0 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,0,0,0,0,0|1,0,1]=2 37 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,0,0,0,0,0|1,0,1]=2 38 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,0,0,0,0,0|1,0,3]=4 42 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,0,0,0,0,0|1,0,3]=4 43 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,0,0,0,0,0|1,0,3]=4 44 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,0,0,0,0,0|1,0,3]=4 45 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,0,0,0,0,0|1,0,1]=2 46 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,0,0,0,0,0|1,0,3]=4 50 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,0,0,0,0,0|1,0,1]=2 55 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,0,0,0,0,0|1,0,1]=2 56 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,0,0,0,0,0|1,0,3]=4 59 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,0,0,0,0,0|1,0,3]=4 60 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,0,0,0,0|2,0,2]=4 61 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,0,0,0,0|2,0,2]=4 63 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,0,0,0,0,0|2,0,2]=4 66 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,0,0,0,0,0|2,0,2]=4 67 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,0,0,0,0,0|2,0,2]=4 68 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,0,0,0,0,0|2,0,2]=4 69 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,0,0,0,0,0|2,0,2]=4 85 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,0,0,0,0,0|2,0,2]=4 88 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,0,0,0,0,0|2,0,2]=4 89 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,0,0,0,0,0|2,0,2]=4 94 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,0,0,0,0,0|2,0,2]=4 95 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,0,0,0,0,0|2,0,2]=4 96 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,0,0,0,0,0|2,0,2]=4 97 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,0,0,0,0,0|2,0,2]=4 98 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,0,0,0,0,0|2,0,2]=4 103 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,0,0,0,0,0|2,0,2]=4 104 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,0,0,0,0,0|2,0,2]=4 105 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,0,0,0,0,0|3,0,1]=4 113 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|1,0,2]=4 129 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|1,0,2]=4 142 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|1,0,2]=4 146 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|1,0,2]=4 149 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|1,0,2]=4 150 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|1,0,2]=4 154 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|1,0,2]=4 155 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,1]=3 183 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,1]=3 184 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,1]=3 185 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|1,0,1]=3 190 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|2,0,0]=3 192 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|1,0,2]=4 197 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|0,0,3]=4 198 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|1,0,2]=4 200 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|3,0,0]=4 217 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,1,0,0,0,0|1,0,2]=4 223 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,1,0,0,0,0|1,0,2]=4 224 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,0,0,0,0|1,0,2]=4 231 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|1,0,2]=4 232 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|1,0,2]=4 233 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|1,0,2]=4 234 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|1,0,2]=4 235 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,1,0,0,0,0|1,0,1]=3 257 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|1,0,1]=3 259 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|1,0,1]=3 260 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|1,0,1]=3 263 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|1,0,1]=3 264 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|1,0,1]=3 265 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|1,0,1]=3 266 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,0,0,0,0|1,0,1]=3 267 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,0,0,0,0|1,0,1]=3 268 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|1,0,1]=3 269 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|1,0,1]=3 270 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|1,0,1]=3 271 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,1,0,0,0,0|1,0,1]=3 275 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,1,0,0,0,0|1,0,1]=3 276 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,1,0,0,0,0|1,0,1]=3 277 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,1,0,0,0,0|1,0,1]=3 278 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,1,0,0,0,0|1,0,2]=4 279 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,1,0,0,0,0|1,0,2]=4 280 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,1,0,0,0,0|1,0,2]=4 281 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,1,0,0,0,0|1,0,2]=4 282 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,1,0,0,0,0|1,0,2]=4 283 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,1,0,0,0,0|1,0,2]=4 284 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,0,0,0,0|1,0,2]=4 286 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,0,0,0,0|1,0,2]=4 289 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|0,0,2]=3 295 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|0,0,2]=3 296 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,0,0,0,0|0,0,2]=3 297 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,0,0,0,0|0,0,2]=3 298 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,0,0,0,0|0,0,2]=3 299 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|1,0,2]=4 304 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,1,0,0,0,0|1,0,1]=3 307 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,1,0,0,0,0|1,0,1]=3 308 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,1,0,0,0,0|1,0,1]=3 309 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,1,0,0,0,0|1,0,1]=3 310 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,1,0,0,0,0|1,0,1]=3 311 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,0,0,0,0|1,0,2]=4 314 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,0,0,0,0|1,0,2]=4 315 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,0,0,0,0|1,0,2]=4 316 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,0,0,0,0|1,0,2]=4 317 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,0,0,0,0|1,0,1]=3 322 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,0,0,0,0|1,0,1]=3 323 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,0,0,0,0|1,0,2]=4 338 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,0,0,0,0|1,0,0]=2 339 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,0,0,0,0|1,0,0]=2 340 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,0,0,0,0|1,0,0]=2 341 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,0,0,0,0|1,0,2]=4 342 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,0,0,0,0|1,0,2]=4 343 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|1,0,2]=4 344 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|0,0,3]=4 345 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|0,0,3]=4 346 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,1,0,0,0,0|1,0,1]=3 349 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,0,0,0,0|1,0,0]=2 350 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,0,0,0,0|2,0,0]=3 351 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,0,0,0,0|2,0,0]=3 352 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,0,0,0,0|2,0,0]=3 353 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|1,0,2]=4 354 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 356 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,1,0,0,0,0|2,0,0]=3 359 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,1,0,0,0,0|2,0,0]=3 360 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,1,0,0,0,0|2,0,0]=3 364 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,1,0,0,0,0|0,0,2]=3 386 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,1,0,0,0,0|0,0,0]=1 389 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,1,0,0,0,0|0,0,2]=3 390 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,1,0,0,0,0|0,0,2]=3 391 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,0,0,0,0|0,0,2]=3 392 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,0,0,0,0|0,0,2]=3 393 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,0,0,0,0|1,0,2]=4 394 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,1,0,0,0,0|1,0,2]=4 395 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,1,0,0,0,0|1,0,2]=4 396 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,1,0,0,0,0|1,0,1]=3 397 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,1,0,0,0,0|1,0,1]=3 398 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,1,0,0,0,0|1,0,1]=3 399 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,1,0,0,0,0|1,0,1]=3 400 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,1,0,0,0,0|1,0,1]=3 401 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,1,0,0,0,0|1,0,1]=3 402 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,1,0,0,0,0|1,0,1]=3 403 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,1,0,0,0,0|2,0,0]=3 407 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,1,0,0,0,0|0,0,0]=1 409 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,0,0,0,0|0,0,2]=3 410 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,1,0,0,0,0|1,0,1]=3 411 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,1,0,0,0,0|1,0,1]=3 412 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,1,0,0,0,0|1,0,1]=3 413 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,1,0,0,0,0|1,0,1]=3 414 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,1,0,0,0,0|1,0,1]=3 417 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,1,0,0,0,0|1,0,1]=3 418 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,1,0,0,0,0|1,0,1]=3 419 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,1,0,0,0,0|1,0,1]=3 421 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,1,0,0,0,0|1,0,1]=3 422 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,1,0,0,0,0|1,0,1]=3 423 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,1,0,0,0,0|1,0,1]=3 424 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,1,0,0,0,0|1,0,1]=3 425 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,0,0,0,0|1,0,2]=4 427 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,0,0,0,0|1,0,2]=4 428 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,0,0,0,0|1,0,2]=4 429 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,0,0,0,0|1,0,2]=4 430 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,1,0,0,0,0|1,0,2]=4 431 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,1,0,0,0,0|1,0,1]=3 438 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,1,0,0,0,0|1,0,1]=3 439 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,1,0,0,0,0|1,0,1]=3 440 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,1,0,0,0,0|1,0,1]=3 441 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,1,0,0,0,0|1,0,1]=3 442 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,1,0,0,0,0|3,0,0]=4 443 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|2,0,1]=4 444 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,1,0,0|1,0,2]=4 445 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,0,0,1,0,0|2,0,1]=4 446 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|2,0,1]=4 447 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,0,0,1,0,0|2,0,1]=4 448 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,0,0,1,0,0|2,0,1]=4 449 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,0,0,1,0,0|2,0,1]=4 450 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,0,0,1,0,0|2,0,1]=4 451 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,0,0,1,0,0|2,0,1]=4 452 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,0,0,1,0,0|2,0,1]=4 453 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,0,0,1,0,0|2,0,1]=4 454 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,0,0,1,0,0|2,0,1]=4 455 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,0,0,1,0,0|2,0,1]=4 456 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [0,0,0,1,0,0|3,0,0]=4 457 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,0,1,0,0|1,0,1]=3 458 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,0,1,0,0|1,0,1]=3 459 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|1,0,1]=4 461 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 462 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 463 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 464 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 465 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 466 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 467 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 468 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 470 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 471 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 477 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 478 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 481 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 482 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|1,0,1]=4 486 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|1,0,1]=4 487 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 488 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 489 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 490 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 491 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 492 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 493 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 494 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 495 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,1,0,0,0,0|0,0,1]=3 496 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,1,0,0,0,0|0,0,1]=3 497 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,1,0,0,0,0|0,0,1]=3 503 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,1,0,0,0,0|0,0,1]=3 504 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,1,0,0,0,0|0,0,1]=3 505 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,1,0,0,0,0|0,0,1]=3 506 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 509 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 510 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 513 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,1,0,0,0,0|1,0,1]=4 515 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|0,0,1]=3 517 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|1,0,1]=4 518 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|0,0,1]=3 520 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|1,0,1]=4 522 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,1]=3 523 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,1]=3 524 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,1]=4 525 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,1]=4 526 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,1]=4 527 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,1]=4 528 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 529 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 530 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 531 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,0]=3 532 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,1]=3 533 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|1,0,1]=4 536 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,1]=4 537 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,1]=4 538 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|1,0,1]=4 539 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,1]=4 541 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [1,1,0,0,0,0|0,0,2]=4 544 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,1,0,0,0,0|0,0,0]=2 545 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [1,1,0,0,0,0|1,0,0]=3 547 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,1,0,0,0,0|0,0,2]=4 550 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,1,0,0,0,0|0,0,2]=4 551 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,1,0,0,0,0|0,0,2]=4 552 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 556 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,1,0,0,0,0|0,0,2]=4 566 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,1,0,0,0,0|0,0,2]=4 567 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,1,0,0,0,0|0,0,2]=4 568 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|0,1,1]=4 569 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|0,1,1]=4 570 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|0,1,1]=4 571 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|0,1,1]=4 572 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|0,0,2]=4 577 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|0,0,2]=4 578 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|0,0,2]=4 579 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|0,0,2]=4 580 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|0,0,2]=4 581 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|0,0,2]=4 584 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|0,0,2]=4 585 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,1,0,0,0,0|1,0,1]=4 587 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,1,0,0,0,0|1,0,1]=4 590 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,1,0,0,0,0|1,0,1]=4 596 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|0,0,2]=4 597 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|0,0,2]=4 598 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [0,2,0,0,0,0|2,0,0]=4 601 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,2,0,0,0,0|2,0,0]=4 603 B8R0.2 C=CC(C)C(=O)C(C)C 1458a_100011216780_100000210206 [0,2,0,0,0,0|1,0,1]=4 604 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,2,0,0,0,0|2,0,0]=4 605 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,2,0,0,0,0|1,0,1]=4 606 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|1,0,1]=4 608 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|1,0,1]=4 609 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,2,0,0,0,0|1,0,0]=3 616 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,2,0,0,0,0|0,0,2]=4 617 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,2,0,0,0,0|0,0,2]=4 618 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,2,0,0,0,0|1,0,0]=3 620 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 621 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 623 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,2,0,0,0,0|2,0,0]=4 625 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,2,0,0,0,0|2,0,0]=4 626 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,2,0,0,0,0|2,0,0]=4 627 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|1,0,0]=3 628 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,2,0,0,0,0|2,0,0]=4 629 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 630 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 631 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.16 CC(C)NC(C=O)C=O 2230a_100138425928_100000736813 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.16 CC(C)NC(C=O)C=O 34a_100138425928_100000736813 [0,2,0,0,0,0|1,0,1]=4 634 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [0,2,0,0,0,0|1,0,1]=4 635 B8R0.16 CC(C)SC(C=O)C=O 62a_100000210206_100000736813 [0,2,0,0,0,0|1,0,1]=4 636 B8R0.16 CC(C)SC(C=O)C=O 62a_100000736813_100000210206 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,2,0,0,0,0|1,0,1]=4 638 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,2,0,0,0,0|1,0,1]=4 639 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,2,0,0,0,0|1,0,1]=4 640 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,2,0,0,0,0|2,0,0]=4 643 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,2,0,0,0,0|2,0,0]=4 644 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,2,0,0,0,0|2,0,0]=4 646 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,2,0,0,0,0|1,0,1]=4 648 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,2,0,0,0,0|1,0,1]=4 651 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,2,0,0,0,0|2,0,0]=4 654 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,2,0,0,0,0|1,0,1]=4 656 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,2,0,0,0,0|1,0,0]=3 657 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,2,0,0,0,0|1,0,0]=3 658 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,2,0,0,0,0|1,0,0]=3 659 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,2,0,0,0,0|2,0,0]=4 661 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,2,0,0,0,0|2,0,0]=4 662 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,2,0,0,0,0|2,0,0]=4 665 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,2,0,0,0,0|2,0,0]=4 667 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,2,0,0,0,0|1,0,1]=4 668 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,2,0,0,0,0|1,0,0]=3 669 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,2,0,0,0,0|0,0,2]=4 670 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,2,0,0,0,0|1,0,1]=4 672 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,2,0,0,0,0|1,0,1]=4 673 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,2,0,0,0,0|1,0,1]=4 674 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,2,0,0,0,0|0,0,1]=3 675 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,2,0,0,0,0|1,0,1]=4 676 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,2,0,0,0,0|1,0,1]=4 677 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,2,0,0,0,0|1,0,1]=4 684 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,2,0,0,0,0|1,0,1]=4 685 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,2,0,0,0,0|0,0,2]=4 686 B8R0.23 CC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210206 [0,2,0,0,0,0|1,0,0]=3 687 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,2,0,0,0,0|0,0,1]=3 688 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,2,0,0,0,0|0,0,1]=3 689 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,2,0,0,0,0|0,0,1]=3 690 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,2,0,0,0,0|0,0,2]=4 692 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,2,0,0,0,0|1,0,1]=4 693 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,2,0,0,0,0|1,0,1]=4 695 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,2,0,0,0,0|1,0,0]=3 698 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,2,0,0,0,0|1,0,0]=3 699 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,2,0,0,0,0|1,0,1]=4 700 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,2,0,0,0,0|1,0,1]=4 701 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,2,0,0,0,0|1,0,1]=4 702 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,2,0,0,0,0|1,0,1]=4 703 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,2,0,0,0,0|1,0,1]=4 709 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,2,0,0,0,0|1,0,1]=4 710 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,2,0,0,0,0|1,0,1]=4 715 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,2,0,0,0,0|1,0,1]=4 716 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,2,0,0,0,0|1,0,1]=4 721 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 1626a_100102631434_100000137448 [0,2,0,0,0,0|2,0,0]=4 722 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 240690a_100102631434_100000137448 [0,2,0,0,0,0|2,0,0]=4 723 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,2,0,0,0,0|1,0,1]=4 724 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,2,0,0,0,0|1,0,1]=4 726 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,2,0,0,0,0|1,0,1]=4 727 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,2,0,0,0,0|2,0,0]=4 731 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,2,0,0,0,0|1,0,1]=4 732 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,2,0,0,0,0|1,0,1]=4 733 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.1 CC#CC(C)OCC=O 34a_100011216543_200009817547 [0,2,0,0,0,0|1,0,1]=4 737 B8R0.1 CC(CC#N)SCC=O 62a_100009813641_200015260668 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.1 CC(CC#N)SCC=O 62a_200015260668_100009813641 [0,2,0,0,0,0|1,0,1]=4 739 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|1,0,1]=4 743 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|1,0,1]=4 745 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|1,0,1]=4 746 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,2,0,0,0,0|1,0,1]=4 749 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,2,0,0,0,0|1,0,1]=4 750 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,2,0,0,0,0|1,0,1]=4 751 B8R0.1 C[C@@H](CC#N)NCC=O 2230a_100016994482_200015260668 [0,2,0,0,0,0|1,0,1]=4 752 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|1,0,1]=4 753 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|1,0,1]=4 754 B8R0.3 C#CC(C)C(=O)C=CBr 1458a_100016273825_200000035995 [0,2,0,0,0,0|1,0,1]=4 755 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,2,0,0,0,0|1,0,1]=4 756 B8R0.3 C#CC(C)C(=O)C=CCl 1458a_200016279998_200000035995 [0,2,0,0,0,0|1,0,1]=4 757 B8R0.3 C#CC(C)C(=O)C=CI 1458a_100016256311_200000035995 [0,2,0,0,0,0|1,0,1]=4 758 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|1,0,1]=4 761 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|1,0,1]=4 762 B8R0.3 CC(C#N)C(=O)C=CBr 1458a_100016273825_100000703298 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.3 CC(C#N)C(=O)C=CCl 1458a_200016279998_100000703298 [0,2,0,0,0,0|1,0,1]=4 764 B8R0.3 CC(C#N)C(=O)C=CI 1458a_100016256311_100000703298 [0,2,0,0,0,0|1,0,1]=4 765 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,2,0,0,0,0|1,0,1]=4 766 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,2,0,0,0,0|1,0,1]=4 767 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,2,0,0,0,0|1,0,1]=4 768 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 772 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,0]=3 774 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|1,0,1]=4 776 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|1,0,1]=4 777 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,2,0,0,0,0|2,0,0]=4 778 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,2,0,0,0,0|2,0,0]=4 779 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,2,0,0,0,0|2,0,0]=4 782 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,2,0,0,0,0|1,0,1]=4 784 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [0,2,0,0,0,0|1,0,1]=4 786 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [0,2,0,0,0,0|1,0,1]=4 787 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [0,2,0,0,0,0|1,0,1]=4 788 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [0,2,0,0,0,0|1,0,1]=4 789 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,2,0,0,0,0|1,0,1]=4 790 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,2,0,0,0,0|1,0,1]=4 791 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [0,2,0,0,0,0|1,0,1]=4 793 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [0,2,0,0,0,0|1,0,1]=4 794 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [0,2,0,0,0,0|1,0,1]=4 796 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|0,0,2]=4 797 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|0,0,2]=4 798 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,2,0,0,0,0|1,0,1]=4 799 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [0,2,0,0,0,0|1,0,1]=4 800 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,2,0,0,0,0|1,0,1]=4 801 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [0,2,0,0,0,0|1,0,1]=4 803 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [0,2,0,0,0,0|1,0,1]=4 804 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,2,0,0,0,0|1,0,1]=4 806 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [0,2,0,0,0,0|1,0,1]=4 807 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [0,2,0,0,0,0|1,0,1]=4 808 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [0,2,0,0,0,0|1,0,1]=4 809 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [0,2,0,0,0,0|1,0,1]=4 810 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,2,0,0,0,0|0,0,2]=4 812 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,2,0,0,0,0|0,0,2]=4 813 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,2,0,0,0,0|0,0,2]=4 814 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,2,0,0,0,0|0,0,2]=4 815 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,2,0,0,0,0|0,0,2]=4 816 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,2,0,0,0,0|0,0,2]=4 817 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,2,0,0,0,0|0,0,2]=4 818 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,2,0,0,0,0|0,0,2]=4 819 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,2,0,0,0,0|0,0,2]=4 820 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,2,0,0,0,0|0,0,2]=4 821 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,2,0,0,0,0|1,0,0]=3 822 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,2,0,0,0,0|2,0,0]=4 823 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|2,0,0]=4 824 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.8 C/C=C/CN(C)C(C)C 269982a_200000211004_100102629194 [0,2,0,0,0,0|1,0,1]=4 826 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,2,0,0,0,0|1,0,0]=3 827 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,2,0,0,0,0|1,0,1]=4 830 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 831 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|1,0,1]=4 835 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,2,0,0,0,0|0,0,2]=4 837 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,2,0,0,0,0|0,0,2]=4 838 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,2,0,0,0,0|1,0,0]=3 839 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,2,0,0,0,0|1,0,0]=3 840 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,2,0,0,0,0|2,0,0]=4 841 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 842 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 843 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 844 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,2,0,0,0,0|2,0,0]=4 845 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|2,0,0]=4 846 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,2,0,0,0,0|2,0,0]=4 852 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,2,0,0,0,0|0,0,1]=3 853 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [0,2,0,0,0,0|1,0,1]=4 854 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [0,2,0,0,0,0|1,0,1]=4 855 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,2,0,0,0,0|0,0,2]=4 856 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,2,0,0,0,0|0,0,2]=4 857 B8R0.9 C=CC(=NNC(C)C)C 4a_100000741168_200015361842 [0,2,0,0,0,0|2,0,0]=4 858 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,2,0,0,0,0|0,0,2]=4 859 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,2,0,0,0,0|0,0,2]=4 860 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,2,0,0,0,0|1,0,1]=4 861 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,2,0,0,0,0|1,0,1]=4 862 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,2,0,0,0,0|2,0,0]=4 863 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,2,0,0,0,0|0,0,2]=4 864 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,2,0,0,0,0|0,0,2]=4 865 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,2,0,0,0,0|1,0,1]=4 866 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,2,0,0,0,0|1,0,1]=4 867 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,2,0,0,0,0|1,0,1]=4 868 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,2,0,0,0,0|0,0,0]=2 869 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,2,0,0,0,0|0,0,2]=4 870 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,2,0,0,0,0|0,0,2]=4 871 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|1,0,1]=4 873 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,2,0,0,0,0|2,0,0]=4 874 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,2,0,0,0,0|1,0,1]=4 875 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,2,0,0,0,0|1,0,1]=4 877 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|1,0,1]=4 880 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,2,0,0,0,0|1,0,1]=4 883 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,2,0,0,0,0|1,0,1]=4 884 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,2,0,0,0,0|0,0,1]=3 885 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,2,0,0,0,0|0,0,1]=3 886 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,2,0,0,0,0|0,0,0]=2 887 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,2,0,0,0,0|0,0,2]=4 888 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,2,0,0,0,0|0,0,2]=4 889 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|0,0,2]=4 890 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|0,0,2]=4 891 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|1,0,1]=4 892 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|1,0,1]=4 893 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,2,0,0,0,0|1,0,1]=4 894 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,2,0,0,0,0|1,0,1]=4 896 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,2,0,0,0,0|1,0,1]=4 897 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,2,0,0,0,0|1,0,1]=4 898 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,2,0,0,0,0|1,0,1]=4 899 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,2,0,0,0,0|1,0,1]=4 900 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|0,0,2]=4 902 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|0,0,2]=4 903 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,2,0,0,0,0|1,0,1]=4 904 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,2,0,0,0,0|1,0,1]=4 905 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,2,0,0,0,0|1,0,1]=4 906 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,2,0,0,0,0|1,0,1]=4 907 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,2,0,0,0,0|1,0,1]=4 908 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,2,0,0,0,0|1,0,1]=4 909 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|1,0,1]=4 910 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,2,0,0,0,0|2,0,0]=4 911 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|1,0,1]=4 912 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,2,0,0,0,0|1,0,1]=4 913 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,2,0,0,0,0|1,0,1]=4 914 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,2,0,0,0,0|1,0,1]=4 915 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,2,0,0,0,0|1,0,1]=4 916 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,2,0,0,0,0|1,0,1]=4 918 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,2,0,0,0,0|1,0,1]=4 919 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,2,0,0,0,0|0,0,0]=2 920 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,2,0,0,0,0|0,0,0]=2 921 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,2,0,0,0,0|0,0,0]=2 922 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,2,0,0,0,0|0,0,2]=4 923 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,2,0,0,0,0|0,0,2]=4 924 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,2,0,0,0,0|0,0,2]=4 925 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,2,0,0,0,0|0,0,2]=4 926 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,2,0,0,0,0|0,0,2]=4 927 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,2,0,0,0,0|0,0,2]=4 928 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,2,0,0,0,0|0,0,2]=4 929 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,2,0,0,0,0|0,0,2]=4 930 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,2,0,0,0,0|1,0,1]=4 931 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,2,0,0,0,0|1,0,1]=4 932 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,2,0,0,0,0|1,0,1]=4 933 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,2,0,0,0,0|1,0,1]=4 934 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,2,0,0,0,0|1,0,1]=4 935 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,2,0,0,0,0|1,0,1]=4 936 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,2,0,0,0,0|1,0,1]=4 937 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,2,0,0,0,0|1,0,1]=4 938 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,2,0,0,0,0|1,0,1]=4 939 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,2,0,0,0,0|1,0,1]=4 940 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,2,0,0,0,0|1,0,1]=4 941 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,2,0,0,0,0|1,0,1]=4 942 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,2,0,0,0,0|1,0,1]=4 943 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,2,0,0,0,0|1,0,1]=4 944 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,2,0,0,0,0|1,0,1]=4 945 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,2,0,0,0,0|1,0,1]=4 946 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,2,0,0,0,0|1,0,1]=4 947 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,2,0,0,0,0|1,0,1]=4 950 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,2,0,0,0,0|1,0,1]=4 951 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,2,0,0,0,0|2,0,0]=4 952 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,2,0,0,0,0|1,0,1]=4 955 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,2,0,0,0,0|1,0,1]=4 956 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,2,0,0,0,0|1,0,1]=4 957 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,2,0,0,0,0|1,0,1]=4 958 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,2,0,0,0,0|1,0,1]=4 961 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,2,0,0,0,0|1,0,1]=4 962 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,2,0,0,0,0|1,0,1]=4 964 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,2,0,0,0,0|1,0,1]=4 965 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,2,0,0,0,0|1,0,1]=4 968 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,2,0,0,0,0|1,0,1]=4 969 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,2,0,0,0,0|1,0,1]=4 970 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,2,0,0,0,0|1,0,1]=4 971 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,2,0,0,0,0|1,0,1]=4 972 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,2,0,0,0,0|1,0,1]=4 977 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,2,0,0,0,0|1,0,1]=4 978 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,2,0,0,0,0|1,0,1]=4 979 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.11 NCC(CN)OCC=O 34a_100000031598_200009817547 [0,2,0,0,0,0|1,0,1]=4 981 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.11 O=CCOC(CCl)CCl 7a_100000737055_200015260668 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.11 O=CCOC(CF)CF 34a_100000032261_200009817547 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.11 O=CCOC(CF)CF 7a_100000032261_200015260668 [0,2,0,0,0,0|1,0,1]=4 985 B8R0.11 O=CCO[C@@H](CF)CCl 34a_100015614560_200009817547 [0,2,0,0,0,0|1,0,1]=4 986 B8R0.11 O=CCO[C@@H](CF)CCl 7a_100015614560_200015260668 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.25 C#CC(C)(C)NCC=O 34a_100000054563_200009817547 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.25 C#CC(C)(C)OCC=O 34a_100000189450_200009817547 [0,2,0,0,0,0|1,0,1]=4 989 B8R0.25 C#CC(C)(C)OCC=O 7a_100000189450_200015260668 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.25 C#CC(C)(C)SCC=O 62a_100000038118_200015260668 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.25 C#CC(C)(C)SCC=O 62a_200015260668_100000038118 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.25 C=CC(C)(C)OCC=O 34a_100011215311_200009817547 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.25 C=CC(C)(C)OCC=O 7a_100011215311_200015260668 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.25 CC(C)(C#N)OCC=O 34a_200015195151_200009817547 [0,2,0,0,0,0|1,0,1]=4 995 B8R0.25 CC(C)(C#N)SCC=O 62a_100011162410_200015260668 [0,2,0,0,0,0|1,0,1]=4 996 B8R0.25 CC(C)(C#N)SCC=O 62a_200015260668_100011162410 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.25 CC(C)(CCl)OCC=O 7a_100000764493_200015260668 [0,2,0,0,0,0|1,0,1]=4 998 B8R0.25 CC(C)(CO)NCC=O 2230a_100000210608_200015260668 [0,2,0,0,0,0|1,0,1]=4 999 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [0,2,0,0,0,0|1,0,1]=4 1001 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [0,2,0,0,0,0|1,0,1]=4 1005 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [0,2,0,0,0,0|1,0,1]=4 1007 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,2,0,0,0,0|0,0,2]=4 1010 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,2,0,0,0,0|0,0,2]=4 1011 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,2,0,0,0,0|0,0,2]=4 1012 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,2,0,0,0,0|0,0,2]=4 1013 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,2,0,0,0,0|0,0,2]=4 1014 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,2,0,0,0,0|0,0,2]=4 1015 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,2,0,0,0,0|0,0,2]=4 1016 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,2,0,0,0,0|0,0,2]=4 1017 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,2,0,0,0,0|0,0,2]=4 1018 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,2,0,0,0,0|0,0,2]=4 1019 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,2,0,0,0,0|0,0,2]=4 1020 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,2,0,0,0,0|0,0,2]=4 1021 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,2,0,0,0,0|0,0,2]=4 1022 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [0,2,0,0,0,0|1,0,1]=4 1023 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.21 C/C=C/COC(C)(C)C 34a_100015890283_100102629194 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.21 C/C=C/COC(C)(C)C 34a_100016270725_100000210625 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.21 C/C=C/COC(C)(C)C 7a_100015890283_100102629194 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.21 C/C=C/CSC(C)(C)C 62a_100000211941_100102629194 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.21 C/C=C/CSC(C)(C)C 62a_100102629194_100000211941 [0,2,0,0,0,0|1,0,1]=4 1038 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [0,2,0,0,0,0|0,0,2]=4 1039 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [0,2,0,0,0,0|0,0,2]=4 1040 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [0,2,0,0,0,0|0,0,2]=4 1044 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [0,2,0,0,0,0|0,0,2]=4 1045 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,2,0,0,0,0|0,0,2]=4 1046 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,2,0,0,0,0|0,0,2]=4 1047 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,2,0,0,0,0|0,0,2]=4 1048 B8R0.21 CC=CCNC(C)(C)C 2230a_100000715429_100000070051 [0,2,0,0,0,0|1,0,1]=4 1049 B8R0.21 CC=CCOC(C)(C)C 34a_100015890283_100000070051 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.21 CC=CCOC(C)(C)C 7a_100015890283_100000070051 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.21 CC=CCSC(C)(C)C 62a_100000070051_100000211941 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.21 CC=CCSC(C)(C)C 62a_100000211941_100000070051 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,2,0,0,0,0|1,0,1]=4 1055 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,2,0,0,0,0|1,0,1]=4 1056 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,2,0,0,0,0|1,0,1]=4 1057 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,2,0,0,0,0|1,0,1]=4 1059 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,2,0,0,0,0|1,0,1]=4 1060 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,2,0,0,0,0|0,0,0]=2 1062 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,2,0,0,0,0|1,0,0]=3 1063 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,2,0,0,0,0|0,0,2]=4 1064 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,2,0,0,0,0|0,0,2]=4 1065 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,2,0,0,0,0|0,0,2]=4 1066 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,2,0,0,0,0|0,0,2]=4 1067 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,2,0,0,0,0|0,0,2]=4 1068 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,2,0,0,0,0|0,0,2]=4 1069 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,2,0,0,0,0|0,0,2]=4 1070 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,2,0,0,0,0|0,0,2]=4 1071 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,2,0,0,0,0|0,0,2]=4 1072 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,2,0,0,0,0|0,0,2]=4 1073 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,2,0,0,0,0|0,0,2]=4 1074 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,2,0,0,0,0|0,0,2]=4 1075 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,2,0,0,0,0|0,0,2]=4 1076 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,2,0,0,0,0|0,0,2]=4 1077 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,2,0,0,0,0|0,0,2]=4 1078 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,2,0,0,0,0|0,0,2]=4 1079 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,2,0,0,0,0|0,0,2]=4 1080 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,2,0,0,0,0|0,0,2]=4 1081 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,2,0,0,0,0|1,0,0]=3 1082 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,2,0,0,0,0|1,0,1]=4 1084 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,2,0,0,0,0|1,0,1]=4 1085 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,2,0,0,0,0|1,0,1]=4 1086 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,2,0,0,0,0|1,0,1]=4 1087 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,2,0,0,0,0|0,0,0]=2 1088 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,2,0,0,0,0|0,0,2]=4 1089 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,2,0,0,0,0|0,0,2]=4 1090 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,2,0,0,0,0|0,0,2]=4 1091 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,2,0,0,0,0|0,0,2]=4 1092 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|0,0,2]=4 1093 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,2,0,0,0,0|0,0,2]=4 1094 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,2,0,0,0,0|0,0,2]=4 1095 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,2,0,0,0,0|0,0,2]=4 1096 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,2,0,0,0,0|0,0,2]=4 1097 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,2,0,0,0,0|0,0,2]=4 1098 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,2,0,0,0,0|0,0,2]=4 1099 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,2,0,0,0,0|0,0,2]=4 1100 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,2,0,0,0,0|0,0,2]=4 1101 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,2,0,0,0,0|0,0,2]=4 1102 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,2,0,0,0,0|0,0,2]=4 1103 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,2,0,0,0,0|1,0,1]=4 1104 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,2,0,0,0,0|0,0,2]=4 1105 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,2,0,0,0,0|0,0,2]=4 1106 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,2,0,0,0,0|0,0,2]=4 1107 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,2,0,0,0,0|0,0,2]=4 1108 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,2,0,0,0,0|0,0,2]=4 1109 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,2,0,0,0,0|1,0,0]=3 1110 B8R0.14 C=CCC(=O)C(C)(C)C 1458a_106744555173_100000210623 [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.14 C=CCC(=O)C(C)(C)F 1458a_100000765255_100000210623 [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.14 C=CCC(=O)C(C)(C)O 1458a_100000242741_100000210623 [0,2,0,0,0,0|1,0,1]=4 1113 B8R0.14 CN(CC=O)C(C)(C)C 269982a_100011215553_200015260668 [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.15 CCN(CC=O)C(C)C 2230a_100000223864_200015260668 [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.15 CCN(CC=O)C(C)C 269982a_100000223864_200015260668 [0,2,0,0,0,0|1,0,1]=4 1116 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,2,0,0,0,0|0,0,2]=4 1117 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,2,0,0,0,0|0,0,2]=4 1118 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,2,0,0,0,0|0,0,2]=4 1119 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,2,0,0,0,0|1,0,1]=4 1120 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,2,0,0,0,0|1,0,1]=4 1122 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,2,0,0,0,0|1,0,1]=4 1123 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,2,0,0,0,0|1,0,1]=4 1124 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,2,0,0,0,0|1,0,1]=4 1125 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,2,0,0,0,0|1,0,1]=4 1126 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,2,0,0,0,0|1,0,1]=4 1129 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,2,0,0,0,0|1,0,1]=4 1132 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,2,0,0,0,0|2,0,0]=4 1133 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,2,0,0,0,0|0,0,2]=4 1134 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,2,0,0,0,0|0,0,2]=4 1135 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,2,0,0,0,0|1,0,1]=4 1136 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,2,0,0,0,0|1,0,1]=4 1137 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,2,0,0,0,0|1,0,1]=4 1138 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,2,0,0,0,0|1,0,1]=4 1139 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,2,0,0,0,0|1,0,1]=4 1140 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,2,0,0,0,0|1,0,1]=4 1141 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,2,0,0,0,0|1,0,1]=4 1142 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,2,0,0,0,0|1,0,1]=4 1143 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,2,0,0,0,0|1,0,1]=4 1144 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,2,0,0,0,0|1,0,1]=4 1145 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,1,0,0|1,0,1]=4 1146 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,1,0,0|1,0,1]=4 1147 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|1,0,1]=4 1148 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|0,0,2]=4 1149 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|1,0,1]=4 1150 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|1,0,1]=4 1151 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|0,0,2]=4 1152 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|1,0,1]=4 1153 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,1,0,1,0,0|1,0,1]=4 1154 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,1,0,1,0,0|2,0,0]=4 1155 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,1,0,1,0,0|2,0,0]=4 1156 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 1157 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 1158 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|1,0,1]=4 1159 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,1,0,0|1,0,1]=4 1160 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|1,0,1]=4 1161 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|1,0,1]=4 1162 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|1,0,1]=4 1163 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,1,0,0|1,0,1]=4 1164 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|1,0,1]=4 1165 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|1,0,1]=4 1166 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,1,0,1,0,0|1,0,1]=4 1167 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,1,0,1,0,0|1,0,1]=4 1168 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,1,0,1,0,0|1,0,1]=4 1169 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,1,0,1,0,0|1,0,1]=4 1170 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,1,0,1,0,0|1,0,1]=4 1171 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [0,1,0,1,0,0|1,0,1]=4 1172 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,1,0,1,0,0|1,0,1]=4 1173 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [0,1,0,1,0,0|1,0,1]=4 1174 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,1,0,1,0,0|1,0,1]=4 1175 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [0,1,0,1,0,0|1,0,1]=4 1176 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,1,0,1,0,0|1,0,1]=4 1177 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,1,0,1,0,0|1,0,1]=4 1178 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [0,1,0,1,0,0|1,0,1]=4 1179 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [0,1,0,1,0,0|1,0,1]=4 1180 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,1,0,1,0,0|0,0,2]=4 1181 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,1,0,1,0,0|0,0,2]=4 1182 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,1,0,1,0,0|0,0,2]=4 1183 B8R1.7 CC(C)N1CC=CC1 269982a_100015195280_100000210206 [0,1,0,1,0,0|1,0,1]=4 1184 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,1,0,1,0,0|0,0,0]=2 1185 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,1,0,1,0,0|0,0,2]=4 1186 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,1,0,1,0,0|0,0,2]=4 1187 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,1,0,1,0,0|1,0,1]=4 1188 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,1,0,1,0,0|1,0,1]=4 1189 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,1,0,1,0,0|1,0,1]=4 1190 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,1,0,1,0,0|1,0,1]=4 1191 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,1,0,1,0,0|1,0,1]=4 1192 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,1,0,1,0,0|2,0,0]=4 1193 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,1,0,1,0,0|1,0,1]=4 1194 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,1,0,1,0,0|1,0,1]=4 1195 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|1,0,1]=4 1196 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,1,0,1,0,0|1,0,1]=4 1198 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,1,0,1,0,0|0,0,0]=2 1199 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,1,0,1,0,0|0,0,2]=4 1200 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [0,1,0,1,0,0|1,0,1]=4 1201 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [0,1,0,1,0,0|1,0,1]=4 1202 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [0,1,0,1,0,0|1,0,1]=4 1204 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [0,1,0,1,0,0|1,0,1]=4 1205 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,1,0,1,0,0|0,0,2]=4 1206 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,1,0,1,0,0|0,0,2]=4 1207 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,1,0,1,0,0|0,0,2]=4 1208 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,1,0,1,0,0|0,0,2]=4 1209 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,1,0,1,0,0|0,0,2]=4 1210 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|0,0,2]=4 1211 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,1,0,0|1,0,1]=4 1212 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,1,0,0|1,0,1]=4 1213 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,1,0,0|1,0,1]=4 1214 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|0,0,2]=4 1215 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,1,0,1,0,0|1,0,1]=4 1216 B8R1.37 CN(CC=O)C1CC1 2230a_100000226674_200015260668 [0,1,0,1,0,0|1,0,1]=4 1217 B8R1.37 CN(CC=O)C1CC1 269982a_100000226674_200015260668 [0,1,0,1,0,0|1,0,1]=4 1218 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,1,0,1,0,0|0,0,2]=4 1219 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,1,0,1,0,0|0,0,2]=4