0 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,0,0|1,1,2]=4 9 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,0,0|1,0,1]=2 18 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,0,0|1,1,1]=3 26 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.7 CN(C)c1nncs1 27a_100102631434_100000739804 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,0,0|1,0,1]=2 33 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,0,0|1,1,1]=3 35 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|0,0,3]=4 36 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [1,0,0,0,0,0|1,0,2]=4 37 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [1,0,0,0,0,0|1,0,2]=4 38 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,0,0|1,0,2]=4 41 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,0,0|1,0,2]=4 42 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,0,0|1,0,2]=4 47 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,0,0|1,0,2]=4 48 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,0,0,0|1,0,1]=3 58 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,0,0,0|1,1,1]=4 61 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,0,0,0|1,0,1]=3 77 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,0,0,0|1,1,1]=4 80 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,0,0,0|1,1,1]=4 81 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,0,0,0|1,1,1]=4 82 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,0,0,0|1,1,1]=4 83 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,0,0,0|1,1,1]=4 89 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [0,1,0,0,0,0|1,0,2]=4 95 B9R1.35 C=C(C)c1nc(ns1)C 271570a_100000694244_100000709739 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,1,0,0,0,0|1,0,2]=4 97 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.35 C=C(C)c1nnc(s1)N 271570a_100000694244_100000738278 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,0,0|0,0,2]=3 115 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,0,0|0,0,2]=3 116 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,0,0,0|1,0,2]=4 125 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,0,0|1,0,2]=4 126 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,0,0,0|1,0,2]=4 129 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,0,0|1,0,2]=4 131 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,0,0,0|1,1,1]=4 134 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,0,0,0|1,1,1]=4 136 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,1,0,0,0|2,0,1]=4 139 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,1,0,0,0|2,0,1]=4 140 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,0,1,0,0,0|2,0,1]=4 141 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,0,1,0,0,0|2,0,1]=4 142 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,0,1,0,0,0|2,0,1]=4 143 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,0,1,0,0,0|2,0,1]=4 144 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,0,1,0,0,0|1,0,2]=4 145 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,0,1,0,0,0|1,0,2]=4 146 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|2,0,1]=4 147 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|1,1,1]=4 148 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|1,1,1]=4 149 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,1,0,0,0|1,1,1]=4 150 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,1,0,0,0|1,1,1]=4 151 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,1,0,0,0|1,1,1]=4 152 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,0,1,0,0,0|0,0,3]=4 153 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 155 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|3,0,0]=4 157 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|2,1,0]=4 158 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|2,1,0]=4 159 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,1,0,0,0|1,1,1]=4 160 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,1,0,0,0|2,0,1]=4 161 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|2,0,0]=3 164 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|2,0,0]=3 165 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 169 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 170 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|3,0,0]=4 171 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|3,0,0]=4 172 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|2,0,1]=4 173 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|1,1,1]=4 174 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|1,1,1]=4 175 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|1,1,1]=4 176 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|1,0,1]=3 177 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|2,0,1]=4 179 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|1,0,1]=3 180 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|2,0,1]=4 181 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|2,0,1]=4 182 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,1,0,0,0|3,0,0]=4 183 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,1,0,0,0|3,0,0]=4 184 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,1,0,0,0|2,0,1]=4 187 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,1,0,0,0|2,0,1]=4 188 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,1,0,0,0|2,0,1]=4 189 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,1,0,0,0|2,0,1]=4 192 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,1,0,0,0|2,0,1]=4 193 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,1,0,0,0|2,0,1]=4 194 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|1,1,1]=4 195 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,1,0,0,0|1,1,1]=4 196 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,0,1,0,0,0|0,0,3]=4 197 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,1,0,0,0|2,1,0]=4 198 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,1,0,0,0|1,1,1]=4 199 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,1,0,0,0|2,1,0]=4 200 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,1,0,0,0|2,1,0]=4 201 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,1,0,0,0|2,0,1]=4 203 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,0,0|2,0,0]=3 205 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,0,0|2,0,1]=4 206 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,0,0|2,0,1]=4 207 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,0,0|2,0,1]=4 208 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 210 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 211 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,1,0,0,0|3,0,0]=4 212 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,0,0|1,1,1]=4 213 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,0,0|1,1,1]=4 214 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,1,0,0,0|0,1,1]=3 215 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,1,0,0,0|1,1,1]=4 216 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,1,0,0,0|0,1,1]=3 217 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,1,0,0,0|1,0,2]=4 218 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,1,0,0,0|1,1,1]=4 219 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,1,0,0,0|1,1,1]=4 220 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,1,0,0,0|1,1,1]=4 221 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,1,0,0,0|1,0,1]=3 222 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,1,0,0,0|1,0,1]=3 223 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,1,0,0,0|1,0,1]=3 224 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,1,0,0,0|2,0,1]=4 225 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,1,0,0,0|1,0,1]=3 227 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,1,0,0,0|2,0,1]=4 229 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,1,0,0,0|2,0,1]=4 230 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,1,0,0,0|2,0,1]=4 231 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,1,0,0,0|2,1,0]=4 232 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,1,0,0,0|2,0,0]=3 233 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,1,0,0,0|2,0,0]=3 234 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,1,0,0,0|2,1,0]=4 235 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,1,0,0,0|2,1,0]=4 236 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,1,0,0,0|2,1,0]=4 237 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,0,1,0,0,0|2,0,1]=4 239 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,0,1,0,0,0|1,1,1]=4 241 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,0,1,0,0,0|1,1,1]=4 242 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,0,1,0,0,0|2,0,1]=4 245 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,0,1,0,0,0|2,0,1]=4 246 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 247 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 248 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,0,1,0,0,0|3,0,0]=4 249 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,0,1,0,0,0|1,1,1]=4 251 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,0,1,0,0,0|1,1,1]=4 252 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,1,0|1,0,1]=3 253 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,1,0|1,0,1]=3 254 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,0,1,0|0,1,1]=3 255 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,0,1,0|2,0,1]=4 256 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,0,1,0|2,0,1]=4 257 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 258 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,1,0|2,0,0]=3 259 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,1,0|2,0,0]=3 260 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,1,0|1,0,1]=3 261 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,0,1,0|0,1,1]=3 262 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,0,1,0|2,0,1]=4 263 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,1|1,1,0]=3 265 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,1|1,1,0]=3 266 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,0,0,1|1,1,0]=3 267 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,1|2,0,1]=4 268 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,1|2,0,1]=4 269 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,1|2,0,1]=4 270 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,1|1,1,1]=4 271 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,1|1,1,1]=4 272 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,1|1,1,1]=4 273 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,0,1|2,0,1]=4 274 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,0,1|2,0,1]=4 275 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,0,1|2,0,1]=4 276 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,1|1,1,1]=4 277 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,0,0,1|1,0,1]=3 278 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,0,0,1|2,1,0]=4 279 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,0,0,1|2,1,0]=4 280 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,1|1,1,0]=3 289 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,1|1,1,0]=3 290 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,1|1,1,0]=3 291 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,1|2,0,1]=4 292 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,1|1,1,1]=4 293 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,1|1,1,1]=4 294 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,0,1|2,0,1]=4 295 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,0,1|2,0,1]=4 296 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,1|1,1,1]=4 297 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,0,0,1|1,0,1]=3 298 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,0,0,0,1|1,0,2]=4 299 B9R1.13 CC(=Cc1ncns1)C 271570a_100102525489_100000693119 [0,0,0,0,0,1|2,0,1]=4 300 B9R1.13 CC(=Cc1nncs1)C 271570a_100102525489_100000739804 [0,0,0,0,0,1|2,0,1]=4 301 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,0,0,1|2,0,1]=4 304 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,0,0,1|2,0,1]=4 305 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,0,1|1,1,1]=4 306 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,0,0,1|1,1,1]=4 307 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,0,1|2,0,1]=4 309 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,0,1|2,0,1]=4 310 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,0,1|1,0,2]=4 311 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,0,1|2,0,1]=4 312 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,0,1|2,0,1]=4 313 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,0,1|2,0,1]=4 314 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,0,1|2,0,1]=4 315 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,0,1|0,1,2]=4 316 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,0,1|0,0,2]=3 317 B9R1.13 CC(=O)Cc1nnn[nH]1 1458a_100000070787_100000765167 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,0,0,1|2,0,1]=4 319 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,0,0,1|2,0,1]=4 320 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,0,0,1|2,0,1]=4 321 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,0,0,1|2,0,1]=4 322 B9R1.13 CN(C)CC1=NCCN1 269982a_100102631434_100000737910 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,0,0,1|2,0,0]=3 324 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,0,1|2,0,0]=3 325 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,0,0,1|2,0,1]=4 326 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,0,1|2,0,1]=4 328 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,0,1|1,0,2]=4 329 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,0,1|2,0,1]=4 330 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,1,0,0,0|1,0,1]=4 331 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,1,0,0,0|1,0,1]=4 332 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|1,0,1]=4 333 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|0,1,1]=4 334 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,1,0,0,0|1,0,1]=4 335 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,1,0,0,0|1,0,1]=4 336 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,1,0,0,0|1,0,1]=4 337 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|0,1,1]=4 339 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|0,1,1]=4 340 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,1,0,0,0|1,0,1]=4 343 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|1,0,0]=3 344 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|1,0,0]=3 345 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|1,0,1]=4 346 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|1,0,1]=4 347 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|1,0,1]=4 348 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 349 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 350 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 351 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,1]=4 352 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|1,0,1]=4 353 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|0,1,1]=4 354 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|0,1,1]=4 355 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|0,1,1]=4 356 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|0,0,1]=3 357 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|1,0,1]=4 358 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|1,0,1]=4 359 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|0,0,1]=3 360 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|1,0,1]=4 361 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|1,0,1]=4 362 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,1]=4 365 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,1]=4 366 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,1,0,0,0|1,0,1]=4 367 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,1,0,0,0|1,0,1]=4 368 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|1,0,1]=4 369 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|1,0,1]=4 370 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,1,0,0,0|1,0,0]=3 371 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,1,0,0,0|1,0,0]=3 372 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,1,0,0,0|1,1,0]=4 373 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,1,0,0,0|0,1,1]=4 374 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,1,0,0,0|0,0,1]=3 375 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,1,0,0,0|0,0,1]=3 376 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,1,0,0,0|1,0,1]=4 377 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,1,0,0,0|1,0,1]=4 379 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,1,0,0,0|1,0,1]=4 380 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,1,0,0,0|1,0,1]=4 381 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,1,0,0,0|0,1,1]=4 382 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,1,0,0,0|0,1,1]=4 383 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 384 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 385 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 386 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,1,0,0,0|2,0,0]=4 387 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,1,0,0,0|0,1,1]=4 388 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,1,0,0,0|0,1,1]=4 389 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,1,0,0,0|0,0,2]=4 390 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,1,0,0,0|0,0,2]=4 391 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,1,0,0,0|0,1,1]=4 392 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,1,0,0,0|0,1,1]=4 393 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,1,0,0,0|0,1,1]=4 394 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,1,0,0,0|0,0,1]=3 395 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,1,0,0,0|0,0,1]=3 396 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,1,0,0,0|0,0,1]=3 397 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,1,0,0,0|1,0,1]=4 398 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,1,0,0,0|1,0,1]=4 399 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,1,0,0,0|0,0,1]=3 400 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,1,0,0,0|2,0,0]=4 401 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,1,0,0,0|2,0,0]=4 402 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,1,0,0,0|1,0,1]=4 403 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,1,0,0,0|1,0,1]=4 404 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,1,0,0,0|1,0,1]=4 405 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,1,0,0,0|1,0,1]=4 406 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,1,0,0,0|2,0,0]=4 407 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,1,0,0,0|2,0,0]=4 409 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,1,0,0,0|2,0,0]=4 410 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,1,0,0,0|2,0,0]=4 411 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,1,0,0,0|1,0,1]=4 412 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,1,0,0,0|1,0,1]=4 413 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,1,0,0,0|1,0,1]=4 414 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,1,0,0,0|1,0,1]=4 415 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,1,0,0,0|1,0,1]=4 416 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,1,0,0,0|1,0,1]=4 417 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,1,0,0,0|1,0,1]=4 418 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,1,0,0,0|1,0,1]=4 419 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,1,0,0,0|1,0,1]=4 420 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,1,0,0,0|1,0,1]=4 421 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|1,0,1]=4 422 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|1,0,1]=4 423 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,1,1,0,0,0|2,0,0]=4 424 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,1,0,0,0|1,0,1]=4 425 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,1,0,0,0|1,0,1]=4 426 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,1,0,0,0|1,0,1]=4 427 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,1,0,0,0|1,0,1]=4 428 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,1,0,0,0|1,0,1]=4 429 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,1,0,0,0|1,0,1]=4 430 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,1,0,0,0|1,0,1]=4 431 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,1,0,0,0|1,0,1]=4 432 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [0,1,1,0,0,0|2,0,0]=4 433 B8R0.7 C=C(C)C=NNCCO 4a_100000210001_100000210575 [0,1,1,0,0,0|1,1,0]=4 434 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [0,1,1,0,0,0|2,0,0]=4 435 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [0,1,1,0,0,0|2,0,0]=4 436 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,1,1,0,0,0|2,0,0]=4 437 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [0,1,1,0,0,0|2,0,0]=4 438 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,1,0,0,0|1,0,1]=4 439 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,1,0,0,0|1,0,1]=4 440 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,1,0,0,0|1,0,1]=4 441 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,1,0,0,0|1,0,1]=4 442 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,1,0,0,0|1,0,1]=4 443 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,1,0,0,0|1,0,1]=4 444 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,1,0,0,0|2,0,0]=4 445 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,1,0,0,0|2,0,0]=4 446 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,1,1,0,0,0|1,0,1]=4 447 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,1,1,0,0,0|1,0,1]=4 448 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,1,1,0,0,0|1,0,1]=4 449 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,1,1,0,0,0|1,0,1]=4 450 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,1,0,0,0|2,0,0]=4 451 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,1,0,0,0|2,0,0]=4 452 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,1,0,0,0|2,0,0]=4 453 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,1,0,0,0|2,0,0]=4 454 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,1,0,0,0|2,0,0]=4 455 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,1,0,0,0|2,0,0]=4 456 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,1,0,0,0|2,0,0]=4 457 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,1,0,0,0|1,0,1]=4 458 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,1,0,0,0|1,0,1]=4 459 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,1,1,0,0,0|2,0,0]=4 460 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,1,1,0,0,0|2,0,0]=4 461 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,1,0,0,0|1,0,1]=4 463 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,1,0,0,0|1,0,1]=4 464 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,1,0,0,0|1,0,1]=4 465 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,1,0,0,0|1,0,1]=4 466 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,1,0,0,0|1,0,1]=4 467 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 468 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 469 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 470 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,1,0,0,0|2,0,0]=4 473 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,1,0,0,0|2,0,0]=4 474 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,1,0,0,0|1,0,1]=4 477 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,1,0,0,0|1,0,1]=4 478 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,1,0,0,0|1,0,1]=4 479 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,1,0,0,0|1,0,1]=4 480 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,1,0,0,0|2,0,0]=4 482 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|1,0,1]=4 483 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|1,0,1]=4 484 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,1,0,0,0|1,0,1]=4 485 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,1,0,0,0|1,0,1]=4 486 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,1,0,0,0|2,0,0]=4 487 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,1,0,0,0|2,0,0]=4 489 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,1,0,0,0|2,0,0]=4 492 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,1,0,0,0|1,1,0]=4 494 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,1,0,0,0|0,1,1]=4 495 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,1,0,0,0|0,1,1]=4 496 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,1,0,0,0|0,1,1]=4 497 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,1,0,0,0|0,1,1]=4 498 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,1,0,0,0|0,1,1]=4 499 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,1,0,0,0|0,1,1]=4 500 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,1,0,0,0|0,1,1]=4 501 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,1,0,0,0|0,1,1]=4 502 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,1,0,0,0|0,1,1]=4 503 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,1,0,0,0|0,1,1]=4 504 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,1,0,0,0|1,1,0]=4 505 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,1,0,0,0|1,1,0]=4 506 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,1,0,0,0|1,1,0]=4 507 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,1,0,0,0|1,0,1]=4 508 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,1,0,0,0|1,0,1]=4 509 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,1,0,0,0|1,0,1]=4 510 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,1,0,0,0|1,0,1]=4 511 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,1,0,0,0|1,0,1]=4 512 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,1,0,0,0|1,0,1]=4 513 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,1,0,0,0|1,0,1]=4 514 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,1,0,0,0|1,0,1]=4 515 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,1,0,0,0|1,0,1]=4 516 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,1,0,0,0|1,0,1]=4 517 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|1,0,1]=4 518 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|1,0,1]=4 519 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,1,0,0,0|1,0,1]=4 520 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,1,0,0,0|1,0,1]=4 521 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,1,1,0,0,0|2,0,0]=4 522 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,1,1,0,0,0|2,0,0]=4 523 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,1,1,0,0,0|2,0,0]=4 524 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,1,0,0,0|1,0,1]=4 525 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,1,0,0,0|1,0,1]=4 526 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,1,0,0,0|0,1,1]=4 527 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,1,0,0,0|1,0,1]=4 528 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,1,0,0,0|1,0,1]=4 529 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,1,0,0,0|0,1,1]=4 530 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,1,1,0,0,0|1,0,1]=4 531 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,1,1,0,0,0|1,0,1]=4 533 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,1,1,0,0,0|1,0,1]=4 534 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,1,1,0,0,0|1,0,1]=4 535 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,1,1,0,0,0|1,0,1]=4 536 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,1,1,0,0,0|1,0,1]=4 537 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,1,1,0,0,0|1,0,1]=4 538 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,1,1,0,0,0|1,0,1]=4 539 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,1,1,0,0,0|1,0,1]=4 540 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,1,1,0,0,0|1,0,1]=4 541 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,1,1,0,0,0|1,0,1]=4 542 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,1,0,0,0,0|0,0,2]=4 543 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,1,0,0,0,0|0,0,2]=4 544 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,1,0,0,0,0|0,0,2]=4 545 B8R1.8 CC=Cc1ncns1 271570a_100016259895_100000693119 [1,1,0,0,0,0|1,0,1]=4 546 B8R1.8 CC=Cc1nncs1 271570a_100016259895_100000739804 [1,1,0,0,0,0|1,0,1]=4 547 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [1,1,0,0,0,0|1,0,1]=4 548 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [1,1,0,0,0,0|1,0,1]=4 549 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [1,1,0,0,0,0|1,0,1]=4 550 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [1,1,0,0,0,0|1,0,1]=4 551 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [1,1,0,0,0,0|1,0,1]=4 552 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [1,1,0,0,0,0|1,0,1]=4 553 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [1,1,0,0,0,0|1,0,1]=4 554 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,0,1,0|1,0,1]=4 555 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,0,1,0|1,0,1]=4 556 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 557 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,0,1,0|2,0,0]=4 558 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,0,1,0|2,0,0]=4 559 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 560 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,0,1,0|2,0,0]=4 561 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,0,1,0|2,0,0]=4 562 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 563 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,0,1,0|2,0,0]=4 564 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,0,1,0|2,0,0]=4 565 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,0,1,0|1,0,1]=4 566 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,0,1,0|1,0,1]=4 567 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,0,1,0|1,0,1]=4 568 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,0,1,0|1,0,1]=4 569 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,0,1,0|1,0,1]=4 570 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 571 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,0,1,0|2,0,0]=4 572 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,0,1,0|2,0,0]=4 573 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,0,1,0|1,0,1]=4 574 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,0,1,0|1,0,1]=4 575 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,0,1,0|0,1,1]=4 576 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 577 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 578 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,0,1,0|2,0,0]=4 579 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,0,1,0|1,0,1]=4 580 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,0,1,0|1,0,1]=4 581 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,0,1,0|1,0,1]=4 582 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,0,1,0|1,0,1]=4 583 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,0,1,0|0,1,1]=4 584 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,0,1,0|0,1,1]=4 585 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,0,1,0|0,1,1]=4 586 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,0,1,0|0,1,1]=4 587 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 588 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,0,1,0|2,0,0]=4 589 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,0,1,0|1,0,1]=4 590 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,0,1,0|0,1,1]=4 591 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,0,1,0|1,0,1]=4 592 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,0,1,0|2,0,0]=4 593 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,0,1,0|2,0,0]=4 594 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,0,1,0|1,0,1]=4 595 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,0,1,0|1,0,1]=4 596 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,0,1,0|1,0,1]=4 597 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,0,1,0|1,0,1]=4 598 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,1,0,0,0,1|1,0,1]=4 599 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,1,0,0,0,1|1,0,1]=4 600 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,0,0,1|1,1,0]=4 602 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,0,0,1|1,1,0]=4 603 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [0,1,0,0,0,1|1,1,0]=4 604 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,1,0,0,0,1|1,0,1]=4 605 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,1,0,0,0,1|1,1,0]=4 610 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,1,0,0,0,1|1,1,0]=4 611 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,1,0,0,0,1|1,1,0]=4 612 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,1,0,0,0,1|1,1,0]=4 613 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,0,0,1|1,1,0]=4 614 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,0,0,1|1,1,0]=4 615 B10R1.15 CNC(=O)C1=COCCO1 11a_106832991635_100000008702 [0,1,0,0,0,1|1,1,0]=4 616 B10R1.15 CNC(=O)C1=COCCO1 1626a_100102657272_100000008702 [0,1,0,0,0,1|1,1,0]=4 617 B10R1.15 CNC(=O)C1=COCCO1 240690a_100102657272_100000008702 [0,1,0,0,0,1|1,1,0]=4 618 B10R1.15 CNC(=O)C1=COCCO1 527a_100102657272_100000008702 [0,1,0,0,0,1|1,1,0]=4 619 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,1,0,0,0,1|1,0,1]=4 620 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,1,0,0,0,1|1,0,1]=4 621 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,1,0,0,0,1|1,0,1]=4 622 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,1,0,0,0,1|1,0,1]=4 623 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,1,0,0,0,1|1,1,0]=4 625 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,0,0,1|1,1,0]=4 626 B10R1.15 O=C(CF)C1=COCCO1 1458a_100000008702_100015361967 [0,1,0,0,0,1|1,1,0]=4 627 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,1,0,0,0,1|1,0,1]=4 628 B10R1.61 CC(=O)C1=C(OCCO1)C 1458a_100000068647_200000210301 [0,1,0,0,0,1|1,1,0]=4 629 B10R1.61 CC1=C(OCCO1)C(=O)[13CH3] 1458a_100000068647_200025704644 [0,1,0,0,0,1|1,1,0]=4 630 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,1,0,0,0,1|0,0,2]=4 633 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,0,1|0,0,2]=4 644 B10R1.54 CC(=O)Cc1nnc(s1)C 1458a_100000070787_100000688753 [0,1,0,0,0,1|1,0,1]=4 645 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [0,1,0,0,0,1|0,0,2]=4 646 B10R1.54 CC(=O)Nc1nnc(s1)O 271570a_203496583355_200010004617 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.11 C#CCC(=O)C1=CCCC1 1458a_100000038896_100000184674 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.11 C#CCC(=O)C1CCCS1 1458a_100012002731_100000184674 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [0,2,0,0,0,0|1,0,1]=4 651 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,2,0,0,0,0|1,0,1]=4 653 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,2,0,0,0,0|1,0,1]=4 656 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,2,0,0,0,0|1,0,1]=4 657 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,2,0,0,0,0|1,0,1]=4 658 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,2,0,0,0,0|0,0,2]=4 659 B10R1.11 CNNC(=O)C1=CCCC1 22a_100016993582_100000038896 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,2,0,0,0,0|1,0,1]=4 661 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,2,0,0,0,0|0,0,2]=4 662 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,2,0,0,0,0|0,0,2]=4 663 B10R1.11 N#CCC(=O)C1=CCCC1 1458a_100000038896_100011214920 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.11 N#CCC(=O)C1CCCS1 1458a_100012002731_100011214920 [0,2,0,0,0,0|1,0,1]=4 665 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,2,0,0,0,0|1,0,1]=4 669 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,2,0,0,0,0|0,0,2]=4 670 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,2,0,0,0,0|0,0,2]=4 671 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,2,0,0,0,0|0,0,2]=4 672 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,2,0,0,0,0|0,0,2]=4 673 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,2,0,0,0,0|0,0,2]=4 674 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,2,0,0,0,0|0,0,2]=4 675 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,2,0,0,0,0|0,0,2]=4 676 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,2,0,0,0,0|0,0,2]=4 677 B10R1.31 C=Cc1cnc(s1)C(=O)C 271570a_100011290941_100000693680 [0,2,0,0,0,0|0,0,2]=4 678 B10R1.31 C=Cc1csc(n1)C(=O)C 271570a_100011290941_100010231720 [0,2,0,0,0,0|0,0,2]=4 679 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,2,0,0,0,0|0,0,2]=4 680 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,2,0,0,0,0|0,0,2]=4 681 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,2,0,0,0,0|0,0,2]=4 682 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,2,0,0,0,0|0,0,2]=4 683 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,2,0,0,0,0|0,0,2]=4 684 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,2,0,0,0,0|0,0,2]=4 685 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,2,0,0,0,0|0,0,2]=4 686 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,2,0,0,0,0|0,0,2]=4 687 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,1,1,0,0|2,0,0]=4 688 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,1,1,0,0|2,0,0]=4 689 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,1,1,0,0|2,0,0]=4 690 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,1,1,0,0|2,0,0]=4 691 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,1,1,0,0|1,0,1]=4 692 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,1,1,0,0|1,0,1]=4 693 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,0,1,1,0,0|1,0,1]=4 694 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,0,1,1,0,0|1,0,1]=4 695 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,0,1,1,0,0|1,0,1]=4 696 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,0,1,1,0,0|1,0,1]=4 697 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,0,2,0|0,0,1]=3 698 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,0,2,0|0,1,1]=4 699 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,0,2,0|0,0,1]=3 700 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,0,2,0|0,1,1]=4 701 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,0,0,2|2,0,0]=4 702 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,0,0,0,0,2|2,0,0]=4 703 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,0,0,2|2,0,0]=4 704 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,0,0,2|2,0,0]=4 705 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,0,0,0,0,2|2,0,0]=4 706 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,0,0,2|2,0,0]=4 707 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,0,0,2|2,0,0]=4 708 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,2|0,0,2]=4 709 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,2|0,0,2]=4 710 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,0,0,0,0,2|1,0,0]=3 711 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,2|0,0,2]=4 712 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,2|0,0,2]=4 713 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,2|0,0,2]=4 714 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,2|0,0,2]=4 715 B10R1.66 CC(=O)NN=C1CCCC1 4a_100000189765_100000210133 [0,0,0,0,0,2|2,0,0]=4 716 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,0,2|0,0,2]=4 717 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,0,0,2|2,0,0]=4 718 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,2|0,0,2]=4 719 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,2|0,0,2]=4 720 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,0,0,0,0,2|1,0,0]=3