0 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,0,0,0,0|2,1,1]=4 23 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,0,0,0,0|2,1,1]=4 24 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,0,0,0,0|1,1,1]=3 26 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,0,0,0,0|1,1,1]=3 27 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,0,0|1,2,1]=4 28 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,0,0|1,2,1]=4 30 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,0,0,0,0|1,1,1]=3 31 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,0,0,0,0|1,1,1]=3 32 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,0,0,0,0,0|2,1,0]=4 41 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,0,0,0,0,0|1,1,1]=4 57 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|1,1,0]=3 63 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,0,0,0,0,0|2,1,0]=4 68 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,0,0|2,1,0]=4 72 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|2,1,0]=4 75 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|2,1,0]=4 76 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|1,1,1]=4 85 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|1,1,1]=4 86 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|1,1,1]=4 87 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|0,1,1]=3 94 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|0,2,1]=4 95 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [1,0,0,0,0,0|1,1,1]=4 96 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,0,0|1,1,1]=4 97 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,0,0|1,1,1]=4 98 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [1,0,0,0,0,0|1,1,1]=4 107 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [1,0,0,0,0,0|1,1,1]=4 108 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,0,0|1,0,1]=3 113 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,0,0|1,0,1]=3 114 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,0,0|1,1,1]=4 115 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,0,0|1,1,1]=4 116 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|1,0,1]=3 119 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|1,0,1]=3 120 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|1,1,1]=4 121 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|0,1,1]=3 123 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|0,2,1]=4 124 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [1,0,0,0,0,0|1,1,1]=4 125 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,0,0|1,1,1]=4 126 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,0,0|2,0,1]=4 133 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [1,0,0,0,0,0|1,1,1]=4 135 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [1,0,0,0,0,0|1,1,1]=4 136 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,0,0|1,0,1]=3 141 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,0,0|1,0,1]=3 142 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,0,0|1,1,1]=4 143 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,0,0|1,1,1]=4 144 B10R1.6 CNS(=O)(=O)c1ccco1 270084a_100102657272_200000702926 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.6 CNS(=O)(=O)c1ccco1 274078a_100102657272_200000702926 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.6 CNS(=O)(=O)c1cccs1 270084a_100102657272_100000205146 [0,1,0,0,0,0|2,1,0]=4 147 B10R1.6 CNS(=O)(=O)c1cccs1 274078a_100102657272_100000205146 [0,1,0,0,0,0|2,1,0]=4 148 B10R1.6 CNS(=O)(=O)c1cccs1 40a_100102657272_200000102146 [0,1,0,0,0,0|2,1,0]=4 149 B10R1.9 CCC(NC)c1ccco1 2230a_100015202707_200000210301 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.9 CCC(NC)c1ccco1 269862a_106832991636_100000749595 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.9 CCC(N[13CH3])c1ccco1 2230a_100015202707_200025704644 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [0,1,0,0,0,0|1,1,1]=4 153 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [0,1,0,0,0,0|1,1,1]=4 154 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,1,0,0,0,0|1,1,1]=4 156 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,1,0,0,0,0|1,1,1]=4 157 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,0,0|1,1,0]=3 160 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,0,0|1,1,0]=3 161 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,0,0|2,1,0]=4 165 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,0,0|1,0,2]=4 168 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,1,0,0,0,0|2,1,0]=4 169 B10R1.11 CSCC(=O)N1CC=CC1 1626a_100015195280_100000184570 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.11 CSCC(=O)N1CC=CC1 240690a_100015195280_100000184570 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,0,0|0,0,0]=1 174 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,0,0|0,0,0]=1 175 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,0,0|0,1,0]=2 176 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,0,0|0,1,0]=2 177 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,1,0,0,0,0|1,1,0]=3 180 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,1,0,0,0,0|1,1,0]=3 181 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,1,0,0,0,0|1,1,1]=4 184 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,1,0,0,0,0|1,1,1]=4 185 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,0,0|0,0,0]=1 189 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,0,0|0,0,0]=1 190 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,0,0|0,1,0]=2 191 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,0,0|0,1,0]=2 192 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,1,0,0,0,0|1,1,0]=3 195 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,1,0,0,0,0|1,1,0]=3 196 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,0,0|1,1,0]=3 199 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,0,0|1,1,0]=3 201 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,0,0|2,1,0]=4 204 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,0,0|2,1,0]=4 205 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,0,0|0,1,0]=2 206 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,0,0|0,2,0]=3 207 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,0,0|1,1,0]=3 208 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,0,0|0,1,0]=2 209 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,0,0|0,2,0]=3 210 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,0,0|2,1,0]=4 211 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,0,0|1,2,0]=4 212 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,0,0|2,1,0]=4 213 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,0,0|2,1,0]=4 214 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,0,0|2,1,0]=4 215 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,0,0|1,2,0]=4 216 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,0,0|1,2,0]=4 217 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,0,0|2,1,0]=4 219 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,0,0|2,1,0]=4 221 B10R1.23 CC(=C(C)c1cnco1)C 271570a_200000049429_100020591547 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.23 CC(=C(C)c1ncco1)C 271570a_200000049429_100011787736 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,0,0|1,1,0]=3 228 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,1,0,0,0,0|2,1,0]=4 230 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,0,0|2,1,0]=4 231 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,0,0|2,1,0]=4 232 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,0,0|2,1,0]=4 233 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,0,0|2,1,0]=4 234 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,0,0|0,1,0]=2 235 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,0,0|0,2,0]=3 236 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,0,0|1,2,0]=4 237 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,0,1,0,0,0|1,0,2]=4 238 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,0,1,0,0,0|2,0,0]=3 239 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,0,1,0,0,0|3,0,0]=4 240 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,0,1,0,0,0|2,0,0]=3 241 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,0,1,0,0,0|2,0,0]=3 242 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,0,1,0,0,0|2,0,0]=3 243 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,0,1,0,0,0|1,0,2]=4 244 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,0,1,0,0,0|1,0,2]=4 245 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,0,1,0,0,0|1,0,2]=4 246 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,0,1,0,0,0|0,1,2]=4 247 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,1|2,0,1]=4 248 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,1|2,0,1]=4 249 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,0,0,0,0,1|2,0,1]=4 251 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,0,0,0,0,1|1,0,2]=4 252 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [0,0,0,0,0,1|1,0,2]=4 253 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,0,0,0,0,1|1,0,2]=4 255 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,0,0,0,0,1|1,0,2]=4 256 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,0,0,0,0,1|1,0,2]=4 257 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,0,0,0,0,1|1,0,2]=4 258 B10R1.15 CNC(=O)C1=COCCO1 11a_106832991635_100000008702 [0,0,0,0,0,1|1,0,2]=4 259 B10R1.15 CNC(=O)C1=COCCO1 1626a_100102657272_100000008702 [0,0,0,0,0,1|1,0,2]=4 260 B10R1.15 CNC(=O)C1=COCCO1 240690a_100102657272_100000008702 [0,0,0,0,0,1|1,0,2]=4 261 B10R1.15 CNC(=O)C1=COCCO1 527a_100102657272_100000008702 [0,0,0,0,0,1|1,0,2]=4 262 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,1|2,0,0]=3 263 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,1|2,0,0]=3 265 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,1|2,0,1]=4 267 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,1|2,0,1]=4 268 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,0,0,0,0,1|2,0,1]=4 269 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,0,0,0,0,1|2,0,1]=4 270 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.27 C#CC(=O)Cc1ncco1 1458a_100000211873_103436540062 [0,0,0,0,0,1|2,0,1]=4 272 B10R1.27 C=CC(=O)Cc1ncco1 1458a_100000185746_103436540062 [0,0,0,0,0,1|2,0,1]=4 273 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,0,0,0,0,1|1,1,1]=4 274 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,0,0,0,0,1|1,1,1]=4 275 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,0,0,0,0,1|1,0,0]=2 279 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,0,0,0,0,1|1,1,0]=3 280 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,0,0,0,0,1|2,1,0]=4 287 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,0,0,0,0,1|2,0,0]=3 290 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,0,0,0,0,1|2,1,0]=4 291 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,0,0,0,0,1|2,0,1]=4 294 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,0,0,0,0,1|2,0,1]=4 295 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,0,0,0,0,1|2,0,0]=3 304 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,0,0,0,0,1|2,0,0]=3 305 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,0,0,0,0,1|1,0,0]=2 306 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,0,0,0,0,1|1,0,0]=2 307 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,0,0,0,0,1|1,1,0]=3 308 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,0,0,0,0,1|1,1,0]=3 309 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,0,0,0,0,1|1,1,0]=3 310 B10R1.27 CNC(=O)Cc1ccn[nH]1 11a_106832991635_100000752941 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.27 CNC(=O)Cc1ccn[nH]1 1626a_100102657272_100000752941 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.27 CNC(=O)Cc1ccn[nH]1 240690a_100102657272_100000752941 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.27 CNC(=O)Cc1ccn[nH]1 527a_100102657272_100000752941 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,0,0,0,0,1|3,0,0]=4 323 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,0,0,0,0,1|3,0,0]=4 325 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,0,0,0,0,1|3,0,0]=4 326 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,0,0,0,0,1|3,0,0]=4 327 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,0,0,0,0,1|3,0,0]=4 328 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,0,0,0,0,1|3,0,0]=4 329 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,0,0,0,0,1|3,0,0]=4 330 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,0,0,0,0,1|3,0,0]=4 331 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,0,0,0,0,1|3,0,0]=4 332 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,0,0,0,0,1|3,0,0]=4 333 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,0,0,0,0,1|2,0,1]=4 334 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,0,0,0,0,1|1,1,1]=4 335 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,0,0,0,0,1|1,1,1]=4 336 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,0,0,0,0,1|1,1,1]=4 337 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,0,0,0,0,1|1,1,1]=4 338 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,0,0,0,0,1|2,1,0]=4 341 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,0,0,0,0,1|3,0,0]=4 342 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,1,0,0,0|1,0,0]=3 343 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,0,1,0,0,0|2,0,0]=4 344 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,1,0,0,0|1,0,0]=3 345 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,1,0,0,0|1,0,1]=4 346 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,1,0,0,0|1,0,1]=4 347 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,1,0,0,0|1,0,1]=4 348 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,1,0,0,0|1,0,1]=4 349 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|1,0,0]=3 350 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|1,0,0]=3 351 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,1,0,0,0|0,0,2]=4 352 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|0,0,1]=3 353 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|0,1,1]=4 354 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|0,0,0]=2 361 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|0,0,0]=2 362 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|0,1,0]=3 363 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|0,1,0]=3 364 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [2,0,0,0,0,0|2,0,0]=4 370 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [2,0,0,0,0,0|1,0,0]=3 373 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [2,0,0,0,0,0|1,0,0]=3 374 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [2,0,0,0,0,0|1,1,0]=4 375 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [2,0,0,0,0,0|1,1,0]=4 376 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [2,0,0,0,0,0|2,0,0]=4 378 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [2,0,0,0,0,0|2,0,0]=4 379 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|1,0,0]=3 381 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|1,0,0]=3 382 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [2,0,0,0,0,0|1,1,0]=4 383 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [2,0,0,0,0,0|1,1,0]=4 384 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [2,0,0,0,0,0|2,0,0]=4 385 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [2,0,0,0,0,0|2,0,0]=4 386 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [2,0,0,0,0,0|2,0,0]=4 387 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [2,0,0,0,0,0|2,0,0]=4 388 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|0,0,0]=2 389 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|0,0,0]=2 390 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|0,1,0]=3 391 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|0,1,0]=3 392 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [2,0,0,0,0,0|2,0,0]=4 393 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [2,0,0,0,0,0|2,0,0]=4 394 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [2,0,0,0,0,0|2,0,0]=4 395 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [2,0,0,0,0,0|2,0,0]=4 397 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [2,0,0,0,0,0|2,0,0]=4 398 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [2,0,0,0,0,0|2,0,0]=4 399 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [2,0,0,0,0,0|2,0,0]=4 400 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [2,0,0,0,0,0|1,0,0]=3 401 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [2,0,0,0,0,0|1,0,0]=3 402 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [2,0,0,0,0,0|1,1,0]=4 403 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [2,0,0,0,0,0|1,1,0]=4 404 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [2,0,0,0,0,0|2,0,0]=4 405 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [2,0,0,0,0,0|2,0,0]=4 406 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [2,0,0,0,0,0|2,0,0]=4 408 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|1,0,0]=3 409 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|1,0,0]=3 410 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [2,0,0,0,0,0|1,1,0]=4 411 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [2,0,0,0,0,0|1,1,0]=4 412 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,1,0,0,0|2,0,0]=4 413 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,1,1,0,0,0|2,0,0]=4 414 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,1,1,0,0,0|2,0,0]=4 415 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,1,1,0,0,0|2,0,0]=4 416 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,1,1,0,0,0|2,0,0]=4 418 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,1,1,0,0,0|2,0,0]=4 420 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,1,1,0,0,0|2,0,0]=4 421 B9R0.47 C/C=C/C=CC(=O)N(C)C 11a_100102631434_100000185730 [0,1,1,0,0,0|2,0,0]=4 422 B9R0.47 C/C=C/C=CC(=O)N(C)C 1626a_100102631434_100000185730 [0,1,1,0,0,0|2,0,0]=4 423 B9R0.47 C/C=C/C=CC(=O)N(C)C 240690a_100102631434_100000185730 [0,1,1,0,0,0|2,0,0]=4 424 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,1,0,0,0,0|1,1,0]=4 425 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [1,1,0,0,0,0|1,1,0]=4 426 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,1,0,0,0,0|1,1,0]=4 427 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,1,0,0,0,0|0,1,0]=3 428 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,1,0,0,0,0|0,0,0]=2 430 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,1,0,0,0,0|0,1,0]=3 431 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [1,1,0,0,0,0|1,1,0]=4 432 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [1,1,0,0,0,0|1,1,0]=4 434 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,1,0,0,0,0|1,1,0]=4 435 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,1,0,0,0,0|1,1,0]=4 439 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,1,0,0,0,0|1,1,0]=4 440 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [1,1,0,0,0,0|1,1,0]=4 441 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,1,0,0,0,0|1,1,0]=4 442 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,1,0,0,0,0|0,1,0]=3 443 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,1,0,0,0,0|1,1,0]=4 444 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,1,0,0,0,0|1,1,0]=4 445 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [1,1,0,0,0,0|1,1,0]=4 446 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,1,0,0,0,0|1,1,0]=4 447 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [1,1,0,0,0,0|1,0,1]=4 451 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,1,0,0,0,0|1,0,1]=4 454 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [1,1,0,0,0,0|1,0,1]=4 455 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [1,1,0,0,0,0|0,1,1]=4 459 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [1,1,0,0,0,0|0,1,1]=4 460 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,1,0,0,0,0|0,1,1]=4 461 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,1,0,0,0,0|0,1,1]=4 462 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [1,1,0,0,0,0|0,1,1]=4 463 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [1,1,0,0,0,0|0,1,1]=4 464 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [1,1,0,0,0,0|1,0,1]=4 465 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [1,1,0,0,0,0|1,0,1]=4 467 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [1,1,0,0,0,0|0,1,1]=4 469 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [1,1,0,0,0,0|0,1,1]=4 470 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [1,1,0,0,0,0|0,1,1]=4 471 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [1,1,0,0,0,0|0,1,1]=4 472 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,1,0,0,0,0|0,1,1]=4 476 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,1,0,0,0,0|0,1,1]=4 477 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [1,1,0,0,0,0|0,1,1]=4 479 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [1,1,0,0,0,0|0,1,1]=4 480 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [1,1,0,0,0,0|0,1,1]=4 481 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [1,1,0,0,0,0|0,1,1]=4 482 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [1,1,0,0,0,0|0,1,1]=4 485 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [1,1,0,0,0,0|0,1,1]=4 486 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [1,1,0,0,0,0|0,1,1]=4 487 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [1,1,0,0,0,0|0,1,1]=4 488 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,1,0,0,0,0|1,0,1]=4 491 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,1,0,0,0,0|1,0,1]=4 492 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,1,0,0,0,0|0,1,1]=4 496 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,1,0,0,0,0|1,0,1]=4 499 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,1,0,0,0,0|1,0,1]=4 500 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,1,0,0,0,0|0,1,1]=4 501 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,1,0,0,0,0|0,1,1]=4 502 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,1,0,0,0,0|0,1,1]=4 503 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,1,0,0,0,0|0,1,1]=4 504 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,1,0,0,0,0|0,0,1]=3 505 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,1,0,0,0,0|0,0,1]=3 506 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,1,0,0,0,0|0,1,1]=4 507 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,1,0,0,0,0|0,1,1]=4 508 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [1,1,0,0,0,0|0,1,1]=4 516 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,1,0,0,0,0|1,0,1]=4 522 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,1,0,0,0,0|0,1,1]=4 523 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,1,0,0,0,0|0,1,1]=4 524 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,1,0,0,0,0|1,1,0]=4 526 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,1,0,0,0,0|1,0,1]=4 529 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,1,0,0,0,0|1,0,1]=4 536 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [1,1,0,0,0,0|1,1,0]=4 538 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,1,0,0,0,0|1,1,0]=4 539 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [1,1,0,0,0,0|0,1,1]=4 543 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [1,1,0,0,0,0|0,1,1]=4 544 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [1,1,0,0,0,0|0,1,1]=4 545 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [1,1,0,0,0,0|0,1,1]=4 546 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,1|1,1,0]=4 556 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,1,0,0,0,1|1,0,0]=3 564 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,1,0,0,0,1|1,0,0]=3 565 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,1|1,0,0]=3 570 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,1|1,0,0]=3 573 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,1,0,0,0,1|1,0,0]=3 576 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,1,0,0,0,1|1,0,0]=3 578 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,1|1,1,0]=4 616 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,1|1,1,0]=4 617 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,1|1,1,0]=4 618 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,1|1,1,0]=4 619 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,1|1,1,0]=4 620 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,1|1,1,0]=4 621 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,1|1,1,0]=4 658 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,1|1,1,0]=4 659 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,1|1,1,0]=4 660 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,1|1,1,0]=4 661 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,1|1,1,0]=4 662 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,1|1,1,0]=4 663 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,1|1,1,0]=4 664 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,1|1,1,0]=4 665 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 687 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 702 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,1|1,1,0]=4 704 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,1|1,1,0]=4 705 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,1|1,1,0]=4 706 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,1|1,1,0]=4 707 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,1|1,1,0]=4 708 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,1|1,1,0]=4 709 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,1|1,1,0]=4 710 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,1,0,0,0,1|1,0,1]=4 711 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,1,0,0,0,1|1,0,1]=4 712 B11R1.30 CC#CC(=O)Cc1ncco1 1458a_100000763181_103436540062 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.30 CC=CC(=O)Cc1ncco1 1458a_100000210699_103436540062 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,1,0,0,0,1|1,0,0]=3 716 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,1,0,0,0,1|1,1,0]=4 717 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,1,0,0,0,1|1,0,0]=3 722 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,1,0,0,0,1|1,0,0]=3 723 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,1,0,0,0,1|1,1,0]=4 724 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,1,0,0,0,1|1,1,0]=4 725 B11R1.30 CNNC(=O)Cc1ccc[nH]1 22a_100016993582_100000238377 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,1,0,0,0,1|1,0,0]=3 727 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [0,1,0,0,0,1|1,1,0]=4 728 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,1,0,0,0,1|1,1,0]=4 729 B11R1.30 CSCC(=O)Cc1c[nH]cn1 1458a_100000184570_100000707719 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.30 CSCC(=O)Cc1ccn[nH]1 1458a_100000184570_100000728653 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.30 CSCC(=O)Cc1ccon1 1458a_100000184570_100000234950 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.30 CSCC(=O)Cc1ccsc1 1458a_100000184570_100011233845 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.30 CSCC(=O)Cc1cncs1 1458a_100000184570_100015185245 [0,1,0,0,0,1|1,1,0]=4 734 B11R1.30 CSCC(=O)Cc1cscn1 1458a_100000184570_100000205941 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,1,0,0,0,1|1,0,0]=3 736 B11R1.30 CSCC(=O)Cc1nccs1 1458a_100000184570_100015184050 [0,1,0,0,0,1|1,1,0]=4 737 B11R1.30 CSCC(=O)Nc1ccon1 62a_100000239699_200000210301 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.30 CSCC(=O)Nc1ccon1 62a_200000210301_100000239699 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.30 CSCC(=O)Nc1nccs1 62a_100000183294_200000210301 [0,1,0,0,0,1|1,1,0]=4 740 B11R1.30 CSCC(=O)Nc1nccs1 62a_200000210301_100000183294 [0,1,0,0,0,1|1,1,0]=4 741 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,1,0,0,0,1|1,0,1]=4 744 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,1,0,0,0,1|1,0,0]=3 746 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,1,0,0,0,1|1,1,0]=4 747 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,1,0,0,0,1|1,0,0]=3 749 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,1,0,0,0,1|1,1,0]=4 750 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_100000239699_200025704644 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_200025704644_100000239699 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_100000183294_200025704644 [0,1,0,0,0,1|1,1,0]=4 754 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_200025704644_100000183294 [0,1,0,0,0,1|1,1,0]=4 755 B11R1.35 C=C(C)C(=O)Cc1ncco1 1458a_100000185857_103436540062 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,1|1,0,0]=3 760 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [0,1,0,0,0,1|1,1,0]=4 761 B11R1.35 CC(C)C(=O)Cc1ncco1 1458a_100000210198_103436540062 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.35 CC(F)C(=O)Cc1ncco1 1458a_100000062450_103436540062 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 11a_100102631434_100000238377 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 240690a_100102631434_100000238377 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 527a_100102631434_100000238377 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,0,1|1,0,0]=3 767 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,0,1|1,0,0]=3 768 B11R1.35 CN(C)C(=O)Cc1cccs1 11a_100102631434_100000210189 [0,1,0,0,0,1|1,1,0]=4 769 B11R1.35 CN(C)C(=O)Cc1cccs1 1626a_100102631434_100000210189 [0,1,0,0,0,1|1,1,0]=4 770 B11R1.35 CN(C)C(=O)Cc1cccs1 240690a_100102631434_100000210189 [0,1,0,0,0,1|1,1,0]=4 771 B11R1.35 C[C@@H](O)C(=O)Cc1ncco1 1458a_100000717761_103436540062 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.35 C[C@H](O)C(=O)Cc1ncco1 1458a_217856618621_103436540062 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100000210414_100000746031 [0,1,0,0,0,1|1,1,0]=4 774 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210202 [0,1,0,0,0,1|1,1,0]=4 775 B11R1.39 CCC(=O)Cc1cc(no1)Br 1458a_100000210414_100000709089 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210202 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000210414_100000707947 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,1,0,0,0,1|1,1,0]=4 779 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,1,0,0,0,1|1,1,0]=4 780 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,1,0,0,0,1|1,1,0]=4 781 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,1,0,0,0,1|1,1,0]=4 782 B11R1.39 CNC(=O)Cc1cc(cs1)Br 11a_106832991635_100011542370 [0,1,0,0,0,1|1,1,0]=4 783 B11R1.39 CNC(=O)Cc1cc(cs1)Br 1626a_100102657272_100011542370 [0,1,0,0,0,1|1,1,0]=4 784 B11R1.39 CNC(=O)Cc1cc(cs1)Br 240690a_100102657272_100011542370 [0,1,0,0,0,1|1,1,0]=4 785 B11R1.39 CNC(=O)Cc1cc(no1)C 11a_106832991635_100000037866 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.39 CNC(=O)Cc1cc(no1)C 1626a_100102657272_100000037866 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.39 CNC(=O)Cc1cc(no1)C 240690a_100102657272_100000037866 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.39 CNC(=O)Cc1ccc(s1)Br 11a_106832991635_100000238643 [0,1,0,0,0,1|1,1,0]=4 789 B11R1.39 CNC(=O)Cc1ccc(s1)Br 1626a_100102657272_100000238643 [0,1,0,0,0,1|1,1,0]=4 790 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 11a_106832991635_100000238644 [0,1,0,0,0,1|1,1,0]=4 791 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 1626a_100102657272_100000238644 [0,1,0,0,0,1|1,1,0]=4 792 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 240690a_100102657272_100000238644 [0,1,0,0,0,1|1,1,0]=4 793 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,1,0,0,0,1|0,2,0]=4 794 B11R1.33 CCNS(=O)(=O)c1ccco1 270084a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.33 CCNS(=O)(=O)c1ccco1 274078a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.173 CN(C)S(=O)(=O)c1ccco1 270084a_100102631434_200000702926 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.173 CN(C)S(=O)(=O)c1ccco1 274078a_100102631434_200000702926 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,2,0,0,0,0|1,1,0]=4 799 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [0,2,0,0,0,0|0,2,0]=4 800 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,2,0,0,0,0|1,1,0]=4 801 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,2,0,0,0,0|0,1,0]=3 802 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,2,0,0,0,0|0,2,0]=4 803 B11R1.15 CCOC(=O)c1cnc(o1)O 271570a_203496583355_100010205802 [0,2,0,0,0,0|1,1,0]=4 804 B11R1.15 CNCC(=O)c1ccc(s1)Br 2230a_106832991635_100000185163 [0,2,0,0,0,0|1,1,0]=4 805 B11R1.15 CNCC(=O)c1ccc(s1)Br 7a_106832991635_100000185163 [0,2,0,0,0,0|1,1,0]=4 806 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [0,2,0,0,0,0|1,1,0]=4 807 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [0,2,0,0,0,0|1,1,0]=4 808 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [0,2,0,0,0,0|1,1,0]=4 809 B11R1.15 CNCC(=O)c1ccc(s1)Cl 2230a_106832991635_100000185135 [0,2,0,0,0,0|1,1,0]=4 810 B11R1.15 CNCC(=O)c1ccc(s1)Cl 7a_106832991635_100000185135 [0,2,0,0,0,0|1,1,0]=4 811 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [0,2,0,0,0,0|0,2,0]=4 812 B11R1.15 CSCC(=O)c1ccc(s1)Br 62a_100000185163_200000210301 [0,2,0,0,0,0|0,1,0]=3 813 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [0,2,0,0,0,0|0,1,0]=3 814 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [0,2,0,0,0,0|0,1,0]=3 815 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_100000185135_200000210301 [0,2,0,0,0,0|0,1,0]=3 816 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_200000210301_100000185135 [0,2,0,0,0,0|0,1,0]=3 817 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [0,2,0,0,0,0|0,1,0]=3 818 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [0,2,0,0,0,0|0,1,0]=3 819 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Br 62a_100000185163_200025704644 [0,2,0,0,0,0|0,1,0]=3 820 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_100000185135_200025704644 [0,2,0,0,0,0|0,1,0]=3 821 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_200025704644_100000185135 [0,2,0,0,0,0|0,1,0]=3 822 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [0,2,0,0,0,0|1,1,0]=4 825 B11R1.29 CC=NNC(=O)c1cnco1 4a_100000081316_200000210099 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,2,0,0,0,0|1,1,0]=4 827 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,2,0,0,0,0|0,0,0]=2 831 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,2,0,0,0,0|0,0,0]=2 832 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,2,0,0,0,0|0,1,0]=3 833 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,2,0,0,0,0|0,1,0]=3 834 B11R1.29 CCSCC(=O)c1ccsc1 62a_100000210202_100011219462 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.29 CCSCC(=O)c1ccsc1 62a_100011219462_100000210202 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [0,2,0,0,0,0|1,1,0]=4 837 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [0,2,0,0,0,0|1,1,0]=4 838 B11R1.29 CCSCC(=O)n1cccn1 62a_100000077511_100000210202 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.29 CCSCC(=O)n1cccn1 62a_100000210202_100000077511 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,2,0,0,0,0|1,1,0]=4 841 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,2,0,0,0,0|1,1,0]=4 842 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,2,0,0,0,0|0,1,0]=3 843 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,2,0,0,0,0|0,1,0]=3 844 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_100015361967_200011262396 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_200011262396_100015361967 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,2,0,0,0,0|0,0,0]=2 849 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,2,0,0,0,0|0,0,0]=2 850 B11R1.29 O=C(CSCF)c1cccs1 62a_100000211436_100015361967 [0,2,0,0,0,0|0,1,0]=3 851 B11R1.29 O=C(CSCF)c1cccs1 62a_100015361967_100000211436 [0,2,0,0,0,0|0,1,0]=3 852 B11R1.29 O=C(CSCF)c1ccsc1 62a_100011219462_100015361967 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.29 O=C(CSCF)c1ccsc1 62a_100015361967_100011219462 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.29 O=C(CSCF)c1nccs1 62a_100000718653_100015361967 [0,2,0,0,0,0|1,1,0]=4 855 B11R1.29 O=C(CSCF)c1nccs1 62a_100015361967_100000718653 [0,2,0,0,0,0|1,1,0]=4 856 B11R1.29 O=C(CSCF)n1cccn1 62a_100000077511_100015361967 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.29 O=C(CSCF)n1cccn1 62a_100015361967_100000077511 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,2,0,0,0,0|0,1,0]=3 859 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,2,0,0,0,0|0,1,0]=3 860 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,2,0,0,0,0|1,1,0]=4 863 B11R1.77 CN(C)CC(=O)c1ccc[nH]1 269982a_100102631434_200011262396 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.77 CN(C)CC(=O)c1cccs1 2230a_100102631434_100000211436 [0,2,0,0,0,0|1,1,0]=4 866 B11R1.77 CN(C)CC(=O)c1cccs1 269982a_100102631434_100000211436 [0,2,0,0,0,0|1,1,0]=4 867 B11R1.199 CCOC(=O)c1ocnc1O 271570a_203496583355_100010260153 [0,2,0,0,0,0|1,1,0]=4 868 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.199 CNCC(=O)c1sccc1Br 2230a_106832991635_100000740827 [0,2,0,0,0,0|1,1,0]=4 872 B11R1.199 CNCC(=O)c1sccc1Br 34a_100102657272_100000740827 [0,2,0,0,0,0|1,1,0]=4 873 B11R1.199 CNCC(=O)c1sccc1Br 7a_106832991635_100000740827 [0,2,0,0,0,0|1,1,0]=4 874 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [0,2,0,0,0,0|1,1,0]=4 875 B11R1.199 COCC(=O)c1sccc1Br 34a_100138415774_100000740827 [0,2,0,0,0,0|0,2,0]=4 876 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.199 CSCC(=O)c1nccn1C 62a_100010243886_200000210301 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.199 CSCC(=O)c1nccn1C 62a_200000210301_100010243886 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.199 CSCC(=O)c1sccc1Br 62a_100000740827_200000210301 [0,2,0,0,0,0|0,1,0]=3 881 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_100010243886_200025704644 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_200025704644_100010243886 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.199 [13CH3]SCC(=O)c1sccc1Br 62a_100000740827_200025704644 [0,2,0,0,0,0|0,1,0]=3 886 B11R1.44 C=Cc1ccc([nH]1)C(=O)OC 271570a_100011290941_100000687774 [0,2,0,0,0,0|1,1,0]=4 887 B11R1.44 C=Cc1ccc(o1)C(=O)NC 271570a_100011290941_100000159859 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.44 C=Cc1ccc(o1)C(=O)NN 271570a_100011290941_100000186364 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.44 C=Cc1ccc(o1)C(=O)OC 271570a_100011290941_100000148852 [0,2,0,0,0,0|0,1,0]=3 890 B11R1.44 C=Cc1ccc(s1)C(=O)CC 271570a_100011290941_200011203577 [0,2,0,0,0,0|1,1,0]=4 891 B11R1.44 C=Cc1ccc(s1)C(=O)NC 271570a_100011290941_200000155069 [0,2,0,0,0,0|1,1,0]=4 892 B11R1.44 C=Cc1ccc(s1)C(=O)OC 271570a_100011290941_100000148107 [0,2,0,0,0,0|0,2,0]=4 893 B11R1.44 C=Cc1coc(c1)C(=O)OC 271570a_100011290941_100009992624 [0,2,0,0,0,0|0,1,0]=3 894 B11R1.44 C=Cc1csc(c1)C(=O)OC 271570a_100011290941_100009815473 [0,2,0,0,0,0|0,2,0]=4 895 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200000210301_200011203577 [0,2,0,0,0,0|1,1,0]=4 896 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200011203577_200000210301 [0,2,0,0,0,0|1,1,0]=4 897 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200011203577_200025704644 [0,2,0,0,0,0|1,1,0]=4 898 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200011203577 [0,2,0,0,0,0|1,1,0]=4 899 B11R1.44 CNC(=O)c1ccc(o1)SC 62a_200000210301_100000159859 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.44 CNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000159859 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000155069_200000210301 [0,2,0,0,0,0|1,1,0]=4 902 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000210301_200000155069 [0,2,0,0,0,0|1,1,0]=4 903 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200000155069_200025704644 [0,2,0,0,0,0|1,1,0]=4 904 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155069 [0,2,0,0,0,0|1,1,0]=4 905 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,2,0,0,0,0|1,1,0]=4 906 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,2,0,0,0,0|1,1,0]=4 907 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,2,0,0,0,0|0,1,0]=3 908 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,2,0,0,0,0|0,1,0]=3 909 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,2,0,0,0,0|0,2,0]=4 910 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,2,0,0,0,0|0,2,0]=4 911 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,2,0,0,0,0|0,2,0]=4 912 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,2,0,0,0,0|0,2,0]=4 913 B11R1.44 COC(=O)c1cc(no1)SC 62a_100009817109_200000210301 [0,2,0,0,0,0|1,1,0]=4 914 B11R1.44 COC(=O)c1cc(no1)SC 62a_200000210301_100009817109 [0,2,0,0,0,0|1,1,0]=4 915 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_100009817109_200025704644 [0,2,0,0,0,0|1,1,0]=4 916 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_200025704644_100009817109 [0,2,0,0,0,0|1,1,0]=4 917 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,2,0,0,0,0|1,1,0]=4 918 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,2,0,0,0,0|1,1,0]=4 919 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,2,0,0,0,0|0,1,0]=3 920 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,2,0,0,0,0|0,1,0]=3 921 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,2,0,0,0,0|0,2,0]=4 922 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,2,0,0,0,0|0,2,0]=4 923 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,2,0,0,0,0|0,2,0]=4 924 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,2,0,0,0,0|0,2,0]=4 925 B11R1.44 CSc1ccc(o1)C(=O)NN 62a_200000210301_100000186364 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.44 [13CH3]Sc1ccc(o1)C(=O)NN 62a_200025704644_100000186364 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.225 COC(=O)c1cc(cn1C)O 271570a_203496583355_100000240937 [0,2,0,0,0,0|1,1,0]=4 928 B11R1.225 COC(=O)c1oc(cc1C)O 271570a_203496583355_100000737583 [0,2,0,0,0,0|0,1,0]=3 929 B11R1.225 COC(=O)c1sc(cc1F)O 271570a_203496583355_100010734428 [0,2,0,0,0,0|0,2,0]=4 930 B11R1.225 COC(=O)c1sc(cc1N)O 271570a_203496583355_100010255210 [0,2,0,0,0,0|0,2,0]=4 931 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,2,0,0,0,0|0,2,0]=4 932 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,2,0,0,0,0|0,2,0]=4 933 B11R1.226 COC(=O)c1cc(c(s1)O)N 271570a_203496583355_200010749435 [0,2,0,0,0,0|0,2,0]=4 934 B11R1.314 CN(C)C(=O)c1ccc(s1)O 271570a_203496583355_200000159620 [0,2,0,0,0,0|1,1,0]=4 935 B11R1.865 COC(=O)c1ccc(n1C)O 271570a_203496583355_100010124797 [0,2,0,0,0,0|1,1,0]=4 936 B11R1.865 COC(=O)c1scc(c1C)O 271570a_203496583355_100010184805 [0,2,0,0,0,0|0,2,0]=4 937 B11R1.865 COC(=O)c1scc(c1N)O 271570a_203496583355_100010201200 [0,2,0,0,0,0|0,2,0]=4 938 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,2,0,0,0,0|0,2,0]=4 939 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [0,2,0,0,0,0|0,2,0]=4 940 B11R1.59 C=Cc1cc[nH]c1C(=O)OC 271570a_100011290941_100102525103 [0,2,0,0,0,0|1,1,0]=4 941 B11R1.59 C=Cc1ccoc1C(=O)OC 271570a_100011290941_100012676306 [0,2,0,0,0,0|0,1,0]=3 942 B11R1.59 C=Cc1ccsc1C(=O)OC 271570a_100011290941_100000730364 [0,2,0,0,0,0|0,2,0]=4 943 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,2,0,0,0,0|1,1,0]=4 944 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,2,0,0,0,0|1,1,0]=4 945 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,2,0,0,0,0|1,1,0]=4 946 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,2,0,0,0,0|1,1,0]=4 947 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,2,0,0,0,0|0,1,0]=3 948 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,2,0,0,0,0|0,1,0]=3 949 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,2,0,0,0,0|0,2,0]=4 950 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,2,0,0,0,0|0,2,0]=4 951 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,2,0,0,0,0|0,2,0]=4 952 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,2,0,0,0,0|0,2,0]=4 953 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [0,0,1,1,0,0|2,0,0]=4 954 B9R1.3 Cc1cccc(c1Cl)O 271570a_203496583355_200012352035 [0,0,1,1,0,0|2,0,0]=4 955 B9R1.3 Cc1cccc(c1F)O 271570a_203496583355_100000717567 [0,0,1,1,0,0|2,0,0]=4 956 B9R1.3 Cc1cccc(c1N)O 271570a_203496583355_100011834072 [0,0,1,1,0,0|2,0,0]=4 957 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [0,0,1,1,0,0|1,0,1]=4 958 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [0,0,1,1,0,0|1,0,1]=4 959 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,0,1,1,0,0|1,0,0]=3 960 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [0,0,1,1,0,0|2,0,0]=4 961 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,0,1,1,0,0|2,0,0]=4 962 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [0,0,1,1,0,0|2,0,0]=4 963 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [0,0,1,1,0,0|2,0,0]=4 964 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [0,0,1,1,0,0|2,0,0]=4 965 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [0,0,1,1,0,0|1,1,0]=4 966 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [0,0,1,1,0,0|1,1,0]=4 967 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [0,0,1,1,0,0|2,0,0]=4 968 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [0,0,1,1,0,0|2,0,0]=4 969 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [0,0,1,1,0,0|2,0,0]=4 970 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [0,0,1,1,0,0|2,0,0]=4 971 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [0,0,1,1,0,0|2,0,0]=4 972 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [0,0,1,1,0,0|2,0,0]=4 973 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [0,0,1,1,0,0|2,0,0]=4 974 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [0,0,1,1,0,0|2,0,0]=4 975 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [0,0,1,1,0,0|2,0,0]=4 976 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [0,0,1,1,0,0|2,0,0]=4 977 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [0,0,1,1,0,0|1,0,0]=3 978 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [0,0,1,1,0,0|1,0,0]=3 979 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [0,0,1,1,0,0|1,0,0]=3 980 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [0,0,1,1,0,0|2,0,0]=4 981 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [0,0,1,1,0,0|2,0,0]=4 982 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [0,0,1,1,0,0|2,0,0]=4 983 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [0,0,1,1,0,0|2,0,0]=4 984 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [0,0,1,1,0,0|2,0,0]=4 985 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [0,0,1,1,0,0|2,0,0]=4 986 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [0,0,1,1,0,0|2,0,0]=4 987 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [0,0,1,1,0,0|2,0,0]=4 988 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [0,0,1,1,0,0|2,0,0]=4 989 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [0,0,1,1,0,0|2,0,0]=4 990 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [0,0,1,1,0,0|2,0,0]=4 991 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [0,0,1,1,0,0|2,0,0]=4 992 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [0,0,1,1,0,0|2,0,0]=4 993 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [0,0,1,1,0,0|2,0,0]=4 994 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [0,0,1,1,0,0|1,0,0]=3 995 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [0,0,1,1,0,0|1,0,0]=3 996 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [0,0,1,1,0,0|1,0,0]=3 997 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [0,0,1,1,0,0|2,0,0]=4 998 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [0,0,1,1,0,0|2,0,0]=4 999 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [0,0,1,1,0,0|2,0,0]=4 1000 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [0,0,1,1,0,0|2,0,0]=4 1001 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [0,0,1,1,0,0|2,0,0]=4 1002 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [0,0,1,1,0,0|2,0,0]=4 1003 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [0,0,1,1,0,0|2,0,0]=4 1004 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [0,0,1,1,0,0|2,0,0]=4 1005 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [0,0,1,1,0,0|2,0,0]=4 1006 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [0,0,1,1,0,0|2,0,0]=4 1007 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [0,0,1,1,0,0|2,0,0]=4 1008 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [0,0,1,1,0,0|2,0,0]=4 1009 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [0,0,1,1,0,0|2,0,0]=4 1010 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [0,0,1,1,0,0|1,0,0]=3 1011 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [0,0,1,1,0,0|1,0,0]=3 1012 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [0,0,1,1,0,0|2,0,0]=4 1013 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [0,0,1,1,0,0|2,0,0]=4 1014 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [0,0,1,1,0,0|2,0,0]=4 1015 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [0,0,1,1,0,0|2,0,0]=4 1016 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [0,0,1,1,0,0|2,0,0]=4 1017 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [0,0,1,1,0,0|2,0,0]=4 1018 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [0,0,1,1,0,0|2,0,0]=4 1019 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [0,0,1,1,0,0|2,0,0]=4 1020 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [0,0,1,1,0,0|2,0,0]=4 1021 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [0,0,1,1,0,0|2,0,0]=4 1022 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [0,0,1,1,0,0|2,0,0]=4 1023 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [0,0,1,1,0,0|2,0,0]=4 1024 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [0,0,1,1,0,0|1,0,0]=3 1025 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [0,0,1,1,0,0|1,0,0]=3 1026 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,0,1,1,0,0|2,0,0]=4 1027 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,0,1,1,0,0|2,0,0]=4 1028 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,0,1,1,0,0|2,0,0]=4 1029 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,0,1,1,0,0|2,0,0]=4 1030 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,0,1,1,0,0|2,0,0]=4 1031 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,0,1,1,0,0|1,1,0]=4 1032 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [0,0,1,1,0,0|1,1,0]=4 1033 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [0,0,1,1,0,0|2,0,0]=4 1034 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,0,1,1,0,0|1,0,1]=4 1035 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [0,0,1,1,0,0|2,0,0]=4 1036 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [0,0,1,1,0,0|2,0,0]=4 1037 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,0,1,1,0,0|2,0,0]=4 1038 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,0,1,1,0,0|2,0,0]=4 1039 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [0,0,1,1,0,0|2,0,0]=4 1040 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [0,0,1,1,0,0|2,0,0]=4 1041 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [0,0,1,1,0,0|2,0,0]=4 1042 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [0,0,1,1,0,0|2,0,0]=4 1043 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [0,0,1,1,0,0|2,0,0]=4 1044 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [0,0,1,1,0,0|2,0,0]=4 1045 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,0,1,1,0,0|1,0,0]=3 1046 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,0,1,1,0,0|1,0,0]=3 1047 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [0,0,1,1,0,0|1,1,0]=4 1048 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [0,0,1,1,0,0|1,1,0]=4 1049 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [0,0,1,1,0,0|2,0,0]=4 1050 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [0,0,1,1,0,0|2,0,0]=4 1051 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,0,1,1,0,0|2,0,0]=4 1052 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,0,1,1,0,0|2,0,0]=4 1053 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [0,0,1,1,0,0|2,0,0]=4 1054 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [0,0,1,1,0,0|2,0,0]=4 1055 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [0,0,1,1,0,0|2,0,0]=4 1056 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [0,0,1,1,0,0|2,0,0]=4 1057 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [0,0,1,1,0,0|2,0,0]=4 1058 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [0,0,1,1,0,0|2,0,0]=4 1059 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [0,0,1,1,0,0|1,0,0]=3 1060 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [0,0,1,1,0,0|2,0,0]=4 1061 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [0,0,1,1,0,0|2,0,0]=4 1062 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [0,0,1,1,0,0|2,0,0]=4 1063 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [0,0,1,1,0,0|2,0,0]=4 1064 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [0,0,1,1,0,0|2,0,0]=4 1065 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [0,0,1,1,0,0|2,0,0]=4 1066 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [0,0,1,1,0,0|2,0,0]=4 1067 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [0,0,1,1,0,0|2,0,0]=4 1068 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,0,1,1,0,0|2,0,0]=4 1069 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,0,1,1,0,0|2,0,0]=4 1070 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,0,1,1,0,0|2,0,0]=4 1071 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,0,1,1,0,0|2,0,0]=4 1072 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,0,1,1,0,0|2,0,0]=4 1073 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [0,0,1,1,0,0|2,0,0]=4 1074 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,0,1,1,0,0|1,0,1]=4 1075 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [0,0,1,1,0,0|2,0,0]=4 1076 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [0,0,1,1,0,0|2,0,0]=4 1077 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [0,0,1,1,0,0|2,0,0]=4 1078 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [0,0,1,1,0,0|2,0,0]=4 1079 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [0,0,1,1,0,0|2,0,0]=4 1080 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [0,0,1,1,0,0|2,0,0]=4 1081 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [0,0,1,1,0,0|2,0,0]=4 1082 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [0,0,1,1,0,0|2,0,0]=4 1083 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,0,1,1,0,0|1,0,0]=3 1084 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [0,0,1,1,0,0|1,1,0]=4 1085 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [0,0,1,1,0,0|1,1,0]=4 1086 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [0,0,1,1,0,0|2,0,0]=4 1087 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [0,0,1,1,0,0|2,0,0]=4 1088 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [0,0,1,1,0,0|2,0,0]=4 1089 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [0,0,1,1,0,0|2,0,0]=4 1090 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [0,0,1,1,0,0|2,0,0]=4 1091 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [0,0,1,1,0,0|2,0,0]=4 1092 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [0,0,1,1,0,0|2,0,0]=4 1093 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [0,0,1,1,0,0|2,0,0]=4 1094 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [0,0,1,1,0,0|2,0,0]=4 1095 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [0,0,1,1,0,0|2,0,0]=4 1096 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [0,0,1,1,0,0|2,0,0]=4 1097 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [0,0,1,1,0,0|2,0,0]=4 1098 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,0,1,1,0,0|1,0,1]=4 1099 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,0,1,1,0,0|0,0,2]=4 1100 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,0,1,1,0,0|0,0,2]=4 1101 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,0,1,1,0,0|0,0,2]=4 1102 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,0,1,1,0,0|0,1,1]=4 1103 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,0,1,1,0,0|0,1,1]=4 1104 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,0,1,1,0,0|0,1,1]=4 1105 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,0,1,1,0,0|0,1,1]=4 1106 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,0,1,1,0,0|2,0,0]=4 1107 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,0,1,1,0,0|2,0,0]=4 1108 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,0,1,1,0,0|1,0,1]=4 1109 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,0,1,1,0,0|0,0,2]=4 1110 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,0,1,1,0,0|0,0,2]=4 1111 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,0,1,1,0,0|0,0,2]=4 1112 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,0,1,1,0,0|0,1,1]=4 1113 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,0,1,1,0,0|0,1,1]=4 1114 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,0,1,1,0,0|0,1,1]=4 1115 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,0,1,1,0,0|0,1,1]=4 1116 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,0,1,1,0,0|2,0,0]=4 1117 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,0,1,1,0,0|2,0,0]=4 1118 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,0,1,1,0,0|1,1,0]=4 1119 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,0,1,1,0,0|2,0,0]=4 1120 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,0,1,1,0,0|2,0,0]=4 1121 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,0,1,1,0,0|2,0,0]=4 1122 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,0,1,1,0,0|2,0,0]=4 1123 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [1,0,0,1,0,0|1,0,1]=4 1124 B11R2.15 CSc1cc2sccc2s1 62a_200000210301_200010191111 [0,0,0,1,0,1|0,2,0]=4 1125 B11R2.15 [13CH3]Sc1cc2sccc2s1 62a_200025704644_200010191111 [0,0,0,1,0,1|0,2,0]=4 1126 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,1,0,1,0,0|2,0,0]=4 1127 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [0,1,0,1,0,0|1,0,1]=4 1128 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [0,1,0,1,0,0|1,0,1]=4 1129 B11R2.2 c1coc(c1)c2cccs2 271570a_100000742291_100009814098 [0,1,0,1,0,0|1,0,1]=4 1130 B11R2.2 c1coc(c1)c2cccs2 271570a_100000750936_100011215356 [0,1,0,1,0,0|1,0,1]=4 1131 B11R2.2 c1coc(c1)c2ccsc2 271570a_100000750936_100000738268 [0,1,0,1,0,0|1,0,1]=4 1132 B11R2.2 c1coc(c1)c2ccsc2 271570a_100011934443_100009814098 [0,1,0,1,0,0|1,0,1]=4 1133 B11R2.2 c1coc(c1)c2ccsn2 271570a_100000750936_100009818082 [0,1,0,1,0,0|1,0,1]=4 1134 B11R2.2 c1coc(c1)c2cncs2 271570a_100000750936_100011934649 [0,1,0,1,0,0|1,0,1]=4 1135 B11R2.2 c1coc(c1)c2cncs2 271570a_100010231675_100009814098 [0,1,0,1,0,0|1,0,1]=4 1136 B11R2.2 c1coc(c1)c2cnsc2 271570a_100000750936_100009815736 [0,1,0,1,0,0|2,0,0]=4 1137 B11R2.2 c1coc(c1)c2cscn2 271570a_100000750936_100000751502 [0,1,0,1,0,0|1,0,1]=4 1138 B11R2.2 c1coc(c1)c2nccs2 271570a_100000750936_100000211983 [0,1,0,1,0,0|1,0,1]=4 1139 B11R2.2 c1coc(c1)c2ncns2 271570a_100000750936_100000693119 [0,1,0,1,0,0|1,0,1]=4 1140 B11R2.2 c1coc(c1)c2nncs2 271570a_100000750936_100000739804 [0,1,0,1,0,0|1,0,1]=4 1141 B11R2.191 CSc1csc2c1scc2 62a_200000210301_100009817191 [0,1,0,1,0,0|0,2,0]=4 1142 B11R2.191 [13CH3]Sc1csc2c1scc2 62a_200025704644_100009817191 [0,1,0,1,0,0|0,2,0]=4 1143 B11R2.1031 C=C(c1ccco1)C2CC2 271570a_100010895485_100009814098 [0,1,0,1,0,0|2,0,0]=4 1144 B11R2.66 O=C1OCc2c1sc(c2)O 271570a_203496583355_100010986393 [0,1,0,1,0,0|0,2,0]=4 1145 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,1|2,0,0]=4 1146 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,1|2,0,0]=4 1147 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,1|2,0,0]=4 1148 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,1|2,0,0]=4 1149 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,1|2,0,0]=4 1150 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,1|2,0,0]=4 1151 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,1|2,0,0]=4 1152 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,1|2,0,0]=4 1153 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [1,0,0,0,0,1|0,0,2]=4 1154 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [1,0,0,0,0,1|0,0,2]=4 1155 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,1|1,0,0]=3 1156 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [1,0,0,0,0,1|0,0,2]=4 1157 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [1,0,0,0,0,1|0,0,2]=4 1158 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,1|1,0,0]=3 1159 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,1|2,0,0]=4 1160 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,1|2,0,0]=4 1161 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,1|2,0,0]=4 1162 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,1|2,0,0]=4 1163 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,1|2,0,0]=4 1164 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,1|2,0,0]=4 1165 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,1|2,0,0]=4 1166 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,1|2,0,0]=4 1167 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,1|1,0,1]=4 1168 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,1|1,0,1]=4 1169 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,1|1,0,1]=4 1170 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,1|1,0,1]=4 1171 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,1|1,0,1]=4 1172 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,1|1,0,1]=4 1173 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,1|1,0,1]=4 1174 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,1|1,0,1]=4 1175 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,1|1,0,1]=4 1176 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,1|1,0,1]=4 1177 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,1|1,0,1]=4 1178 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,1|1,0,1]=4 1179 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,0,0,0,0,1|1,0,1]=4 1180 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,0,0,0,0,1|1,0,1]=4 1181 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,1|1,0,1]=4 1182 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,1|1,0,1]=4 1183 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,1|1,0,1]=4 1184 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,1|1,0,1]=4 1185 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,1|1,0,1]=4 1186 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,1|1,0,1]=4 1187 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,1|1,0,1]=4 1188 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,1|1,0,1]=4 1189 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,1|1,0,1]=4 1190 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,1|1,0,1]=4 1191 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,1|1,0,1]=4 1192 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,1|1,0,1]=4 1193 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,0,0,0,0,1|1,0,1]=4 1194 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,0,0,0,0,1|1,0,1]=4 1195 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,2|2,0,0]=4 1196 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,2|2,0,0]=4 1197 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,2|2,0,0]=4 1198 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,2|2,0,0]=4 1199 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,2|2,0,0]=4 1200 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,0,0,0,0,2|2,0,0]=4 1201 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,2|2,0,0]=4 1202 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,0,0,0,0,2|2,0,0]=4 1203 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,0,0,0,0,2|2,0,0]=4 1204 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1205 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1206 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1207 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,2|2,0,0]=4 1208 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,2|2,0,0]=4 1209 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,2|2,0,0]=4 1210 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,2|2,0,0]=4 1211 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,2|2,0,0]=4 1212 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,2|2,0,0]=4 1213 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,2|2,0,0]=4 1214 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,2|2,0,0]=4 1215 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,2|2,0,0]=4 1216 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,2|2,0,0]=4 1217 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,2|2,0,0]=4 1218 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [0,0,0,0,0,2|1,0,1]=4 1219 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [0,0,0,0,0,2|1,0,1]=4 1220 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,0,0,0,0,2|1,1,0]=4 1221 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,0,0,0,0,2|2,0,0]=4 1222 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,0,0,0,0,2|1,0,0]=3 1223 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,0,0,0,0,2|1,1,0]=4 1224 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,0,0,0,0,2|1,1,0]=4 1225 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,0,0,0,0,2|1,0,0]=3 1226 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,0,0,0,0,2|1,0,0]=3 1227 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,0,0,0,0,2|1,1,0]=4 1228 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,0,0,0,0,2|1,1,0]=4 1229 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,0,0,0,0,2|2,0,0]=4 1230 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,0,0,0,0,2|2,0,0]=4 1231 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,0,0,0,0,2|2,0,0]=4 1232 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,0,0,0,0,2|2,0,0]=4 1233 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,0,0,0,0,2|2,0,0]=4 1234 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,0,0,0,0,2|2,0,0]=4 1235 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,0,0,0,0,2|2,0,0]=4 1236 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1237 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1238 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1239 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,0,0,0,0,2|1,0,0]=3 1240 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,0,0,0,0,2|1,1,0]=4 1241 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,0,0,0,0,2|1,1,0]=4 1242 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,0,0,0,0,2|1,1,0]=4 1243 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,0,0,0,0,2|1,1,0]=4 1244 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,0,0,0,0,2|2,0,0]=4 1245 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,0,0,0,0,2|2,0,0]=4 1246 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,0,0,0,0,2|2,0,0]=4 1247 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,0,0,0,0,2|2,0,0]=4 1248 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,0,0,0,0,2|2,0,0]=4 1249 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,0,0,0,0,2|2,0,0]=4 1250 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,0,0,0,0,2|2,0,0]=4 1251 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,0,0,0,0,2|1,1,0]=4 1252 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,0,0,0,0,2|1,1,0]=4 1253 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,0,0,0,0,2|1,1,0]=4 1254 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,0,0,0,0,2|2,0,0]=4 1255 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,0,0,0,0,2|2,0,0]=4 1256 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,0,0,0,0,2|2,0,0]=4 1257 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,0,0,0,0,2|1,0,0]=3 1258 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,0,0,0,0,2|1,0,0]=3 1259 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,0,0,0,0,2|1,0,0]=3 1260 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,0,0,0,0,2|1,1,0]=4 1261 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,0,0,0,0,2|1,1,0]=4 1262 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,0,0,0,0,2|1,1,0]=4 1263 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,0,0,0,0,2|1,1,0]=4 1264 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,0,0,0,0,2|1,0,0]=3 1265 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,0,0,0,0,2|1,0,0]=3 1266 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,0,0,0,0,2|1,1,0]=4 1267 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,0,0,0,0,2|1,1,0]=4 1268 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [0,0,0,0,0,2|2,0,0]=4 1269 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [0,0,0,0,0,2|2,0,0]=4 1270 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [0,0,0,0,0,2|2,0,0]=4 1271 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [0,0,0,0,0,2|2,0,0]=4 1272 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,0,0,0,0,2|2,0,0]=4 1273 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,0,0,0,0,2|2,0,0]=4 1274 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,0,0,0,0,2|2,0,0]=4 1275 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,0,0,0,0,2|1,0,0]=3 1276 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,0,0,0,0,2|1,0,0]=3 1277 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,0,0,0,0,2|1,0,0]=3 1278 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,0,0,0,0,2|1,0,0]=3 1279 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,0,0,0,0,2|1,0,0]=3 1280 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,0,0,0,0,2|1,1,0]=4 1281 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,0,0,0,0,2|1,1,0]=4 1282 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,0,0,0,0,2|1,1,0]=4 1283 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,0,0,0,0,2|1,1,0]=4 1284 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,0,0,0,0,2|1,1,0]=4 1285 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,0,0,0,0,2|1,1,0]=4 1286 B11R1.25 CNC(=O)NCc1cnco1 2708a_100020634212_106832991635 [0,0,0,0,0,2|2,0,0]=4 1287 B11R1.25 CNC(=O)NCc1cnco1 2708a_100102657272_100020634212 [0,0,0,0,0,2|2,0,0]=4 1288 B11R1.25 CNC(=O)NCc1cnco1 273464a_100020634212_100102657272 [0,0,0,0,0,2|2,0,0]=4 1289 B11R1.25 CNC(=O)NCc1cnco1 273464a_100102657272_100020634212 [0,0,0,0,0,2|2,0,0]=4 1290 B11R1.25 CNC(=O)NCc1cnco1 512a_100020634212_100102657272 [0,0,0,0,0,2|2,0,0]=4 1291 B11R1.25 CNC(=O)NCc1cnco1 512a_106832991638_100020634212 [0,0,0,0,0,2|2,0,0]=4 1292 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [0,0,0,0,0,2|2,0,0]=4 1293 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [0,0,0,0,0,2|2,0,0]=4 1294 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [0,0,0,0,0,2|2,0,0]=4 1295 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [0,0,0,0,0,2|2,0,0]=4 1296 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [0,0,0,0,0,2|2,0,0]=4 1297 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [0,0,0,0,0,2|2,0,0]=4 1298 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,0,0,0,0,2|0,1,0]=3 1299 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,0,0,0,0,2|0,1,0]=3 1300 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,0,0,0,0,2|0,2,0]=4 1301 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,0,0,0,0,2|0,2,0]=4 1302 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [0,0,0,0,0,2|1,1,0]=4 1303 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [0,0,0,0,0,2|1,1,0]=4 1304 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,0,0,0,0,2|1,1,0]=4 1305 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,0,0,0,0,2|1,1,0]=4 1306 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,0,0,0,0,2|2,0,0]=4 1307 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,0,0,0,0,2|2,0,0]=4 1308 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,0,0,0,0,2|2,0,0]=4