,0,1,0,0|2,0,0]=4 1762 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [0,1,0,1,0,0|2,0,0]=4 1763 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [0,1,0,1,0,0|2,0,0]=4 1764 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [0,1,0,1,0,0|2,0,0]=4 1765 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [0,1,0,1,0,0|2,0,0]=4 1766 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|0,0,2]=4 1767 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,1,0,0|2,0,0]=4 1768 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,1,0,1,0,0|1,1,0]=4 1769 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,1,0,1,0,0|1,1,0]=4 1770 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,1,0,0|2,0,0]=4 1771 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,1,0,0|2,0,0]=4 1772 B10R1.11 CCNC(=O)C1=CCOC1 11a_100015525214_100000139269 [0,1,0,1,0,0|1,1,0]=4 1773 B10R1.11 CCNC(=O)C1=CCOC1 240690a_100015525214_100000139269 [0,1,0,1,0,0|1,1,0]=4 1774 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,1,0,1,0,0|1,1,0]=4 1775 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|0,0,2]=4 1776 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|0,0,2]=4 1777 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,1,0,1,0,0|1,1,0]=4 1778 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,1,0,1,0,0|1,1,0]=4 1779 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,1,0,1,0,0|1,1,0]=4 1780 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,1,0,1,0,0|1,1,0]=4 1781 B10R1.96 CCCc1ncc([nH]1)SC 62a_200000210301_200009820212 [0,1,0,1,0,0|2,0,0]=4 1782 B10R1.96 CCCc1ncc([nH]1)SC 62a_200009820212_200000210301 [0,1,0,1,0,0|2,0,0]=4 1783 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200009820212_200025704644 [0,1,0,1,0,0|2,0,0]=4 1784 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200025704644_200009820212 [0,1,0,1,0,0|2,0,0]=4 1785 B10R1.96 CCOc1cc(on1)CC 34a_200009875660_100000210202 [0,1,0,1,0,0|1,0,1]=4 1786 B10R1.96 CCOc1nc(cs1)SC 62a_100011934640_200000210301 [0,1,0,1,0,0|1,0,0]=3 1787 B10R1.96 CCOc1nc(cs1)SC 62a_200000210301_100011934640 [0,1,0,1,0,0|1,0,0]=3 1788 B10R1.96 CCOc1nc(cs1)S[13CH3] 62a_100011934640_200025704644 [0,1,0,1,0,0|1,0,0]=3 1789 B10R1.96 CCOc1nc(cs1)S[13CH3] 62a_200025704644_100011934640 [0,1,0,1,0,0|1,0,0]=3 1790 B10R1.96 CCSc1csc(c1)SC 62a_100000210202_200010256830 [0,1,0,1,0,0|0,2,0]=4 1791 B10R1.96 CCSc1csc(c1)SC 62a_200010256830_100000210202 [0,1,0,1,0,0|0,2,0]=4 1792 B10R1.96 CCSc1csc(n1)SC 62a_100000210202_100000732701 [0,1,0,1,0,0|1,1,0]=4 1793 B10R1.96 CCSc1csc(n1)SC 62a_100000732701_100000210202 [0,1,0,1,0,0|1,1,0]=4 1794 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,1,0,1,0,0|2,0,0]=4 1795 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,1,0,1,0,0|2,0,0]=4 1796 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,1,0,1,0,0|2,0,0]=4 1797 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,1,0,1,0,0|2,0,0]=4 1798 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,1,0,1,0,0|2,0,0]=4 1799 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,1,0,1,0,0|2,0,0]=4 1800 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [0,1,0,1,0,0|2,0,0]=4 1801 B10R1.35 CCn1nc([nH]c1=O)SC 62a_200000210301_100009830087 [0,1,0,1,0,0|2,0,0]=4 1802 B10R1.35 CCn1nc([nH]c1=O)S[13CH3] 62a_200025704644_100009830087 [0,1,0,1,0,0|2,0,0]=4 1803 B10R1.35 CCn1nc(cc1C)SC 62a_100010781242_200000210301 [0,1,0,1,0,0|2,0,0]=4 1804 B10R1.35 CCn1nc(cc1C)SC 62a_200000210301_100010781242 [0,1,0,1,0,0|2,0,0]=4 1805 B10R1.35 CCn1nc(cc1C)S[13CH3] 62a_100010781242_200025704644 [0,1,0,1,0,0|2,0,0]=4 1806 B10R1.35 CCn1nc(cc1C)S[13CH3] 62a_200025704644_100010781242 [0,1,0,1,0,0|2,0,0]=4 1807 B10R1.35 CSc1cc(sc1C)C=O 62a_100000708457_200000210301 [0,1,0,1,0,0|0,1,1]=4 1808 B10R1.35 CSc1cc(sc1C)C=O 62a_200000210301_100000708457 [0,1,0,1,0,0|0,1,1]=4 1809 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_100000708457_200025704644 [0,1,0,1,0,0|0,1,1]=4 1810 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_200025704644_100000708457 [0,1,0,1,0,0|0,1,1]=4 1811 B10R1.178 C/C=C/CC(=O)C1CCO1 1458a_100000089072_100102629194 [0,1,0,1,0,0|1,0,1]=4 1812 B10R1.178 CC=CCC(=O)C1CCO1 1458a_100000089072_100000070051 [0,1,0,1,0,0|1,0,1]=4 1813 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [0,1,0,1,0,0|2,0,0]=4 1814 B10R1.178 CCC=CC(=O)C1COC1 1458a_100000212282_100000687716 [0,1,0,1,0,0|2,0,0]=4 1815 B10R1.178 CCC=CC(=O)N1CCC1 11a_100000754969_100000212282 [0,1,0,1,0,0|2,0,0]=4 1816 B10R1.178 CCC=CC(=O)N1CCC1 240690a_100000754969_100000212282 [0,1,0,1,0,0|2,0,0]=4 1817 B10R1.178 COC=CC(=O)C1CCC1 1458a_100016268678_100000749161 [0,1,0,1,0,0|1,1,0]=4 1818 B10R1.178 COC=CC(=O)C1COC1 1458a_100016268678_100000687716 [0,1,0,1,0,0|1,1,0]=4 1819 B10R1.178 COC=CC(=O)N1CCC1 240690a_100000754969_100016268678 [0,1,0,1,0,0|1,1,0]=4 1820 B10R1.178 CSCCC(=O)C1CCO1 1458a_100000089072_100000751147 [0,1,0,1,0,0|0,0,2]=4 1821 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [0,1,0,1,0,0|2,0,0]=4 1822 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [0,1,0,1,0,0|2,0,0]=4 1823 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [0,1,0,1,0,0|0,1,1]=4 1824 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|1,0,1]=4 1825 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [0,1,0,1,0,0|2,0,0]=4 1826 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [0,1,0,1,0,0|2,0,0]=4 1827 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [0,1,0,1,0,0|2,0,0]=4 1828 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [0,1,0,1,0,0|2,0,0]=4 1829 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [0,1,0,1,0,0|2,0,0]=4