0 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,0,0,0|0,0,4]=4 6 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,0,0,0|1,0,3]=4 7 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,0,0,0,0,0|1,0,3]=4 9 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,1,0,0,0,0|3,0,0]=4 15 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,1,0,0,0,0|3,0,0]=4 16 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,0,0,0|1,1,1]=4 25 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,0,0,0|1,1,1]=4 26 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,0,0,0|1,1,1]=4 27 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,0,0,0|1,1,1]=4 28 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,0,0,0|1,0,1]=3 29 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,0,0,0|1,1,1]=4 30 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,0,0,0|1,1,1]=4 31 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,0,0,0|1,1,1]=4 32 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,0,0,0|1,0,2]=4 33 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,0,0,0|1,0,2]=4 34 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,0,0,0|1,0,2]=4 35 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,0,0,0|0,1,2]=4 36 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,0,0,0|0,0,2]=3 37 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,0,0,0|0,1,2]=4 38 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,0,0,0|1,1,1]=4 39 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,0,0,0|1,1,1]=4 40 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,0,0,0|0,2,1]=4 41 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,0,0,0|2,0,1]=4 44 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,0,0,0|1,1,1]=4 46 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,0,0,0|1,1,1]=4 47 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,0,0,0|1,1,1]=4 48 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,0,0,0|1,0,2]=4 49 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,0,0,0|1,0,2]=4 50 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,0,0,0|0,0,2]=3 51 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,0,0,0|0,1,2]=4 52 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,0,0,0|1,1,1]=4 53 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,0,0,0|1,1,1]=4 54 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,0,0,0|0,2,1]=4 55 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,0,0,0|1,0,2]=4 56 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,0,0,0|1,0,2]=4 68 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,0,0,0|1,0,2]=4 69 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,1,0,0,0,0|2,0,1]=4 71 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,1,0,0,0|1,0,1]=3 90 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,1,0,0,0|1,0,1]=3 91 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,1,0,0,0|1,0,1]=3 92 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,1,0,0,0|2,0,0]=3 93 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,1,0,0,0|2,0,0]=3 94 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,1,0,0,0|2,0,0]=3 95 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,1,0,0,0|1,1,0]=3 96 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,1,0,0,0|1,1,0]=3 97 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,1,0,0,0|1,1,0]=3 98 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,1,0,0,0|1,0,0]=2 99 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,1,0,0,0|1,0,0]=2 100 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,1,0,0,0|1,0,0]=2 101 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,1,0,0,0|1,0,0]=2 102 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,1,0,0,0|2,0,1]=4 103 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,1,0,0,0|2,0,1]=4 104 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,1,0,0,0|2,0,1]=4 105 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,0,1,0,0,0|1,1,1]=4 106 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,0,1,0,0,0|1,1,1]=4 107 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,0,1,0,0,0|1,1,1]=4 108 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,0,1,0,0,0|1,0,1]=3 109 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,0,1,0,0,0|1,0,1]=3 110 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,0,1,0,0,0|1,0,1]=3 111 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,0,1,0,0,0|1,0,1]=3 112 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,1,0,0,0|1,0,1]=3 113 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,1,0,0,0|1,0,1]=3 114 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,1,0,0,0|1,0,1]=3 115 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,1,0,0,0|1,0,1]=3 116 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,1,0,0,0|1,0,1]=3 117 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,1,0,0,0|1,0,2]=4 118 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,1,0,0,0|1,0,2]=4 119 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,1,0,0,0|1,0,2]=4 120 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,1,0,0,0|1,0,1]=3 121 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,1,0,0,0|1,0,1]=3 122 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,1,0,0,0|1,0,0]=2 123 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,1,0,0,0|0,1,0]=2 124 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,1,0,0,0|0,1,0]=2 125 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,1,0,0,0|0,1,0]=2 126 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,1,0,0,0|1,1,1]=4 127 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,1,0,0,0|2,0,1]=4 128 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,1,0,0,0|2,0,1]=4 129 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,1,0,0,0|1,1,1]=4 130 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,1,0,0,0|1,0,1]=3 131 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,1,0,0,0|1,0,1]=3 132 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,0,1,0,0,0|1,1,1]=4 133 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,1,0,0,0|1,0,2]=4 134 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,1,0,0,0|1,0,2]=4 135 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,1,0,0,0|0,0,2]=3 136 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,1,0,0,0|0,0,2]=3 137 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,1,0,0,0|1,0,1]=3 138 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,1,0,0,0|1,0,1]=3 139 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,1,0,0,0|1,0,0]=2 140 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,1,0,0,0|1,0,0]=2 141 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,1,0,0,0|1,0,0]=2 142 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,1,0,0,0|3,0,0]=4 143 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,1,0,0,0|3,0,0]=4 144 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,1,0,0,0|3,0,0]=4 145 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,1,0,0,0|3,0,0]=4 146 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,1,0,0,0|3,0,0]=4 147 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,1,0,0,0|3,0,0]=4 148 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,1,0,0,0|2,0,0]=3 149 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,1,0,0,0|2,0,0]=3 150 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,1,0,0,0|2,0,0]=3 151 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,1,0,0,0|3,0,0]=4 152 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,1,0,0,0|3,0,0]=4 153 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,1,0,0,0|2,1,0]=4 154 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,1,0,0,0|2,1,0]=4 155 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,1,0,0,0|2,1,0]=4 156 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,1,0,0,0|2,1,0]=4 157 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,1,0,0,0|2,1,0]=4 158 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,1,0,0,0|2,1,0]=4 159 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,1,0,0,0|2,0,0]=3 160 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,1,0,0,0|2,0,0]=3 161 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,1,0,0,0|2,0,0]=3 162 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,1,0,0,0|2,0,0]=3 163 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,1,0,0,0|2,0,0]=3 164 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,1,0,0,0|2,0,0]=3 165 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,1,0,0,0|2,0,1]=4 166 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,1,0,0,0|2,0,1]=4 167 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,1,0,0,0|2,0,1]=4 168 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,1,0,0,0|2,0,1]=4 169 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,1,0,0,0|2,0,1]=4 170 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,1,0,0,0|2,0,1]=4 171 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,1,0,0,0|1,0,2]=4 172 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,1,0,0,0|1,0,2]=4 173 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,1,0,0,0|1,0,2]=4 174 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,1,0,0,0|1,0,2]=4 175 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,1,0,0,0|1,0,2]=4 176 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,1,0,0,0|1,0,2]=4 177 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,1,0,0,0|1,0,2]=4 178 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,1,0,0,0|1,0,2]=4 179 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,0,1,0,0,0|3,0,0]=4 180 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,1,0,0,0|2,0,0]=3 181 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,1,0,0,0|0,1,0]=2 182 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,1,0,0,0|0,1,0]=2 183 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,1,0,0,0|1,1,0]=3 184 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,1,0,0,0|0,1,0]=2 185 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,1,0,0,0|1,1,0]=3 186 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,1,0,0,0|1,1,1]=4 187 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,1,0,0,0|1,1,1]=4 188 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,1,0,0,0|1,1,1]=4 189 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,0,1,0,0,0|1,1,1]=4 190 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,1,0,0,0|0,1,2]=4 191 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,1,0,0,0|2,1,0]=4 192 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,1,0,0,0|2,1,0]=4 193 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,0,1,0,0,0|1,1,1]=4 194 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,1,0,0,0|1,1,1]=4 195 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,1,0,0,0|0,1,2]=4 196 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,0,1,0,0,0|2,1,0]=4 197 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,1,0,0,0|0,0,0]=1 198 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,1,0,0,0|1,0,0]=2 199 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,1,0,0,0|1,0,0]=2 200 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,1,0,0,0|0,0,0]=1 201 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,1,0,0,0|1,0,0]=2 202 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,1,0,0,0|1,0,0]=2 203 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,1,0,0,0|1,0,1]=3 204 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,1,0,0,0|1,0,1]=3 205 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,1,0,0,0|0,0,2]=3 206 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,1,0,0,0|0,0,2]=3 207 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,0,1,0,0,0|2,0,1]=4 208 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,0,1,0,0,0|2,0,1]=4 209 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,1,0,0,0|2,0,0]=3 210 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,1,0,0,0|2,0,0]=3 211 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,1,0,0,0|0,0,2]=3 212 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,1,0,0,0|0,0,2]=3 213 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,0,1,0,0,0|2,0,0]=3 214 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,0,1,0,0,0|1,1,1]=4 215 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,1,0,0,0|1,1,1]=4 216 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,1,0,0,0|0,0,2]=3 217 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,1,0,0,0|0,0,2]=3 218 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,1,0,0,0|1,0,2]=4 219 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,1,0,0,0|1,0,2]=4 220 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,1,0,0,0|1,0,2]=4 221 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,1,0,0,0|1,0,1]=3 222 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,1,0,0,0|0,1,0]=2 223 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,1,0,0,0|2,0,0]=3 224 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,1,0,0,0|2,0,0]=3 225 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,1,0,0,0|1,0,0]=2 226 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,1,0,0,0|1,0,0]=2 227 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,1,0,0,0|1,0,0]=2 228 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,1,0,0,0|1,0,0]=2 229 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,0,1,0,0,0|2,0,1]=4 230 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,0,1,0,0,0|2,0,1]=4 231 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,0,1,0,0,0|2,0,0]=3 232 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,0,1,0,0,0|2,0,1]=4 233 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,0,1,0,0,0|2,0,1]=4 234 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,0,1,0,0,0|2,0,1]=4 235 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,0,1,0,0,0|2,0,1]=4 236 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,0,1,0,0,0|2,0,1]=4 237 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,0,1,0,0,0|1,1,1]=4 238 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,0,1,0,0,0|1,1,1]=4 239 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,0,1,0,0,0|1,1,1]=4 240 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,0,1,0,0,0|1,0,1]=3 241 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,0,1,0,0,0|1,0,1]=3 242 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,0,1,0,0,0|1,0,1]=3 243 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,0,1,0,0,0|1,0,1]=3 244 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,0,1,0,0,0|2,0,1]=4 245 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,0,1,0,0,0|2,0,1]=4 246 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,0,1,0,0,0|1,1,1]=4 247 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,0,1,0,0,0|1,1,1]=4 248 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,0,1,0,0,0|1,0,1]=3 249 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [0,0,1,0,0,0|2,0,1]=4 250 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,1,0,0,0|2,0,1]=4 251 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,1,0,0,0|2,0,1]=4 252 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,1,0,0,0|1,1,1]=4 253 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,1,0,0,0|1,1,1]=4 254 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,1,0,0,0|1,1,1]=4 255 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,1,0,0,0|1,0,1]=3 256 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,1,0,0,0|1,0,1]=3 257 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,1,0,0,0|1,0,1]=3 258 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,1,0,0,0|1,0,1]=3 259 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,0,1,0,0,0|2,0,0]=3 260 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,0,1,0,0,0|2,0,0]=3 261 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,0,1,0,0,0|2,0,0]=3 262 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,0,1,0,0,0|2,0,0]=3 263 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,0,1,0,0,0|2,0,0]=3 264 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,0,1,0,0,0|1,1,0]=3 265 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,0,1,0,0,0|1,1,0]=3 266 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,0,1,0,0,0|1,1,0]=3 267 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,0,1,0,0,0|1,0,0]=2 268 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,0,1,0,0,0|1,0,0]=2 269 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,0,1,0,0,0|1,0,0]=2 270 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,0,1,0,0,0|1,0,0]=2 271 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,0,1,0,0,0|2,0,0]=3 272 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,0,1,0,0,0|2,0,0]=3 273 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,0,1,0,0,0|1,1,0]=3 274 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,0,1,0,0,0|1,1,0]=3 275 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,0,1,0,0,0|2,1,0]=4 276 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,1,0,0,0|1,0,0]=2 277 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,1,0,0,0|1,0,0]=2 278 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,0,1,0,0,0|2,0,0]=3 279 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,0,1,0,0,0|2,0,0]=3 280 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,0,1,0,0,0|1,0,2]=4 281 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,0,1,0,0,0|1,0,2]=4 282 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,0,1,0,0,0|1,0,2]=4 283 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,0,1,0,0,0|1,0,2]=4 284 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,1,0,0,0|2,0,1]=4 285 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,1,0,0,0|2,0,1]=4 286 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,1,0,0,0|2,0,1]=4 287 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,1,0,0,0|1,1,1]=4 288 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,1,0,0,0|1,0,1]=3 289 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,1,0,0,0|1,0,1]=3 290 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,1,0,0,0|1,0,1]=3 291 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,1,0,0,0|1,0,1]=3 292 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,1,0,0,0|3,0,0]=4 293 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,0,1,0,0,0|2,0,1]=4 294 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,0,1,0,0,0|2,0,1]=4 295 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,0,1,0,0,0|2,0,1]=4 296 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,0,1,0,0,0|2,0,1]=4 297 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,0,1,0,0,0|2,0,1]=4 298 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,0,1,0,0,0|2,0,1]=4 299 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,0,1,0,0,0|2,0,1]=4 300 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,0,1,0,0,0|1,1,1]=4 301 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,0,1,0,0,0|1,1,1]=4 302 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,0,1,0,0,0|1,1,1]=4 303 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,0,1,0,0,0|1,1,1]=4 304 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,0,1,0,0,0|1,1,1]=4 305 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,0,1,0,0,0|1,0,1]=3 306 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,0,1,0,0,0|1,0,1]=3 307 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,0,1,0,0,0|1,0,1]=3 308 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,0,1,0,0,0|1,0,1]=3 309 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,0,1,0,0,0|2,0,1]=4 310 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,0,1,0,0,0|1,1,1]=4 311 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,0,1,0,0,0|1,1,1]=4 312 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,0,1,0,0,0|1,0,1]=3 313 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,0,1,0,0,0|1,0,1]=3 314 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,0,1,0,0,0|2,0,1]=4 315 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,0,1,0,0,0|2,0,1]=4 316 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,0,1,0,0,0|2,0,1]=4 317 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,0,1,0,0,0|1,0,0]=2 318 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,0,1,0,0,0|2,0,1]=4 319 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,0,1,0,0,0|2,0,1]=4 320 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,0,1,0,0,0|1,0,2]=4 321 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,0,1,0,0,0|1,0,2]=4 322 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,0,1,0,0,0|1,0,2]=4 323 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,0,1,0,0,0|3,0,0]=4 324 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,0,1,0,0,0|2,0,1]=4 325 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,0,1,0,0,0|0,1,0]=2 326 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,0,1,0,0,0|1,1,1]=4 327 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,0,1,0,0,0|1,1,1]=4 328 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,0,1,0,0,0|1,1,1]=4 329 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,0,1,0,0,0|0,1,2]=4 330 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,0,1,0,0,0|2,0,1]=4 331 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,0,1,0,0,0|2,0,1]=4 332 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,0,1,0,0,0|2,0,1]=4 333 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,0,1,0,0,0|2,0,1]=4 334 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,0,1,0,0,0|2,0,1]=4 335 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,0,1,0,0,0|1,0,1]=3 336 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,0,1,0,0,0|1,0,1]=3 337 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,0,1,0,0,0|0,0,0]=1 338 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,0,1,0,0,0|0,0,0]=1 339 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,0,1,0,0,0|1,0,1]=3 340 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,0,1,0,0,0|1,0,1]=3 341 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,0,1,0,0,0|0,0,2]=3 342 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,0,1,0,0,0|0,0,2]=3 343 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,0,1,0,0,0|2,0,0]=3 344 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,0,1,0,0,0|2,0,0]=3 345 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,0,1,0,0,0|2,0,0]=3 346 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,0,1,0,0,0|2,0,0]=3 347 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,0,1,0,0,0|2,0,1]=4 348 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,0,1,0,0,0|2,0,1]=4 349 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,0,1,0,0,0|2,0,1]=4 350 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,0,1,0,0,0|2,0,1]=4 351 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,0,1,0,0,0|2,0,1]=4 352 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,0,1,0,0,0|2,0,1]=4 353 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,0,1,0,0,0|2,0,1]=4 354 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,0,1,0,0,0|1,0,2]=4 355 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,0,1,0,0,0|1,0,2]=4 356 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,0,1,0,0,0|1,0,2]=4 357 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,0,1,0,0,0|2,1,0]=4 358 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,0,1,0,0,0|2,1,0]=4 359 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,0,1,0,0,0|2,1,0]=4 360 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,0,1,0,0,0|2,1,0]=4 361 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,0,1,0,0,0|2,0,0]=3 362 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,0,1,0,0,0|2,0,0]=3 363 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,0,1,0,0,0|2,0,0]=3 364 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,0,1,0,0,0|2,0,0]=3 365 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,0,1,0,0,0|1,1,1]=4 366 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,0,1,0,0,0|1,1,1]=4 367 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,0,1,0,0,0|1,1,1]=4 368 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,0,1,0,0,0|1,1,1]=4 369 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,0,1,0,0,0|1,1,1]=4 370 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,0,1,0,0,0|0,1,2]=4 371 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,0,1,0,0,0|2,1,0]=4 372 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,0,1,0,0,0|2,1,0]=4 373 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,0,1,0,0,0|2,1,0]=4 374 B5R0.2 COCCON 34a_100000700252_200000210301 [0,0,1,0,0,0|2,1,0]=4 375 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,0,1,0,0,0|2,1,0]=4 376 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,0,1,0,0,0|2,0,0]=3 377 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,0,1,0,0,0|2,0,0]=3 378 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,0,1,0,0,0|2,0,0]=3 379 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,0,1,0,0,0|2,0,0]=3 380 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,0,1,0,0,0|2,0,0]=3 381 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,0,1,0,0,0|2,0,0]=3 382 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,0,1,0,0,0|2,0,0]=3 383 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,0,1,0,0,0|3,0,0]=4 384 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,0,1,0,0,0|3,0,0]=4 385 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,0,1,0,0,0|1,0,1]=3 386 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,0,1,0,0,0|1,0,1]=3 387 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,0,1,0,0,0|1,0,1]=3 388 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,0,1,0,0,0|1,0,1]=3 389 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,0,1,0,0,0|0,0,2]=3 390 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,0,1,0,0,0|0,0,2]=3 391 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,0,1,0,0,0|2,0,0]=3 392 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,0,1,0,0,0|2,0,0]=3 393 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,0,1,0,0,0|2,0,0]=3 394 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,0,1,0,0,0|2,0,0]=3 395 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,0,1,0,0,0|2,0,0]=3 396 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,0,1,0,0,0|2,0,0]=3 397 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,0,1,0,0,0|2,0,0]=3 398 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,0,1,0,0,0|2,0,1]=4 399 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,0,1,0,0,0|2,0,1]=4 400 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,0,1,0,0,0|2,0,1]=4 401 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,0,1,0,0,0|2,0,1]=4 402 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,0,1,0,0,0|2,0,1]=4 403 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,0,1,0,0,0|2,0,1]=4 404 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [0,0,1,0,0,0|2,0,1]=4 405 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [0,0,1,0,0,0|2,0,1]=4 406 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,0,1,0,0,0|1,0,0]=2 407 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,0,1,0,0,0|1,0,0]=2 408 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,0,1,0,0,0|1,0,2]=4 409 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,0,1,0,0,0|1,0,2]=4 410 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,0,1,0,0,0|2,0,1]=4 411 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,0,1,0,0,0|2,0,1]=4 412 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,0,1,0,0,0|1,1,1]=4 413 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,0,1,0,0,0|1,1,1]=4 414 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,0,1,0,0,0|1,1,1]=4 415 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,0,1,0,0,0|1,1,1]=4 416 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,0,1,0,0,0|2,1,0]=4 417 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,0,1,0,0,0|1,0,1]=3 418 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,0,1,0,0,0|1,0,1]=3 419 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,0,1,0,0,0|1,0,1]=3 420 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,0,1,0,0,0|1,0,1]=3 421 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,0,1,0,0,0|0,0,2]=3 422 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,0,1,0,0,0|0,0,2]=3 423 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,0,1,0,0,0|2,0,1]=4 424 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,0,1,0,0,0|2,0,1]=4 425 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,0,1,0,0,0|1,0,1]=3 426 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,0,1,0,0,0|1,0,2]=4 427 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,0,1,0,0,0|1,0,1]=3 428 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,0,1,0,0,0|1,0,2]=4 429 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,0,1,0,0,0|2,0,1]=4 430 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,0,1,0,0,0|2,0,1]=4 431 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,1,0,0,0|1,0,0]=2 432 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,0,1,0,0,0|1,0,0]=2 433 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,0,1,0,0,0|0,1,0]=2 434 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,0,1,0,0,0|2,0,0]=3 435 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,0,1,0,0,0|2,0,0]=3 436 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,0,1,0,0,0|2,0,0]=3 437 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,0,1,0,0,0|2,0,0]=3 438 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,0,1,0,0,0|3,0,0]=4 439 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,0,1,0,0,0|3,0,0]=4 440 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,0,1,0,0,0|3,0,0]=4 441 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,0,1,0,0,0|3,0,0]=4 442 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,0,1,0,0,0|3,0,0]=4 443 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,0,1,0,0,0|3,0,0]=4 444 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,0,1,0,0,0|3,0,0]=4 445 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,0,1,0,0,0|3,0,0]=4 446 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,0,1,0,0,0|3,0,0]=4 447 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,0,1,0,0,0|1,1,0]=3 448 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,0,1,0,0,0|1,1,0]=3 449 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,0,1,0,0,0|3,0,0]=4 450 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,0,1,0,0,0|3,0,0]=4 451 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,0,1,0,0,0|3,0,0]=4 452 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,0,1,0,0,0|1,1,0]=3 453 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,0,1,0|2,0,0]=3 454 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,0,1,0|2,0,0]=3 455 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,0,0,0,0,1|3,0,0]=4 456 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,0,0,0,0,1|3,0,0]=4 457 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,0,0,0,0,1|3,0,0]=4 458 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,0,0,1|2,1,0]=4 459 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,0,0,1|2,1,0]=4 460 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,0,0,1|2,1,0]=4 461 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,0,0,0,0,1|2,1,0]=4 462 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,0,0,0,0,1|2,1,0]=4 463 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,0,0,0,0,1|2,1,0]=4 464 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,0,0,0,0,1|2,0,0]=3 465 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,0,0,0,0,1|2,0,0]=3 466 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,0,0,0,0,1|3,0,0]=4 467 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,0,0,0,0,1|3,0,0]=4 468 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,0,0,0,0,1|3,0,0]=4 469 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,0,0,1|2,1,0]=4 470 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,0,0,1|2,1,0]=4 471 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,0,0,1|2,1,0]=4 472 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,0,0,0,0,1|2,1,0]=4 473 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,0,0,0,0,1|2,1,0]=4 474 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,0,0,0,0,1|2,1,0]=4 475 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,0,0,0,0,1|2,0,0]=3 476 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,0,0,0,0,1|2,0,0]=3 477 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,1,0,0,0|0,0,2]=4 478 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,1,0,0,0|0,0,2]=4 479 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,1,0,0,0|0,0,2]=4 480 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,1,0,0,0|0,0,2]=4 481 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,1,0,0,0|1,0,0]=3 482 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,1,0,0,0|0,1,0]=3 483 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,1,0,0,0|1,0,1]=4 484 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,1,0,0,0|1,0,1]=4 485 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,1,0,0,0|0,0,0]=2 486 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,1,0,0,0|0,0,0]=2 487 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,1,0,0,0|0,0,0]=2 488 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,1,0,0,0|2,0,0]=4 489 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,1,0,0,0|2,0,0]=4 490 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,1,0,0,0|2,0,0]=4 491 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,1,0,0,0|2,0,0]=4 492 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,1,0,0,0|2,0,0]=4 493 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,1,0,0,0|2,0,0]=4 494 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,1,0,0,0|1,0,0]=3 495 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,1,0,0,0|1,0,0]=3 496 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,1,0,0,0|1,0,0]=3 497 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,1,0,0,0|1,0,0]=3 498 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,1,0,0,0|1,0,1]=4 499 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,1,0,0,0|1,0,1]=4 500 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,1,0,0,0|0,1,0]=3 501 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,1,0,0,0|0,0,2]=4 502 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,1,0,0,0|0,0,2]=4 503 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,1,0,0,0|1,0,1]=4 504 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,1,0,0,0|1,0,1]=4 505 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,1,0,0,0|1,0,1]=4 506 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,1,0,0,0|1,0,1]=4 507 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,1,0,0,0|1,0,1]=4 508 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,1,0,0,0|0,1,1]=4 509 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,1,0,0,0|0,1,1]=4 510 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,1,0,0,0|0,1,1]=4 511 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,1,0,0,0|0,0,1]=3 512 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,1,0,0,0|0,0,1]=3 513 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,1,0,0,0|0,0,1]=3 514 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,1,0,0,0|0,0,1]=3 515 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,1,0,0,0|1,0,1]=4 516 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,1,0,0,0|1,0,1]=4 517 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,1,0,0,0|1,0,1]=4 518 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,1,0,0,0|0,1,1]=4 519 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,1,0,0,0|0,1,1]=4 520 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,1,0,0,0|0,1,1]=4 521 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,1,0,0,0|0,0,1]=3 522 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,1,0,0,0|0,0,1]=3 523 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,1,0,0,0|0,0,1]=3 524 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,1,0,0,0|0,0,1]=3 525 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,1,0,0,0|1,0,1]=4 526 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,1,0,0,0|0,1,1]=4 527 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,1,0,0,0|1,1,0]=4 528 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,1,0,0,0|0,0,1]=3 529 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,1,0,0,0|1,0,0]=3 530 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,1,0,0,0|1,0,0]=3 531 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,1,0,0,0|1,0,0]=3 532 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,1,0,0,0|1,0,0]=3 533 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,1,0,0,0|1,0,0]=3 534 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,1,0,0,0|2,0,0]=4 535 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,1,0,0,0|2,0,0]=4 536 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,1,0,0,0|2,0,0]=4 537 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,1,0,0,0|2,0,0]=4 538 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,1,0,0,0|1,0,1]=4 539 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,1,0,0,0|1,0,1]=4 540 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,1,0,0,0|1,0,1]=4 541 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,1,0,0,0|1,0,1]=4 542 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,1,0,0,0|1,0,1]=4 543 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,1,0,0,0|1,1,0]=4 544 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,1,0,0,0|1,0,0]=3 545 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,1,0,0,0|1,0,0]=3 546 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,1,0,0,0|0,1,0]=3 547 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,1,0,0,0|1,1,0]=4 548 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,1,0,0,0|1,1,0]=4 549 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,1,0,0,0|1,1,0]=4 550 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,1,0,0,0|0,1,1]=4 551 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,1,0,0,0|1,0,0]=3 552 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,1,0,0,0|1,0,0]=3 553 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,1,0,0,0|1,0,0]=3 554 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,1,0,0,0|1,0,0]=3 555 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,1,0,0,0|1,0,0]=3 556 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,1,0,0,0|1,0,1]=4 557 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,1,0,0,0|1,0,1]=4 558 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,1,0,0,0|0,0,0]=2 559 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,1,0,0,0|0,0,0]=2 560 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,1,0,0,0|1,0,0]=3 561 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,1,0,0,0|1,0,0]=3 562 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,1,0,0,0|0,0,1]=3 563 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,1,0,0,0|0,0,1]=3 564 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,1,0,0,0|1,0,0]=3 565 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,1,0,0,0|1,0,0]=3 566 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,1,0,0,0|1,0,0]=3 567 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,1,0,0,0|1,0,0]=3 568 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,0,1,0,0,0|2,0,0]=4 569 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,1,0,0,0|2,0,0]=4 570 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,1,0,0,0|1,0,1]=4 571 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,1,0,0,0|1,0,1]=4 572 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,1,0,0,0|1,1,0]=4 573 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,1,0,0,0|1,1,0]=4 574 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,1,0,0,0|1,0,1]=4 575 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,1,0,0,0|1,0,1]=4 576 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,1,0,0,0|0,0,0]=2 577 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,1,0,0,0|0,0,0]=2 578 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,1,0,0,0|1,0,0]=3 579 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,1,0,0,0|1,0,0]=3 580 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,1,0,0,0|0,0,1]=3 581 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,1,0,0,0|0,0,1]=3 582 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,1,0,0,0|1,0,1]=4 583 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,1,1,0,0,0|1,0,1]=4 584 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,1,1,0,0,0|0,1,1]=4 585 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,1,0,0,0|1,0,1]=4 586 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,1,0,0,0|1,0,1]=4 587 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,1,1,0,0,0|1,0,1]=4 588 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,1,0,0,0|1,0,1]=4 589 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,1,1,0,0,0|1,0,1]=4 590 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,1,1,0,0,0|1,0,1]=4 591 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,1,1,0,0,0|1,0,1]=4 592 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,1,1,0,0,0|1,0,1]=4 593 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,1,0,0,0|1,0,1]=4 594 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,1,0,0,0|1,0,1]=4 595 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,1,0,0,0|0,1,1]=4 596 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,1,0,0,0|1,0,1]=4 597 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,1,0,0,0|1,0,1]=4 598 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,1,0,0,0|1,0,1]=4 599 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,1,0,0,0|1,0,1]=4 600 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,1,0,0,0|1,0,1]=4 601 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,1,0,0,0|1,0,1]=4 602 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,1,0,0,0|1,0,1]=4 603 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,1,0,0,0|1,0,1]=4 604 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,1,0,0,0|1,0,1]=4 605 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,1,0,0,0|1,0,1]=4 606 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,1,0,0,0|1,0,1]=4 607 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,1,0,0,0|1,0,1]=4 608 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,1,0,0,0|1,0,1]=4 609 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,1,0,0,0|1,0,1]=4 610 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,1,0,0,0|1,0,1]=4 611 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,1,0,0,0|1,0,1]=4 612 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,1,0,0,0|1,0,1]=4 613 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,1,0,0,0|1,0,0]=3 614 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,1,0,0,0|0,1,0]=3 615 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,1,0,0,0|0,1,0]=3 616 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,1,0,0,0|1,0,0]=3 617 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,1,0,0,0|0,1,0]=3 618 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,1,0,0,0|0,1,0]=3 619 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,1,0,0,0|0,1,0]=3 620 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,1,0,0,0|0,0,0]=2 621 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,1,0,0,0|0,0,0]=2 622 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,1,0,0,0|0,0,0]=2 623 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,1,0,0,0|0,0,0]=2 624 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,1,0,0,0|0,0,0]=2 625 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,1,0,0,0|2,0,0]=4 626 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,1,0,0,0|1,0,1]=4 627 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,1,0,0,0|1,0,1]=4 628 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,1,0,0,0|1,0,1]=4 629 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,1,0,0,0|1,0,1]=4 630 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,1,0,0,0|0,0,2]=4 631 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,1,0,0,0|0,0,2]=4 632 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,1,0,0,0|0,0,2]=4 633 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,1,0,0,0|0,0,2]=4 634 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,1,0,0,0|1,0,0]=3 635 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,1,0,0,0|1,0,0]=3 636 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,1,0,0,0|1,0,0]=3 637 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,1,0,0,0|1,0,0]=3 638 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,1,0,0,0|1,0,0]=3 639 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,1,0,0,0|1,0,0]=3 640 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,1,0,0,0|1,0,0]=3 641 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,1,0,0,0|1,0,0]=3 642 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,1,0,0,0|2,0,0]=4 643 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,1,0,0,0|2,0,0]=4 644 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,1,0,0,0|2,0,0]=4 645 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,1,0,0,0|2,0,0]=4 646 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,1,0,0,0|2,0,0]=4 647 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,1,0,0,0|2,0,0]=4 648 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,1,0,0,0|2,0,0]=4 649 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,1,0,0,0|2,0,0]=4 650 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,1,0,0,0|2,0,0]=4 651 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,1,0,0,0|2,0,0]=4 652 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,1,0,0,0|2,0,0]=4 653 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,1,0,0,0|2,0,0]=4 654 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,1,0,0,0|2,0,0]=4 655 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,1,0,0,0|1,0,1]=4 656 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,1,0,0,0|1,0,1]=4 657 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,1,0,0,0|1,0,1]=4 658 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,1,0,0,0|1,0,1]=4 659 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,1,1,0,0,0|1,0,1]=4 660 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,1,1,0,0,0|1,0,1]=4 661 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,1,0,0,0|0,1,0]=3 662 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,1,0,0,0|1,0,0]=3 663 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,1,0,0,0|0,1,0]=3 664 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,1,0,0,0|0,1,0]=3 665 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,1,0,0,0|0,1,0]=3 666 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,1,0,0,0|0,1,0]=3 667 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,1,0,0,0|0,1,0]=3 668 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,1,0,0,0|0,1,0]=3 669 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,1,0,0,0|0,1,0]=3 670 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,1,0,0,0|0,0,0]=2 671 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,1,0,0,0|0,0,0]=2 672 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,1,0,0,0|0,0,0]=2 673 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,1,0,0,0|0,0,0]=2 674 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,1,0,0,0|0,0,0]=2 675 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,1,0,0,0|0,0,0]=2 676 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,1,0,0,0|0,0,0]=2 677 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,1,0,0,0|0,0,0]=2 678 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,1,0,0,0|1,0,1]=4 679 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,1,0,0,0|1,0,0]=3 680 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,1,0,0,0|1,0,0]=3 681 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,1,0,0,0|1,0,0]=3 682 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,1,0,0,0|1,0,0]=3 683 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,1,0,0,0|1,0,0]=3 684 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,1,0,0,0|1,0,0]=3 685 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,1,0,0,0|1,0,0]=3 686 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,1,0,0,0|2,0,0]=4 687 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,1,0,0,0|2,0,0]=4 688 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,1,0,0,0|2,0,0]=4 689 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,1,0,0,0|2,0,0]=4 690 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,1,0,0,0|0,0,0]=2 691 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,1,0,0,0|0,0,0]=2 692 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,1,0,0,0|0,0,0]=2 693 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,1,0,0,0|0,0,0]=2 694 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,1,0,0,0|0,1,0]=3 695 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,1,0,0,0|0,1,0]=3 696 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,1,0,0,0|0,0,0]=2 697 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,1,0,0,0|0,0,2]=4 698 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,1,0,0,0|0,0,2]=4 699 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,1,0,0,0|0,0,2]=4 700 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,1,0,0,0|0,0,2]=4 701 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,1,0,0,0|0,0,2]=4 702 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,1,0,0,0|0,0,2]=4 703 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,1,0,0,0|0,0,2]=4 704 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,1,0,0,0|0,0,2]=4 705 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,1,0,0,0|0,0,2]=4 706 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,1,0,0,0|0,0,2]=4 707 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,1,1,0,0,0|1,0,1]=4 708 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,1,0,0,0|1,0,1]=4 709 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,1,0,0,0|0,1,0]=3 710 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,1,0,0,0|1,0,0]=3 711 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,1,0,0,0|0,1,0]=3 712 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,1,0,0,0|0,0,2]=4 713 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,1,0,0,0|0,0,2]=4 714 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,1,0,0,0|0,0,2]=4 715 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,1,0,0,0|0,0,2]=4 716 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,1,0,0,0|0,0,2]=4 717 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,1,0,0,0|0,0,2]=4 718 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,1,0,0,0|1,0,0]=3 719 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,1,0,0,0|2,0,0]=4 720 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,1,0,0,0|2,0,0]=4 721 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,1,0,0,0|2,0,0]=4 722 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,1,0,0,0|2,0,0]=4 723 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,1,0,0,0|2,0,0]=4 724 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,1,0,0,0|2,0,0]=4 725 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,1,0,0,0|1,0,1]=4 726 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,1,0,0,0|1,0,1]=4 727 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,1,0,0,0|1,0,1]=4 728 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,1,0,0,0|1,0,1]=4 729 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,1,0,0,0|1,0,1]=4 730 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,1,0,0,0|1,0,1]=4 731 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,1,0,0,0|1,0,1]=4 732 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,1,0,0,0|0,1,1]=4 733 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,1,0,0,0|0,1,1]=4 734 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,1,0,0,0|0,1,1]=4 735 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,1,0,0,0|1,0,0]=3 736 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,1,0,0,0|1,0,0]=3 737 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,1,0,0,0|0,1,0]=3 738 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,1,0,0,0|1,0,0]=3 739 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,1,0,0,0|1,0,0]=3 740 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,1,0,0,0|0,1,0]=3 741 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,1,0,0,0|1,1,0]=4 742 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,1,0,0,0|0,0,1]=3 743 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,1,0,0,0|2,0,0]=4 744 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,1,0,0,0|2,0,0]=4 745 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,1,0,0,0|2,0,0]=4 746 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,1,0,0,0|2,0,0]=4 747 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,1,0,0,0|1,0,0]=3 748 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,1,0,0,0|2,0,0]=4 749 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,1,0,0,0|2,0,0]=4 750 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,1,0,0,0|2,0,0]=4 751 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,1,0,0,0|2,0,0]=4 752 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,1,0,0,0|1,0,0]=3 753 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,1,0,0,0|2,0,0]=4 754 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,1,0,0,0|2,0,0]=4 755 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,1,0,0,0|2,0,0]=4 756 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,1,0,0,0|0,1,0]=3 757 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,1,0,0,0|0,0,1]=3 758 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,1,0,0,0|0,1,1]=4 759 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,1,0,0,0|1,0,1]=4 760 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,1,0,0,0|1,0,1]=4 761 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,1,0,0,0|1,0,1]=4 762 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,1,0,0,0|2,0,0]=4 763 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,1,0,0,0|1,0,1]=4 764 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,1,0,0,0|1,0,1]=4 765 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,1,0,0,0|1,0,1]=4 766 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,1,0,0,0|1,0,1]=4 767 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,1,0,0,0|0,1,0]=3 768 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,1,0,0,0|0,0,0]=2 769 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,1,0,0,0|0,0,0]=2 770 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,1,0,0,0|0,1,0]=3 771 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,1,0,0,0|1,0,1]=4 772 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,1,0,0,0|1,0,0]=3 773 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,1,0,0,0|1,0,0]=3 774 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,1,0,0,0|1,0,0]=3 775 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,1,0,0,0|1,0,0]=3 776 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,1,0,0,0|1,0,0]=3 777 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,1,0,0,0|1,0,0]=3 778 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,1,0,0,0|1,0,0]=3 779 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,1,0,0,0|2,0,0]=4 780 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,1,0,0,0|2,0,0]=4 781 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,1,0,0,0|2,0,0]=4 782 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,1,0,0,0|2,0,0]=4 783 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,1,0,0,0|1,0,1]=4 784 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,1,0,0,0|1,0,1]=4 785 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,1,0,0,0|1,0,0]=3 786 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,1,0,0,0|1,0,0]=3 787 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,1,0,0,0|2,0,0]=4 788 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,1,0,0,0|2,0,0]=4 789 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,1,0,0,0|2,0,0]=4 790 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,1,0,0,0|2,0,0]=4 791 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,1,0,0,0|2,0,0]=4 792 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,1,0,0,0|2,0,0]=4 793 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,1,0,0,0|2,0,0]=4 794 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,1,0,0,0|2,0,0]=4 795 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,1,0,0,0|2,0,0]=4 796 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,1,0,0,0|2,0,0]=4 797 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,1,0,0,0|0,1,0]=3 798 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,1,0,0,0|0,1,0]=3 799 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,1,0,0,0|1,1,0]=4 800 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,1,0,0,0|0,1,0]=3 801 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,1,0,0,0|1,1,0]=4 802 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,1,0,0,0|1,1,0]=4 803 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,1,0,0,0|1,1,0]=4 804 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,1,0,0,0|1,1,0]=4 805 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,1,0,0,0|1,1,0]=4 806 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,1,0,0,0|0,0,0]=2 807 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,1,0,0,0|0,0,0]=2 808 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,1,0,0,0|0,0,0]=2 809 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,1,0,0,0|1,0,0]=3 810 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,1,0,0,0|1,0,0]=3 811 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,1,0,0,0|0,0,0]=2 812 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,1,0,0,0|1,0,0]=3 813 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,1,0,0,0|1,0,0]=3 814 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,1,0,0,0|1,0,0]=3 815 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,1,0,0,0|1,0,0]=3 816 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,1,0,0,0|2,0,0]=4 817 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,1,0,0,0|2,0,0]=4 818 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,1,0,0,0|1,1,0]=4 819 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,1,0,0,0|1,1,0]=4 820 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,1,0,0,0|2,0,0]=4 821 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,1,0,0,0|1,1,0]=4 822 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,1,0,0,0|0,1,0]=3 823 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,1,0,0,0|1,0,0]=3 824 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,1,0,0,0|1,0,0]=3 825 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,1,0,0,0|1,0,0]=3 826 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,1,0,0,0|1,0,0]=3 827 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,1,0,0,0|1,0,0]=3 828 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,1,0,0,0|1,0,0]=3 829 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,1,0,0,0|1,0,0]=3 830 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,1,0,0,0|1,0,1]=4 831 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,1,0,0,0|1,0,1]=4 832 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,1,0,0,0|1,0,1]=4 833 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,1,0,0,0|1,0,1]=4 834 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,1,0,0,0|1,0,0]=3 835 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,1,0,0,0|2,0,0]=4 836 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,1,0,0,0|2,0,0]=4 837 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,1,0,0,0|2,0,0]=4 838 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,1,0,0,0|1,1,0]=4 839 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,1,0,0,0|1,1,0]=4 840 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,1,0,0,0|1,1,0]=4 841 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,1,0,0,0|1,0,0]=3 842 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,1,0,0,0|1,0,0]=3 843 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,1,0,0,0|1,0,0]=3 844 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,1,0,0,0|1,0,0]=3 845 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,1,0,0,0|2,0,0]=4 846 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,1,0,0,0|1,1,0]=4 847 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,1,0,0,0|1,1,0]=4 848 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,1,0,0,0|1,1,0]=4 849 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,1,0,0,0|1,0,0]=3 850 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,1,0,0,0|1,0,0]=3 851 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,1,0,0,0|1,0,0]=3 852 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,1,0,0,0|1,0,0]=3 853 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,1,0,0,0|1,0,1]=4 854 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,1,0,0,0|1,0,1]=4 855 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,1,1,0,0,0|1,0,1]=4 856 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,1,1,0,0,0|1,0,1]=4 857 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,1,0,0,0|1,0,0]=3 858 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,1,0,0,0|1,0,0]=3 859 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,1,0,0,0|1,0,0]=3 860 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,1,0,0,0|1,0,1]=4 861 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,1,0,0,0|1,0,1]=4 862 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,1,0,0,0|1,0,1]=4 863 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,1,0,0,0|1,0,0]=3 864 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,1,0,0,0|2,0,0]=4 865 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,1,0,0,0|1,1,0]=4 866 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,1,0,0,0|1,0,0]=3 867 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,1,0,0,0|1,0,0]=3 868 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,1,0,0,0|0,1,1]=4 869 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,1,0,0,0|1,0,0]=3 870 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,1,0,0,0|1,0,0]=3 871 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,1,0,0,0|1,0,0]=3 872 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,1,0,0,0|0,1,0]=3 873 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,1,0,0,0|0,1,0]=3 874 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,1,0,0,0|0,1,0]=3 875 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,1,0,0,0|0,0,0]=2 876 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,1,0,0,0|0,0,0]=2 877 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,1,0,0,0|0,1,0]=3 878 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,1,0,0,0|1,0,1]=4 879 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,1,0,0,0|1,0,1]=4 880 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,1,0,0,0|1,0,0]=3 881 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,1,0,0,0|1,0,0]=3 882 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,1,0,0,0|1,0,0]=3 883 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,1,0,0,0|1,0,0]=3 884 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,1,0,0,0|0,1,0]=3 885 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,1,0,0,0|0,1,0]=3 886 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,1,0,0,0|0,0,0]=2 887 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,1,0,0,0|0,0,0]=2 888 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,1,0,0,0|1,0,1]=4 889 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,1,0,0,0|1,0,1]=4 890 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,1,0,0,0|1,0,1]=4 891 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,1,0,0,0|1,0,1]=4 892 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,1,0,0,0|1,0,1]=4 893 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,1,0,0,0|1,0,1]=4 894 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,1,0,0,0|0,0,2]=4 895 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,1,0,0,0|0,0,2]=4 896 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,1,0,0,0|0,0,2]=4 897 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,1,0,0,0|0,0,2]=4 898 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,1,0,0,0|1,0,0]=3 899 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,1,0,0,0|1,0,0]=3 900 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,1,0,0,0|1,0,0]=3 901 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,1,0,0,0|2,0,0]=4 902 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,1,0,0,0|1,0,1]=4 903 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,1,0,0,0|1,0,1]=4 904 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,1,0,0,0|1,0,1]=4 905 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,1,0,0,0|1,0,1]=4 906 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,1,0,0,0|1,0,0]=3 907 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,1,0,0,0|1,0,0]=3 908 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,1,0,0,0|1,0,0]=3 909 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,1,0,0,0|1,0,0]=3 910 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,1,0,0,0|1,0,0]=3 911 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,1,0,0,0|1,0,0]=3 912 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,1,0,0,0|1,0,0]=3 913 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,1,0,0,0|2,0,0]=4 914 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,1,0,0,0|2,0,0]=4 915 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,1,0,0,0|2,0,0]=4 916 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,1,0,0,0|2,0,0]=4 917 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,1,0,0,0|0,1,0]=3 918 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,1,0,0,0|0,1,0]=3 919 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,1,0,0,0|1,1,0]=4 920 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,1,0,0,0|0,1,0]=3 921 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,1,0,0,0|1,1,0]=4 922 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,1,0,0,0|0,0,0]=2 923 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,1,0,0,0|1,0,0]=3 924 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,1,0,0,0|1,0,0]=3 925 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,1,0,0,0|0,0,0]=2 926 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,1,0,0,0|1,0,0]=3 927 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,1,0,0,0|1,0,0]=3 928 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,1,0,0,0|1,0,1]=4 929 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,1,0,0,0|1,0,1]=4 930 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,1,0,0,0|0,0,2]=4 931 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,1,0,0,0|0,0,2]=4 932 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,1,0,0,0|0,0,2]=4 933 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,1,0,0,0|0,0,2]=4 934 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,1,1,0,0,0|2,0,0]=4 935 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,1,0,0,0|2,0,0]=4 936 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,1,0,0,0|2,0,0]=4 937 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,1,0,0,0|2,0,0]=4 938 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,1,0,0,0|2,0,0]=4 939 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,1,0,0,0|2,0,0]=4 940 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,1,0,0,0|1,0,0]=3 941 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,1,0,0,0|2,0,0]=4 942 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,1,0,0,0|2,0,0]=4 943 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,1,0,0,0|2,0,0]=4 944 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,1,0,0,0|1,0,0]=3 945 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,1,0,0,0|1,1,0]=4 946 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,1,0,0,0|0,1,1]=4 947 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,1,0,0,0|0,1,1]=4 948 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,1,0,0,0|1,1,0]=4 949 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,1,0,0,0|1,1,0]=4 950 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,1,0,0,0|0,1,0]=3 951 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,1,0,0,0|0,1,0]=3 952 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,1,0,0,0|0,1,0]=3 953 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,1,0,0,0|0,1,0]=3 954 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,1,0,0,0|1,1,0]=4 955 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,1,0,0,0|1,1,0]=4 956 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,1,0,0,0|1,1,0]=4 957 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,1,0,0,0|0,1,0]=3 958 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,1,0,0,0|0,1,0]=3 959 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,1,0,0,0|1,0,0]=3 960 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,1,0,0,0|1,0,0]=3 961 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,1,0,0,0|0,0,0]=2 962 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,1,0,0,0|0,0,0]=2 963 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,1,0,0,0|0,0,0]=2 964 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,1,0,0,0|0,0,0]=2 965 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,1,0,0,0|1,0,0]=3 966 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,1,0,0,0|1,0,0]=3 967 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,1,0,0,0|0,0,0]=2 968 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,1,0,0,0|1,0,1]=4 969 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,1,0,0,0|1,0,1]=4 970 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,1,0,0,0|0,0,2]=4 971 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,1,0,0,0|0,0,2]=4 972 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,1,0,0,0|2,0,0]=4 973 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,1,0,0,0|2,0,0]=4 974 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,1,0,0,0|2,0,0]=4 975 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,1,0,0,0|2,0,0]=4 976 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,1,0,0,0|2,0,0]=4 977 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,1,0,0,0|2,0,0]=4 978 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,1,0,0,0|2,0,0]=4 979 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,1,0,0,0|1,0,1]=4 980 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,1,0,0,0|1,0,1]=4 981 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,1,0,0,0|0,0,0]=2 982 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,1,0,0,0|0,0,0]=2 983 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,1,0,0,0|1,0,1]=4 984 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,1,0,0,0|1,0,1]=4 985 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,1,0,0,0|1,0,1]=4 986 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,1,0,0,0|1,0,1]=4 987 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,1,0,0,0|1,0,1]=4 988 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,1,0,0,0|0,0,2]=4 989 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,1,0,0,0|0,0,2]=4 990 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,1,0,0,0|1,0,0]=3 991 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,1,0,0,0|1,0,0]=3 992 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,1,0,0,0|2,0,0]=4 993 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,1,0,0,0|1,0,0]=3 994 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,1,0,0,0|1,0,0]=3 995 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,1,1,0,0,0|2,0,0]=4 996 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,1,0,0,0|0,1,1]=4 997 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,1,0,0,0|1,0,0]=3 998 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,1,0,0,0|1,1,0]=4 999 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,1,0,0,0|1,1,0]=4 1000 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,1,0,0,0|1,1,0]=4 1001 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,1,0,0,0|1,0,0]=3 1002 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,1,0,0,0|1,0,0]=3 1003 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,1,1,0,0,0|1,0,1]=4 1004 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,1,1,0,0,0|1,0,1]=4 1005 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,1,1,0,0,0|1,0,1]=4 1006 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,1,1,0,0,0|1,0,1]=4 1007 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,1,1,0,0,0|0,0,2]=4 1008 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,1,1,0,0,0|0,0,2]=4 1009 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,1,1,0,0,0|1,0,1]=4 1010 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,1,1,0,0,0|1,0,1]=4 1011 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,1,1,0,0,0|1,0,1]=4 1012 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,1,1,0,0,0|1,0,1]=4 1013 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,1,1,0,0,0|0,0,2]=4 1014 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,1,1,0,0,0|0,0,2]=4 1015 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,1,1,0,0,0|2,0,0]=4 1016 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,1,1,0,0,0|2,0,0]=4 1017 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,1,1,0,0,0|2,0,0]=4 1018 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,1,1,0,0,0|2,0,0]=4 1019 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [0,1,1,0,0,0|2,0,0]=4 1020 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [0,1,1,0,0,0|2,0,0]=4 1021 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [0,1,1,0,0,0|1,1,0]=4 1022 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [0,1,1,0,0,0|1,1,0]=4 1023 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [0,1,1,0,0,0|2,0,0]=4 1024 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [0,1,1,0,0,0|2,0,0]=4 1025 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [0,1,1,0,0,0|1,1,0]=4 1026 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [0,1,1,0,0,0|1,1,0]=4 1027 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,1,1,0,0,0|2,0,0]=4 1028 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,1,1,0,0,0|2,0,0]=4 1029 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,1,1,0,0,0|2,0,0]=4 1030 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,1,1,0,0,0|2,0,0]=4 1031 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,1,1,0,0,0|1,0,1]=4 1032 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,1,1,0,0,0|1,0,1]=4 1033 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,1,1,0,0,0|1,0,1]=4 1034 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,1,1,0,0,0|1,0,1]=4 1035 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,1,1,0,0,0|1,0,1]=4 1036 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,1,1,0,0,0|1,0,1]=4 1037 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [0,1,1,0,0,0|1,0,1]=4 1038 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [0,1,1,0,0,0|1,0,1]=4 1039 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,1,1,0,0,0|1,0,1]=4 1040 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,1,1,0,0,0|1,0,1]=4 1041 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,1,1,0,0,0|0,1,1]=4 1042 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,1,1,0,0,0|1,0,1]=4 1043 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [0,1,1,0,0,0|1,0,1]=4 1044 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,1,1,0,0,0|0,0,1]=3 1045 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,1,1,0,0,0|1,0,1]=4 1046 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,1,1,0,0,0|1,0,1]=4 1047 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,1,1,0,0,0|1,0,1]=4 1048 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,1,1,0,0,0|1,0,1]=4 1049 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,1,1,0,0,0|1,0,1]=4 1050 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,1,1,0,0,0|1,1,0]=4 1051 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,1,1,0,0,0|1,1,0]=4 1052 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,1,1,0,0,0|1,1,0]=4 1053 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,1,1,0,0,0|1,1,0]=4 1054 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,1,1,0,0,0|1,0,0]=3 1055 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,1,1,0,0,0|1,0,0]=3 1056 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,1,1,0,0,0|1,0,1]=4 1057 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,1,1,0,0,0|1,0,1]=4 1058 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,1,1,0,0,0|2,0,0]=4 1059 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,1,1,0,0,0|2,0,0]=4 1060 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,1,1,0,0,0|2,0,0]=4 1061 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,1,1,0,0,0|2,0,0]=4 1062 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,1,1,0,0,0|2,0,0]=4 1063 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,1,1,0,0,0|2,0,0]=4 1064 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,1,1,0,0,0|2,0,0]=4 1065 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,1,1,0,0,0|1,1,0]=4 1066 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,1,1,0,0,0|1,1,0]=4 1067 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,1,1,0,0,0|1,1,0]=4 1068 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,1,1,0,0,0|1,1,0]=4 1069 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,1,1,0,0,0|1,1,0]=4 1070 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,1,1,0,0,0|1,0,0]=3 1071 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,1,1,0,0,0|1,0,0]=3 1072 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,1,1,0,0,0|1,0,0]=3 1073 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,1,1,0,0,0|1,0,0]=3 1074 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,1,1,0,0,0|2,0,0]=4 1075 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,1,1,0,0,0|2,0,0]=4 1076 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,1,1,0,0,0|1,1,0]=4 1077 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,1,1,0,0,0|1,1,0]=4 1078 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,1,1,0,0,0|1,1,0]=4 1079 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,1,1,0,0,0|1,0,0]=3 1080 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,1,1,0,0,0|1,0,0]=3 1081 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,1,1,0,0,0|1,0,0]=3 1082 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,1,1,0,0,0|1,0,0]=3 1083 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,1,1,0,0,0|1,0,1]=4 1084 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,1,1,0,0,0|2,0,0]=4 1085 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,1,1,0,0,0|2,0,0]=4 1086 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,1,1,0,0,0|2,0,0]=4 1087 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,1,1,0,0,0|2,0,0]=4 1088 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,1,1,0,0,0|2,0,0]=4 1089 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,1,1,0,0,0|2,0,0]=4 1090 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,1,1,0,0,0|1,1,0]=4 1091 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,1,1,0,0,0|1,0,0]=3 1092 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,1,1,0,0,0|0,1,1]=4 1093 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,1,1,0,0,0|1,1,0]=4 1094 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,1,1,0,0,0|1,1,0]=4 1095 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,1,1,0,0,0|1,1,0]=4 1096 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,1,1,0,0,0|1,1,0]=4 1097 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,1,1,0,0,0|1,1,0]=4 1098 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,1,1,0,0,0|1,1,0]=4 1099 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,1,1,0,0,0|1,0,0]=3 1100 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [0,1,1,0,0,0|1,0,1]=4 1101 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [0,1,1,0,0,0|1,0,1]=4 1102 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,1,1,0,0,0|1,0,1]=4 1103 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,1,1,0,0,0|0,0,1]=3 1104 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,1,1,0,0,0|0,0,1]=3 1105 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,1,1,0,0,0|1,0,0]=3 1106 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,1,1,0,0,0|1,0,0]=3 1107 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,1,1,0,0,0|1,0,0]=3 1108 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,1,1,0,0,0|1,0,0]=3 1109 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,1,1,0,0,0|1,0,0]=3 1110 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,1,1,0,0,0|1,0,0]=3 1111 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,1,1,0,0,0|1,0,0]=3 1112 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,1,1,0,0,0|1,0,0]=3 1113 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,1,1,0,0,0|1,0,0]=3 1114 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,1,1,0,0,0|1,0,0]=3 1115 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,1,1,0,0,0|2,0,0]=4 1116 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,1,1,0,0,0|2,0,0]=4 1117 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,1,1,0,0,0|2,0,0]=4 1118 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,1,1,0,0,0|1,1,0]=4 1119 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,1,1,0,0,0|1,1,0]=4 1120 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,1,1,0,0,0|1,1,0]=4 1121 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,1,1,0,0,0|1,0,0]=3 1122 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,1,1,0,0,0|1,0,0]=3 1123 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,1,1,0,0,0|1,0,0]=3 1124 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,1,1,0,0,0|1,0,0]=3 1125 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,1,1,0,0,0|1,0,1]=4 1126 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,1,1,0,0,0|1,0,1]=4 1127 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,1,1,0,0,0|1,0,1]=4 1128 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,1,1,0,0,0|1,0,1]=4 1129 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,1,1,0,0,0|1,0,1]=4 1130 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,1,1,0,0,0|1,0,1]=4 1131 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,1,0,0,0|2,0,0]=4 1132 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,1,1,0,0,0|1,1,0]=4 1133 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,1,1,0,0,0|1,0,0]=3 1134 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,1,1,0,0,0|1,0,0]=3 1135 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,1,1,0,0,0|1,0,1]=4 1136 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,1,1,0,0,0|1,0,1]=4 1137 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,1,1,0,0,0|1,0,1]=4 1138 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,1,1,0,0,0|1,0,1]=4 1139 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,1,1,0,0,0|1,0,1]=4 1140 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,1,1,0,0,0|1,0,1]=4 1141 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,1,1,0,0,0|1,0,1]=4 1142 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,1,1,0,0,0|1,0,1]=4 1143 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,1,1,0,0,0|1,0,1]=4 1144 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,1,1,0,0,0|1,0,1]=4 1145 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,1,1,0,0,0|0,1,0]=3 1146 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,1,1,0,0,0|1,0,1]=4 1147 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,1,1,0,0,0|1,0,1]=4 1148 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,1,1,0,0,0|1,0,1]=4 1149 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,1,1,0,0,0|0,0,0]=2 1150 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,1,1,0,0,0|0,0,0]=2 1151 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,1,1,0,0,0|1,0,1]=4 1152 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,1,1,0,0,0|1,0,1]=4 1153 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,1,1,0,0,0|1,0,1]=4 1154 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,1,1,0,0,0|0,0,2]=4 1155 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,1,1,0,0,0|0,0,2]=4 1156 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,1,1,0,0,0|1,0,1]=4 1157 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,1,1,0,0,0|1,0,1]=4 1158 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,1,1,0,0,0|1,0,1]=4 1159 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,1,1,0,0,0|1,0,1]=4 1160 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,1,1,0,0,0|1,0,1]=4 1161 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,1,1,0,0,0|1,0,1]=4 1162 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,1,1,0,0,0|1,0,1]=4 1163 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,1,1,0,0,0|1,0,1]=4 1164 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,1,1,0,0,0|1,0,1]=4 1165 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,1,1,0,0,0|1,0,1]=4 1166 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,1,1,0,0,0|1,0,1]=4 1167 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,1,1,0,0,0|1,0,1]=4 1168 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,1,1,0,0,0|1,0,1]=4 1169 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,1,1,0,0,0|1,0,1]=4 1170 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,1,1,0,0,0|1,0,1]=4 1171 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,1,1,0,0,0|1,0,1]=4 1172 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,1,1,0,0,0|1,0,1]=4 1173 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,1,1,0,0,0|1,0,1]=4 1174 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,1,1,0,0,0|1,0,1]=4 1175 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,1,1,0,0,0|0,0,2]=4 1176 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,1,1,0,0,0|0,0,2]=4 1177 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,1,1,0,0,0|1,0,1]=4 1178 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,1,1,0,0,0|1,0,1]=4 1179 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,1,1,0,0,0|1,0,1]=4 1180 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,1,1,0,0,0|1,0,1]=4 1181 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,1,1,0,0,0|1,0,1]=4 1182 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,1,1,0,0,0|0,0,2]=4 1183 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,1,1,0,0,0|0,0,2]=4 1184 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,1,1,0,0,0|0,0,2]=4 1185 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,1,1,0,0,0|0,0,2]=4 1186 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,1,1,0,0,0|0,0,2]=4 1187 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,1,1,0,0,0|0,0,2]=4 1188 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,1,1,0,0,0|0,0,2]=4 1189 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,1,1,0,0,0|0,1,1]=4 1190 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,1,1,0,0,0|0,1,1]=4 1191 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,1,1,0,0,0|0,1,1]=4 1192 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,1,1,0,0,0|0,1,1]=4 1193 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,1,1,0,0,0|0,1,1]=4 1194 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,1,1,0,0,0|0,1,1]=4 1195 B6R0.6 CCSCSC#N 62a_100000210202_100000211825 [0,1,1,0,0,0|1,0,1]=4 1196 B6R0.6 CCSCSC#N 62a_100000211825_100000210202 [0,1,1,0,0,0|1,0,1]=4 1197 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,1,1,0,0,0|1,0,0]=3 1198 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,1,1,0,0,0|1,0,0]=3 1199 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,1,1,0,0,0|1,0,1]=4 1200 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,1,1,0,0,0|0,0,2]=4 1201 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,1,1,0,0,0|0,0,2]=4 1202 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,1,1,0,0,0|0,0,2]=4 1203 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,1,1,0,0,0|0,0,2]=4 1204 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,1,1,0,0,0|0,0,2]=4 1205 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,1,1,0,0,0|0,0,2]=4 1206 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,1,1,0,0,0|2,0,0]=4 1207 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,1,1,0,0,0|2,0,0]=4 1208 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,1,1,0,0,0|1,0,1]=4 1209 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,1,1,0,0,0|1,0,1]=4 1210 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,1,1,0,0,0|0,0,0]=2 1211 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,1,1,0,0,0|0,0,0]=2 1212 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,1,1,0,0,0|1,0,1]=4 1213 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,1,1,0,0,0|1,0,1]=4 1214 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,1,1,0,0,0|0,0,2]=4 1215 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,1,1,0,0,0|0,0,2]=4 1216 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,1,1,0,0,0|2,0,0]=4 1217 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,1,1,0,0,0|2,0,0]=4 1218 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,1,1,0,0,0|2,0,0]=4 1219 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,1,1,0,0,0|1,0,1]=4 1220 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,1,1,0,0,0|1,0,1]=4 1221 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,1,1,0,0,0|0,0,0]=2 1222 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,1,1,0,0,0|0,0,0]=2 1223 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,1,1,0,0,0|1,0,1]=4 1224 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,1,1,0,0,0|1,0,1]=4 1225 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,1,1,0,0,0|0,0,2]=4 1226 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,1,1,0,0,0|0,0,2]=4 1227 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,1,1,0,0,0|1,0,1]=4 1228 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,1,1,0,0,0|0,0,2]=4 1229 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,1,1,0,0,0|0,0,2]=4 1230 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,1,1,0,0,0|1,0,1]=4 1231 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,1,1,0,0,0|1,0,1]=4 1232 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,1,1,0,0,0|1,0,1]=4 1233 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,1,1,0,0,0|1,0,1]=4 1234 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,1,1,0,0,0|1,0,1]=4 1235 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,1,1,0,0,0|1,0,1]=4 1236 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,1,1,0,0,0|1,0,1]=4 1237 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,1,1,0,0,0|0,0,2]=4 1238 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,1,1,0,0,0|0,0,2]=4 1239 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,1,1,0,0,0|1,0,1]=4 1240 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,1,1,0,0,0|1,0,1]=4 1241 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,1,1,0,0,0|1,0,1]=4 1242 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,1,1,0,0,0|1,0,1]=4 1243 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,1,1,0,0,0|0,0,0]=2 1244 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,1,1,0,0,0|0,0,0]=2 1245 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,1,1,0,0,0|1,0,1]=4 1246 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,1,1,0,0,0|1,0,1]=4 1247 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,1,1,0,0,0|0,0,2]=4 1248 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,1,1,0,0,0|0,0,2]=4 1249 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,1,1,0,0,0|2,0,0]=4 1250 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,1,1,0,0,0|1,0,1]=4 1251 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,1,1,0,0,0|1,0,1]=4 1252 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,1,1,0,0,0|1,0,1]=4 1253 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [0,1,1,0,0,0|1,0,1]=4 1254 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [0,1,1,0,0,0|1,0,1]=4 1255 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,1,1,0,0,0|0,0,1]=3 1256 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,1,1,0,0,0|0,0,1]=3 1257 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,1,1,0,0,0|1,0,1]=4 1258 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,1,1,0,0,0|1,0,1]=4 1259 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,1,1,0,0,0|1,0,1]=4 1260 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,1,1,0,0,0|1,0,1]=4 1261 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,1,1,0,0,0|0,1,0]=3 1262 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,1,1,0,0,0|1,0,0]=3 1263 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,1,1,0,0,0|1,0,0]=3 1264 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,1,1,0,0,0|1,0,0]=3 1265 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,1,1,0,0,0|0,1,0]=3 1266 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,1,1,0,0,0|0,0,1]=3 1267 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,1,1,0,0,0|0,0,0]=2 1268 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,1,1,0,0,0|0,0,0]=2 1269 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,1,1,0,0,0|0,0,0]=2 1270 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,1,1,0,0,0|0,0,0]=2 1271 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,1,1,0,0,0|0,0,2]=4 1272 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,1,1,0,0,0|0,0,2]=4 1273 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,1,1,0,0,0|0,0,2]=4 1274 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,1,1,0,0,0|0,0,2]=4 1275 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,1,1,0,0,0|0,0,2]=4 1276 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,1,1,0,0,0|1,0,1]=4 1277 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,1,1,0,0,0|1,0,1]=4 1278 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,1,1,0,0,0|0,0,0]=2 1279 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,1,1,0,0,0|0,0,0]=2 1280 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,1,1,0,0,0|1,0,1]=4 1281 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,1,1,0,0,0|1,0,1]=4 1282 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,1,1,0,0,0|0,0,2]=4 1283 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,1,1,0,0,0|0,0,2]=4 1284 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,1,1,0,0,0|1,0,1]=4 1285 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,1,1,0,0,0|1,0,1]=4 1286 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,0,1,0|2,0,0]=4 1287 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,0,1,0|2,0,0]=4 1288 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,0,1,0|2,0,0]=4 1289 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,0,1,0|2,0,0]=4 1290 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,1,0,0,1,0|2,0,0]=4 1291 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,1,0,0,1,0|2,0,0]=4 1292 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,1,0,0,1,0|2,0,0]=4 1293 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,1,0,0,1,0|2,0,0]=4 1294 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,1,0,0,1,0|2,0,0]=4 1295 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,1,0,0,1,0|2,0,0]=4 1296 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,1,0,0,1,0|2,0,0]=4 1297 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,1,0,0,1,0|2,0,0]=4 1298 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,1,0,0,1,0|2,0,0]=4 1299 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,0,1,0|2,0,0]=4 1300 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,1,0,0,1,0|2,0,0]=4 1301 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,1,0,0,1,0|2,0,0]=4 1302 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,1,0,0,1,0|2,0,0]=4 1303 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,0,1,0|2,0,0]=4 1304 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,1,0,0,1,0|2,0,0]=4 1305 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,0,1,0|1,0,1]=4 1306 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,0,1,0|1,0,1]=4 1307 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,0,1,0|1,0,1]=4 1308 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,0,1,0|1,0,1]=4 1309 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,0,1,0|0,0,2]=4 1310 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,0,1,0|0,0,2]=4 1311 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,1,0,0,1,0|0,0,2]=4 1312 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,1,0,0,1,0|0,1,1]=4 1313 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,1,0,0,1,0|2,0,0]=4 1314 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,0,1,0|1,0,1]=4 1315 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,0,1,0|1,0,1]=4 1316 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,0,1,0|0,0,2]=4 1317 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,1,0,0,1,0|0,0,2]=4 1318 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,1,0,0,1,0|0,1,1]=4 1319 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,1,0,0,0,1|2,0,0]=4 1320 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,1,0,0,0,1|2,0,0]=4 1321 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,0,0,1|1,0,1]=4 1322 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,0,0,1|1,0,1]=4 1323 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,0,0,1|1,0,1]=4 1324 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,0,0,1|1,0,1]=4 1325 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,0,0,1|1,0,1]=4 1326 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,0,0,1|1,0,1]=4 1327 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,0,0,1|0,0,2]=4 1328 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,0,0,1|0,0,2]=4 1329 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,0,0,1|0,0,2]=4 1330 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,0,0,1|0,0,2]=4 1331 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,0,0,1|0,1,1]=4 1332 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,1,0,0,0,1|2,0,0]=4 1333 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,0,0,1|1,0,1]=4 1334 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,0,0,1|1,0,1]=4 1335 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,0,0,1|0,0,2]=4 1336 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,0,0,1|0,0,2]=4 1337 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,0,0,1|0,0,2]=4 1338 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,0,0,1|0,1,1]=4 1339 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,0,0,1|2,0,0]=4 1340 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,0,0,1|2,0,0]=4 1341 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,0,0,1|2,0,0]=4 1342 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,0,0,1|2,0,0]=4 1343 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,0,0,1|2,0,0]=4 1344 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,0,0,1|2,0,0]=4 1345 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,0,0,1|2,0,0]=4 1346 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,0,0,1|2,0,0]=4 1347 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,0,0,1|2,0,0]=4 1348 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,0,0,1|2,0,0]=4 1349 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,0,0,1|2,0,0]=4 1350 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,0,0,1|2,0,0]=4 1351 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,0,0,1|2,0,0]=4 1352 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,0,0,1|2,0,0]=4 1353 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,0,0,1|2,0,0]=4 1354 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,0,0,1|2,0,0]=4 1355 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,0,0,1|2,0,0]=4 1356 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,0,0,1|2,0,0]=4 1357 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,0,0,1|2,0,0]=4 1358 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,0,0,1|2,0,0]=4 1359 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,0,0,1|2,0,0]=4 1360 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,0,0,1|2,0,0]=4 1361 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,0,0,1|1,0,0]=3 1362 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,0,0,1|1,0,0]=3 1363 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,0,0,1|1,0,0]=3 1364 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,0,0,1|1,0,0]=3 1365 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,2,0,0,0,0|2,0,0]=4 1366 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,2,0,0,0,0|2,0,0]=4 1367 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,2,0,0,0,0|1,0,0]=3 1368 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,2,0,0,0,0|2,0,0]=4 1369 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,2,0,0,0,0|2,0,0]=4 1370 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,2,0,0,0,0|1,0,0]=3 1371 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,2,0,0,0,0|2,0,0]=4 1372 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,2,0,0,0,0|1,0,1]=4 1373 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,2,0,0,0,0|0,1,1]=4 1374 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,2,0,0,0,0|0,1,1]=4 1375 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,2,0,0,0,0|1,0,1]=4 1376 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,2,0,0,0,0|1,0,1]=4 1377 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,2,0,0,0,0|0,1,1]=4 1378 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,2,0,0,0,0|0,1,1]=4 1379 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,2,0,0,0,0|2,0,0]=4 1380 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,2,0,0,0,0|2,0,0]=4 1381 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,2,0,0,0,0|1,0,0]=3 1382 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,2,0,0,0,0|1,0,0]=3 1383 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,2,0,0,0,0|1,0,0]=3 1384 B8R1.7 CC(C)N1CCSC1 2230a_100011215254_100000210206 [0,2,0,0,0,0|2,0,0]=4 1385 B8R1.7 CC(C)N1CCSC1 269982a_100011215254_100000210206 [0,2,0,0,0,0|2,0,0]=4 1386 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [0,2,0,0,0,0|1,0,1]=4 1387 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,2,0,0,0,0|1,0,1]=4 1388 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,2,0,0,0,0|0,1,1]=4 1389 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,2,0,0,0,0|0,1,1]=4 1390 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,2,0,0,0,0|1,0,1]=4 1391 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,2,0,0,0,0|0,1,1]=4 1392 B8R1.8 C#CCN1CCSC1 2230a_100011215254_100000038162 [0,2,0,0,0,0|2,0,0]=4 1393 B8R1.8 C=CCN1CCSC1 2230a_100011215254_100000210623 [0,2,0,0,0,0|2,0,0]=4 1394 B8R1.8 C=CCN1CCSC1 269982a_100011215254_100000210623 [0,2,0,0,0,0|2,0,0]=4 1395 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,2,0,0,0,0|2,0,0]=4 1396 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,2,0,0,0,0|2,0,0]=4 1397 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,2,0,0,0,0|1,0,1]=4 1398 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,2,0,0,0,0|0,0,2]=4 1399 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [0,2,0,0,0,0|1,0,1]=4 1400 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [0,2,0,0,0,0|1,0,1]=4 1401 B8R1.8 CSCN1CCSC1 2230a_100011215254_100011218213 [0,2,0,0,0,0|1,1,0]=4 1402 B8R1.8 CSCN1CCSC1 269982a_100011215254_100011218213 [0,2,0,0,0,0|1,1,0]=4 1403 B8R1.8 FCCN1CCSC1 2230a_100011215254_100011217306 [0,2,0,0,0,0|2,0,0]=4 1404 B8R1.8 FCCN1CCSC1 269982a_100011215254_100011217306 [0,2,0,0,0,0|2,0,0]=4 1405 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,2,0,0,0,0|0,0,2]=4 1406 B8R1.8 N#CCN1CCSC1 2230a_100011215254_100011215382 [0,2,0,0,0,0|2,0,0]=4 1407 B8R1.8 N#CCN1CCSC1 269982a_100011215254_100011214920 [0,2,0,0,0,0|2,0,0]=4 1408 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,2,0,0,0,0|2,0,0]=4 1409 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,2,0,0,0,0|2,0,0]=4 1410 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,2,0,0,0,0|1,0,0]=3 1411 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,2,0,0,0,0|1,0,0]=3 1412 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,2,0,0,0,0|1,0,1]=4 1413 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,2,0,0,0,0|1,0,1]=4 1414 B8R1.11 CC1SCCN1CF 269982a_200011216479_100015361967 [0,2,0,0,0,0|2,0,0]=4 1415 B8R1.11 CC1SCCN1CF 34a_200011216479_100015361967 [0,2,0,0,0,0|2,0,0]=4 1416 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,2,0,0,0,0|2,0,0]=4 1417 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,2,0,0,0,0|2,0,0]=4 1418 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,2,0,0,0,0|2,0,0]=4 1419 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,2,0,0,0,0|1,0,0]=3 1420 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,2,0,0,0,0|1,0,0]=3 1421 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,2,0,0,0,0|1,0,0]=3 1422 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1423 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1424 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,2,0,0,0,0|2,0,0]=4 1425 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,2,0,0,0,0|2,0,0]=4 1426 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,2,0,0,0,0|2,0,0]=4 1427 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,2,0,0,0,0|1,1,0]=4 1428 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,2,0,0,0,0|1,1,0]=4 1429 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,2,0,0,0,0|1,0,0]=3 1430 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,2,0,0,0,0|1,0,0]=3 1431 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,2,0,0,0,0|2,0,0]=4 1432 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,2,0,0,0,0|2,0,0]=4 1433 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,2,0,0,0,0|1,0,0]=3 1434 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,2,0,0,0,0|1,0,0]=3 1435 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,2,0,0,0,0|2,0,0]=4 1436 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,2,0,0,0,0|2,0,0]=4 1437 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1438 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1439 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,2,0,0,0,0|1,1,0]=4 1440 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,2,0,0,0,0|1,1,0]=4 1441 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,2,0,0,0,0|1,0,0]=3 1442 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,2,0,0,0,0|2,0,0]=4 1443 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,2,0,0,0,0|1,0,0]=3 1444 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,2,0,0,0,0|1,0,0]=3 1445 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,2,0,0,0,0|2,0,0]=4 1446 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,2,0,0,0,0|2,0,0]=4 1447 B8R1.19 CC1(SCCN1[13CH3])C 2230a_100011217261_200025704644 [0,2,0,0,0,0|2,0,0]=4 1448 B8R1.19 CC1(SCCN1[13CH3])C 269982a_100011217261_200025704644 [0,2,0,0,0,0|2,0,0]=4 1449 B8R1.19 CC1(SCCN1[13CH3])C 34a_100011217261_200025704644 [0,2,0,0,0,0|2,0,0]=4 1450 B8R1.19 CN1CCSC1(C)C 2230a_100011217261_200000210301 [0,2,0,0,0,0|2,0,0]=4 1451 B8R1.19 CN1CCSC1(C)C 269982a_100011217261_200000210301 [0,2,0,0,0,0|2,0,0]=4 1452 B8R1.19 CN1CCSC1(C)C 34a_100011217261_200000210301 [0,2,0,0,0,0|2,0,0]=4 1453 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,1,1,0,0|1,0,1]=4 1454 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,1,1,0,0|1,0,1]=4 1455 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,1,1,0,0|0,0,2]=4 1456 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,1,1,0,0|0,0,2]=4 1457 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,0,1,1,0,0|0,1,1]=4 1458 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,0,1,1,0,0|0,1,1]=4 1459 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,1,1,0,0|0,0,2]=4 1460 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,1,1,0,0|0,0,2]=4 1461 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,1,1,0,0|1,0,1]=4 1462 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,1,1,0,0|1,0,1]=4 1463 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,1,1,0,0|0,0,2]=4 1464 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,1,1,0,0|0,0,2]=4 1465 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,0,1,1,0,0|0,1,1]=4 1466 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,0,1,1,0,0|0,1,1]=4 1467 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,1,1,0,0|0,0,2]=4 1468 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,1,1,0,0|0,0,2]=4 1469 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,1,1,0,0|1,0,0]=3 1470 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,1,1,0,0|0,1,0]=3 1471 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,1,1,0,0|1,0,0]=3 1472 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,1,1,0,0|0,1,0]=3