0 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,0,0,0,0,0|2,1,1]=4 20 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,0,0,0,0,0|2,1,1]=4 21 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,0,0,0,0,0|2,1,1]=4 22 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,0,0,0|1,1,1]=3 27 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,0,0,0,0,0|1,2,1]=4 28 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,0,0,0,0,0|2,1,1]=4 29 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,0,0,0,0,0|2,1,1]=4 30 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,0,0,0,0,0|2,1,1]=4 31 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,0,0,0,0,0|2,1,1]=4 40 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,0,0,0,0,0|2,1,1]=4 41 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,0,0,0,0,0|2,0,1]=3 47 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,0,0,0,0,0|2,1,1]=4 48 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,0,0,0,0,0|2,1,1]=4 49 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,0,0,0,0,0|3,1,0]=4 52 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,0,0,0,0,0|3,1,0]=4 53 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,0,0,0,0,0|3,1,0]=4 54 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,0,0,0,0,0|3,1,0]=4 55 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,0,0,0,0,0|3,1,0]=4 56 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,0,0,0,0,0|3,1,0]=4 57 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,0,0,0,0,0|3,1,0]=4 58 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,0,0,0,0,0|3,1,0]=4 59 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,0,0,0,0,0|3,1,0]=4 62 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,0,0,0,0,0|3,1,0]=4 63 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,0,0,0,0,0|3,0,1]=4 66 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,0,0,0,0,0|1,1,1]=3 69 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,0,0,0,0,0|1,2,1]=4 70 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,0,0,0,0,0|2,1,1]=4 71 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [0,0,0,0,0,0|2,1,1]=4 72 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,0,0,0,0,0|2,1,1]=4 81 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,0,0,0,0,0|2,1,1]=4 82 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [0,0,0,0,0,0|2,0,1]=3 87 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [0,0,0,0,0,0|2,0,1]=3 88 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [0,0,0,0,0,0|2,1,1]=4 89 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [0,0,0,0,0,0|2,1,1]=4 90 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,0,0,0,0,0|3,0,1]=4 92 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.12 O=CCSc1cc[nH]n1 62a_100000062575_200015260668 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.12 O=CCSc1cc[nH]n1 62a_200015260668_100000062575 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,0,0|2,0,0]=2 99 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,0,0|2,0,0]=2 100 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,0,0,0|2,1,0]=3 101 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,0,0,0|2,1,0]=3 102 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.12 O=CCSc1ccsn1 62a_100009818082_200015260668 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.12 O=CCSc1ccsn1 62a_200015260668_100009818082 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,0,0,0,0,0|3,0,0]=3 112 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [0,0,0,0,0,0|3,1,0]=4 113 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [0,0,0,0,0,0|3,1,0]=4 114 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.12 O=CCSc1ncc[nH]1 62a_100025796157_200015260668 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.12 O=CCSc1ncc[nH]1 62a_200015260668_100025796157 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [0,0,0,0,0,0|3,1,0]=4 121 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [0,0,0,0,0,0|3,1,0]=4 122 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,0,0,0,0,0|2,0,2]=4 123 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,0,0,0,0,0|2,0,2]=4 124 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,0,0,0|3,0,0]=3 125 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,0,0,0,0,0|3,1,0]=4 127 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,0,0,0,0,0|3,1,0]=4 128 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,0,0,0,0,0|3,1,0]=4 129 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,0,0,0,0,0|3,1,0]=4 130 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,0,0,0,0,0|3,1,0]=4 131 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,0,0,0,0,0|3,1,0]=4 132 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,0,0|1,0,1]=3 133 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,0,0,0,0,0|1,1,1]=4 134 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|1,0,1]=3 137 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|1,1,1]=4 138 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|1,0,1]=3 141 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|1,0,1]=3 142 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|1,1,1]=4 143 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|1,1,1]=4 144 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|2,0,1]=4 147 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|2,0,1]=4 148 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|1,0,1]=3 149 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|1,0,1]=3 150 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|1,0,1]=3 151 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|1,0,1]=3 152 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|1,1,1]=4 153 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|1,1,1]=4 154 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|1,1,1]=4 155 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,0,0,0,0,0|2,0,1]=4 156 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,0,0|2,0,1]=4 158 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,0,0|2,0,1]=4 159 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,0,0|2,0,1]=4 160 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,0,0|2,0,1]=4 161 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|0,1,1]=3 162 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|0,2,1]=4 163 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [1,0,0,0,0,0|1,1,1]=4 164 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,0,0|1,1,1]=4 165 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,0,0|1,1,1]=4 166 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,0,0|2,0,1]=4 168 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [1,0,0,0,0,0|2,0,1]=4 169 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [1,0,0,0,0,0|2,0,1]=4 170 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,0,0|2,0,1]=4 171 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,0,0|2,0,1]=4 172 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,0,0|2,0,1]=4 174 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [1,0,0,0,0,0|1,1,1]=4 175 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [1,0,0,0,0,0|1,1,1]=4 176 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,0,0|2,0,1]=4 177 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,0,0|2,0,1]=4 178 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|2,0,1]=4 180 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,0,0|1,0,1]=3 181 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,0,0|1,0,1]=3 182 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,0,0|1,1,1]=4 183 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,0,0|1,1,1]=4 184 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,0,0,0,0,0|1,0,1]=3 185 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,0,0,0,0,0|1,0,1]=3 186 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,0,0,0,0,0|1,1,1]=4 187 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,0,0,0,0,0|1,1,1]=4 188 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [1,0,0,0,0,0|2,0,1]=4 189 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [1,0,0,0,0,0|2,0,1]=4 190 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [1,0,0,0,0,0|2,0,1]=4 191 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [1,0,0,0,0,0|2,0,1]=4 192 B8R1.8 O=CCN1CC=CC1 269982a_100015195280_200015260668 [1,0,0,0,0,0|2,0,1]=4 193 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|1,0,1]=3 194 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|1,0,1]=3 195 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|1,1,1]=4 196 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,0,0|2,0,1]=4 197 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|0,1,1]=3 198 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|0,2,1]=4 199 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [1,0,0,0,0,0|1,1,1]=4 200 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,0,0|1,1,1]=4 201 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,0,0|2,0,1]=4 203 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [1,0,0,0,0,0|2,0,1]=4 205 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,0,0|2,0,1]=4 206 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,0,0|2,0,1]=4 207 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,0,0|2,0,1]=4 208 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,0,0|2,0,1]=4 209 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [1,0,0,0,0,0|1,1,1]=4 210 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [1,0,0,0,0,0|1,1,1]=4 211 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,0,0|2,0,1]=4 212 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,0,0|2,0,1]=4 213 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|2,0,1]=4 214 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|2,0,1]=4 215 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,0,0|1,0,1]=3 216 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,0,0|1,0,1]=3 217 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,0,0|1,1,1]=4 218 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,0,0|1,1,1]=4 219 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,1,0,0,0,0|1,1,1]=4 221 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,1,0,0,0,0|1,1,1]=4 222 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,1,0,0,0,0|1,1,1]=4 224 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,1,0,0,0,0|1,1,1]=4 225 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [0,1,0,0,0,0|1,1,1]=4 237 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [0,1,0,0,0,0|1,1,1]=4 238 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,1,0,0,0,0|1,1,1]=4 239 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,1,0,0,0,0|1,1,1]=4 240 B10R1.16 CCSCc1cc(cs1)Br 62a_100000210202_100000746031 [0,1,0,0,0,0|1,1,1]=4 241 B10R1.16 CCSCc1cc(cs1)Br 62a_100000746031_100000210202 [0,1,0,0,0,0|1,1,1]=4 242 B10R1.16 CCSCc1cc(no1)Br 62a_100000210202_100000709089 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.16 CCSCc1cc(no1)Br 62a_100000709089_100000210202 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.16 CCSCc1ccc(s1)Br 62a_100000210202_100000708592 [0,1,0,0,0,0|1,1,1]=4 247 B10R1.16 CCSCc1ccc(s1)Br 62a_100000708592_100000210202 [0,1,0,0,0,0|1,1,1]=4 248 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000185097_100000210202 [0,1,0,0,0,0|1,1,1]=4 249 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000210202_100000185097 [0,1,0,0,0,0|1,1,1]=4 250 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.16 Cc1cc(on1)CSCF 62a_100000707947_100015361967 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.16 Cc1cc(on1)CSCF 62a_100015361967_100000707947 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [0,1,0,0,0,0|1,1,1]=4 262 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [0,1,0,0,0,0|1,1,1]=4 263 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [0,1,0,0,0,0|2,1,0]=4 264 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [0,1,0,0,0,0|2,1,0]=4 265 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [0,1,0,0,0,0|2,1,0]=4 266 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [0,1,0,0,0,0|2,1,0]=4 267 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [0,1,0,0,0,0|1,1,1]=4 269 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [0,1,0,0,0,0|1,1,1]=4 270 B10R1.16 FCSCc1cc(cs1)Br 62a_100000746031_100015361967 [0,1,0,0,0,0|1,1,1]=4 271 B10R1.16 FCSCc1cc(cs1)Br 62a_100015361967_100000746031 [0,1,0,0,0,0|1,1,1]=4 272 B10R1.16 FCSCc1cc(no1)Br 62a_100000709089_100015361967 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.16 FCSCc1cc(no1)Br 62a_100015361967_100000709089 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.16 FCSCc1ccc(s1)Br 62a_100000708592_100015361967 [0,1,0,0,0,0|1,1,1]=4 275 B10R1.16 FCSCc1ccc(s1)Br 62a_100015361967_100000708592 [0,1,0,0,0,0|1,1,1]=4 276 B10R1.16 FCSCc1ccc(s1)Cl 62a_100000185097_100015361967 [0,1,0,0,0,0|1,1,1]=4 277 B10R1.16 FCSCc1ccc(s1)Cl 62a_100015361967_100000185097 [0,1,0,0,0,0|1,1,1]=4 278 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [0,1,0,0,0,0|2,1,0]=4 279 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [0,1,0,0,0,0|2,1,0]=4 280 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [0,1,0,0,0,0|2,0,1]=4 284 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [0,1,0,0,0,0|1,1,1]=4 285 B10R1.21 C#CCSCc1ncco1 62a_100000038162_103436540062 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,1,0,0,0,0|2,1,0]=4 289 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,1,0,0,0,0|2,1,0]=4 290 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [0,1,0,0,0,0|2,1,0]=4 297 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [0,1,0,0,0,0|2,1,0]=4 298 B10R1.21 C=CCCSc1cnco1 62a_100000754431_100020591547 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.21 C=CCCSc1cnco1 62a_100020591547_100000754431 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.21 C=CCCSc1ncco1 62a_100000754431_100011787736 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.21 C=CCCSc1ncco1 62a_100011787736_100000754431 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,1,0,0,0,0|2,1,0]=4 306 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,1,0,0,0,0|2,1,0]=4 307 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,1,0,0,0,0|1,1,0]=3 312 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,1,0,0,0,0|1,2,0]=4 313 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,1,0,0,0,0|2,1,0]=4 314 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [0,1,0,0,0,0|2,1,0]=4 315 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [0,1,0,0,0,0|2,1,0]=4 316 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000210623_100000707719 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000707719_100000210623 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000210623_100000728653 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000728653_100000210623 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.21 C=CCSCc1ccon1 62a_100000210623_100000234950 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.21 C=CCSCc1ccon1 62a_100000234950_100000210623 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.21 C=CCSCc1ccsc1 62a_100000210623_100011233845 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.21 C=CCSCc1ccsc1 62a_100011261437_100000210623 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.21 C=CCSCc1cncs1 62a_100000210623_100015185245 [0,1,0,0,0,0|2,1,0]=4 325 B10R1.21 C=CCSCc1cncs1 62a_100015185245_100000210623 [0,1,0,0,0,0|2,1,0]=4 326 B10R1.21 C=CCSCc1cscn1 62a_100000205941_100000210623 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.21 C=CCSCc1cscn1 62a_100000210623_100000205941 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.21 C=CCSCc1ncc[nH]1 62a_100000210623_100016991755 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.21 C=CCSCc1ncc[nH]1 62a_100016991755_100000210623 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.21 C=CCSCc1nccs1 62a_100000210623_100015184050 [0,1,0,0,0,0|2,1,0]=4 333 B10R1.21 C=CCSCc1nccs1 62a_100015184050_100000210623 [0,1,0,0,0,0|2,1,0]=4 334 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,1,0,0,0,0|2,1,0]=4 339 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,1,0,0,0,0|2,1,0]=4 340 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,0,0,0|1,1,1]=4 351 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,1,0,0,0,0|2,0,1]=4 353 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,0,0,0|2,0,1]=4 354 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [0,1,0,0,0,0|1,1,1]=4 356 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [0,1,0,0,0,0|1,1,1]=4 357 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,1,0,0,0,0|1,1,1]=4 358 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,1,0,0,0,0|1,1,1]=4 359 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,1,0,0,0,0|1,0,2]=4 362 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [0,1,0,0,0,0|1,0,2]=4 363 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [0,1,0,0,0,0|1,0,2]=4 364 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,1,0,0,0,0|1,1,1]=4 367 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,1,0,0,0,0|1,1,1]=4 368 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,1,0,0,0,0|0,2,1]=4 369 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [0,1,0,0,0,0|1,1,1]=4 370 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [0,1,0,0,0,0|1,1,1]=4 371 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,1,0,0,0,0|1,1,1]=4 376 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,1,0,0,0,0|1,1,1]=4 380 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,1,0,0,0,0|1,1,1]=4 381 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [0,1,0,0,0,0|2,0,1]=4 384 B10R1.21 N#CCSCc1ncco1 62a_100011215382_103436540062 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.21 N#CCSCc1ncco1 62a_103436540062_100011215382 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.21 N#CSCSc1ccco1 62a_100000211825_100009814098 [0,1,0,0,0,0|1,0,1]=3 387 B10R1.21 N#CSCSc1ccco1 62a_100009814098_100000211825 [0,1,0,0,0,0|1,0,1]=3 388 B10R1.21 N#CSCSc1cccs1 62a_100000211825_100011215356 [0,1,0,0,0,0|1,1,1]=4 389 B10R1.21 N#CSCSc1cccs1 62a_100011215356_100000211825 [0,1,0,0,0,0|1,1,1]=4 390 B10R1.21 N#CSCSc1cnco1 62a_100000211825_100020591547 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.21 N#CSCSc1cnco1 62a_100020591547_100000211825 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.21 N#CSCSc1ncco1 62a_100000211825_100011787736 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.21 N#CSCSc1ncco1 62a_100011787736_100000211825 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,1,0,0,0,0|1,0,0]=2 395 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,1,0,0,0,0|1,0,0]=2 396 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,1,0,0,0,0|1,1,0]=3 397 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [0,1,0,0,0,0|2,1,0]=4 402 B10R1.21 O=CCNCc1cscn1 2230a_100015185402_200015260668 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.21 O=CCNCc1nccs1 2230a_100000740555_200015260668 [0,1,0,0,0,0|2,1,0]=4 405 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,1,0,0,0,0|0,1,0]=2 406 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,1,0,0,0,0|0,2,0]=3 407 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [0,1,0,0,0,0|1,1,0]=3 408 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [0,1,0,0,0,0|2,1,0]=4 409 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [0,1,0,0,0,0|2,1,0]=4 410 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [0,1,0,0,0,0|1,1,0]=3 411 B10R1.21 O=CCOCn1cccn1 34a_100000731028_200009817547 [0,1,0,0,0,0|2,1,0]=4 412 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.21 O=CCSCc1ccn[nH]1 62a_100000728653_200015260668 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.21 O=CCSCc1ccn[nH]1 62a_200015260668_100000728653 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.21 O=CCSCc1ccon1 62a_100000234950_200015260668 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.21 O=CCSCc1ccon1 62a_200015260668_100000234950 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [0,1,0,0,0,0|1,1,0]=3 421 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [0,1,0,0,0,0|1,1,0]=3 422 B10R1.21 O=CCSCc1cscn1 62a_100000205941_200015260668 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.21 O=CCSCc1cscn1 62a_200015260668_100000205941 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.21 O=CCSCc1ncc[nH]1 62a_100016991755_200015260668 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.21 O=CCSCc1ncc[nH]1 62a_200015260668_100016991755 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [0,1,0,0,0,0|1,0,0]=2 427 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [0,1,0,0,0,0|1,0,0]=2 428 B10R1.21 O=CCSCc1nccs1 62a_100015184050_200015260668 [0,1,0,0,0,0|1,1,0]=3 429 B10R1.21 O=CCSCc1nccs1 62a_200015260668_100015184050 [0,1,0,0,0,0|1,1,0]=3 430 B10R1.21 O=CCSCc1ncon1 62a_100000233494_200015260668 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.21 O=CCSCc1ncon1 62a_200015260668_100000233494 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.21 O=CCSCn1cncn1 62a_200015260668_200020645497 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.21 O=CCSCn1cncn1 62a_200020645497_200015260668 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,1,0,0,0,0|1,0,2]=4 435 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,1,0,0,0,0|1,0,2]=4 436 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,1,0,0,0,0|1,0,2]=4 437 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,1,0,0,0,0|1,0,2]=4 438 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,1,0,0,0,0|1,0,2]=4 439 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,1,0,0,0,0|1,0,2]=4 440 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,1,0,0,0,0|0,1,2]=4 441 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [0,1,0,0,0,0|1,0,2]=4 442 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [0,1,0,0,0,0|1,0,2]=4 443 B10R1.27 C=CC(=O)Cc1ncco1 1458a_100000185746_103436540062 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,0|2,0,1]=4 448 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,1,0,0,0,0|2,0,1]=4 449 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,1,0,0,0,0|2,0,1]=4 454 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [0,1,0,0,0,0|2,0,1]=4 455 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [0,1,0,0,0,0|1,1,1]=4 465 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [0,1,0,0,0,0|1,1,1]=4 466 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [0,1,0,0,0,0|1,1,1]=4 467 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [0,1,0,0,0,0|1,1,1]=4 468 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [0,1,0,0,0,0|2,1,0]=4 469 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [0,1,0,0,0,0|2,1,0]=4 470 B10R1.29 O=CCSc1sccc1Br 62a_100012361411_200015260668 [0,1,0,0,0,0|2,1,0]=4 471 B10R1.29 O=CCSc1sccc1Br 62a_200015260668_100012361411 [0,1,0,0,0,0|2,1,0]=4 472 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,1,0,0,0,0|3,0,0]=4 474 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,1,0,0,0,0|1,1,1]=4 477 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,1,0,0,0,0|2,0,0]=3 480 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,1,0,0,0,0|1,0,0]=2 481 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,1,0,0,0,0|1,1,0]=3 482 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,1,0,0,0,0|1,1,0]=3 483 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,1,0,0,0,0|2,1,0]=4 486 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,1,0,0,0,0|2,1,0]=4 488 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,1,0,0,0,0|2,0,0]=3 500 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,1,0,0,0,0|2,0,0]=3 501 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,1,0,0,0,0|1,0,0]=2 502 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,1,0,0,0,0|1,0,0]=2 503 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,1,0,0,0,0|1,0,0]=2 504 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,1,0,0,0,0|1,0,0]=2 505 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,1,0,0,0,0|1,1,0]=3 506 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,1,0,0,0,0|1,1,0]=3 507 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,1,0,0,0,0|1,1,0]=3 508 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,1,0,0,0,0|1,1,0]=3 509 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,1,0,0,0,0|3,0,0]=4 512 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,1,0,0,0,0|3,0,0]=4 518 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,1,0,0,0,0|3,0,0]=4 519 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,1,0,0,0,0|3,0,0]=4 520 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,1,0,0,0,0|2,0,0]=3 521 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,1,0,0,0,0|2,0,0]=3 522 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,1,0,0,0,0|2,1,0]=4 524 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,1,0,0,0,0|2,1,0]=4 525 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,1,0,0,0,0|2,1,0]=4 526 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,1,0,0,0,0|3,0,0]=4 528 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,1,0,0,0,0|3,0,0]=4 529 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,1,0,0,0,0|3,0,0]=4 530 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,1,0,0,0,0|3,0,0]=4 532 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,1,0,0,0,0|3,0,0]=4 533 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,1,0,0,0,0|3,0,0]=4 535 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,1,0,0,0,0|2,0,0]=3 537 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,1,0,0,0,0|2,0,0]=3 538 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,1,0,0,0,0|2,0,0]=3 539 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,1,0,0,0,0|2,0,0]=3 540 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,1,0,0,0,0|2,1,0]=4 541 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,1,0,0,0,0|2,1,0]=4 542 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,1,0,0,0,0|2,1,0]=4 543 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,1,0,0,0,0|2,1,0]=4 544 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,1,0,0,0,0|2,0,1]=4 545 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,1,0,0,0,0|2,0,1]=4 546 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,1,0,0,0,0|1,1,1]=4 548 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,1,0,0,0,0|2,0,1]=4 549 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,1,0,0,0,0|2,0,1]=4 550 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,1,0,0,0,0|2,0,0]=3 551 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,1,0,0,0,0|2,0,0]=3 552 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,1,0,0,0,0|2,1,0]=4 553 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,1,0,0,0,0|2,1,0]=4 554 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,1,0,0,0,0|2,0,0]=3 559 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,1,0,0,0,0|2,0,0]=3 560 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,1,0,0,0,0|2,1,0]=4 561 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,1,0,0,0,0|2,1,0]=4 562 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,1,0,0,0,0|3,0,0]=4 563 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,1,0,0,0,0|3,0,0]=4 564 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,1,0,0,0,0|1,1,1]=4 568 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,1,0,0,0,0|2,0,0]=3 570 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,1,0,0,0,0|1,0,0]=2 571 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,1,0,0,0,0|1,1,0]=3 572 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,1,0,0,0,0|2,1,0]=4 575 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,1,0,0,0,0|2,1,0]=4 577 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,0,1,0,0,0|2,0,1]=4 580 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,0,1,0,0,0|2,0,1]=4 581 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,0,1,0,0,0|2,0,1]=4 582 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,0,1,0,0,0|2,0,1]=4 583 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,1|2,0,1]=4 584 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,1|2,0,1]=4 585 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,1|2,0,1]=4 586 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,1|2,0,1]=4 587 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,1|2,0,1]=4 588 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,1|2,0,1]=4 589 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,0,0,0,0,1|2,0,1]=4 590 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,0,0,0,0,1|2,0,1]=4 591 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,1|2,0,1]=4 592 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,1|2,0,1]=4 593 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,0,0,0,0,1|2,0,1]=4 594 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,0,0,0,0,1|2,0,1]=4 595 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,0,0,0,0,1|2,0,1]=4 596 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,0,0,0,0,1|2,0,1]=4 597 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,1|2,0,1]=4 598 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,1|2,0,1]=4 599 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,1|2,0,1]=4 600 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,1|2,0,1]=4 601 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,1|2,0,1]=4 602 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,1|2,0,1]=4 603 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,0,0,0,0,1|2,0,1]=4 604 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,0,0,0,0,1|2,0,1]=4 605 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,1|2,0,1]=4 606 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,1|2,0,1]=4 607 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,0,0,0,0,1|2,0,1]=4 608 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,0,0,0,0,1|2,0,1]=4 609 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [0,0,0,0,0,1|2,0,1]=4 610 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [0,0,0,0,0,1|2,0,1]=4 611 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,1|3,0,0]=4 612 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,1|3,0,0]=4 613 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,1|3,0,0]=4 614 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,1|3,0,0]=4 615 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,1|3,0,0]=4 616 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,1|3,0,0]=4 617 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,1|3,0,0]=4 618 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,1|3,0,0]=4 619 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,1|3,0,0]=4 620 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,1|3,0,0]=4 621 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,1|3,0,0]=4 622 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,1|3,0,0]=4 623 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [0,0,0,0,0,1|3,0,0]=4 624 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [0,0,0,0,0,1|3,0,0]=4 625 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,1|3,0,0]=4 626 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,1|3,0,0]=4 627 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [0,0,0,0,0,1|3,0,0]=4 628 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [0,0,0,0,0,1|3,0,0]=4 629 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,0,0,0,1|3,0,0]=4 630 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,0,0,0,1|3,0,0]=4 631 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [0,0,0,0,0,1|3,0,0]=4 632 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [0,0,0,0,0,1|3,0,0]=4 633 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,1,0,0,0|1,0,1]=4 634 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,1,0,0,0|1,0,1]=4 635 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,1,0,0,0|1,0,1]=4 636 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,1,0,0,0|1,0,1]=4 637 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|0,0,1]=3 638 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|0,1,1]=4 639 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [2,0,0,0,0,0|1,0,1]=4 640 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [2,0,0,0,0,0|1,0,1]=4 641 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|0,0,1]=3 642 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|0,0,1]=3 643 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|0,1,1]=4 644 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|0,1,1]=4 645 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [2,0,0,0,0,0|1,0,1]=4 646 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [2,0,0,0,0,0|1,0,1]=4 647 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|1,0,1]=4 648 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|1,0,1]=4 649 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|0,0,1]=3 650 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|0,0,1]=3 651 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|0,1,1]=4 652 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|0,1,1]=4 653 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [2,0,0,0,0,0|1,0,1]=4 654 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [2,0,0,0,0,0|1,0,1]=4 655 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|1,0,1]=4 656 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|1,0,1]=4 657 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [0,1,1,0,0,0|1,0,0]=3 660 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [0,1,1,0,0,0|1,0,0]=3 661 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,1,1,0,0,0|0,0,2]=4 662 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [0,1,1,0,0,0|1,1,0]=4 663 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [1,1,0,0,0,0|0,1,1]=4 675 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [1,1,0,0,0,0|0,1,1]=4 676 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,1,0,0,0,0|0,1,1]=4 677 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,1,0,0,0,0|0,1,1]=4 678 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [1,1,0,0,0,0|0,1,1]=4 679 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [1,1,0,0,0,0|0,1,1]=4 680 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [1,1,0,0,0,0|0,1,1]=4 685 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [1,1,0,0,0,0|0,1,1]=4 686 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [1,1,0,0,0,0|0,1,1]=4 687 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [1,1,0,0,0,0|0,1,1]=4 688 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,1,0,0,0,0|0,1,1]=4 692 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,1,0,0,0,0|0,1,1]=4 693 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [1,1,0,0,0,0|1,0,1]=4 694 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [1,1,0,0,0,0|0,1,1]=4 695 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [1,1,0,0,0,0|0,1,1]=4 696 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [1,1,0,0,0,0|0,1,1]=4 697 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [1,1,0,0,0,0|0,1,1]=4 698 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [1,1,0,0,0,0|0,1,1]=4 701 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [1,1,0,0,0,0|0,1,1]=4 702 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [1,1,0,0,0,0|0,1,1]=4 703 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [1,1,0,0,0,0|0,1,1]=4 704 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,1,0,0,0,0|0,1,1]=4 706 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,1,0,0,0,0|0,1,1]=4 707 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,1,0,0,0,0|0,1,1]=4 709 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,1,0,0,0,0|0,1,1]=4 710 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,1,0,0,0,0|1,0,0]=3 714 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,1,0,0,0,0|0,0,0]=2 715 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,1,0,0,0,0|0,1,0]=3 716 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [1,1,0,0,0,0|1,1,0]=4 723 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,1,0,0,0,0|1,0,0]=3 726 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,1,0,0,0,0|1,1,0]=4 727 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,1,0,0,0,0|1,0,1]=4 730 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,1,0,0,0,0|1,0,1]=4 731 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,1,0,0,0,0|1,0,1]=4 732 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,1,0,0,0,0|1,0,1]=4 734 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,1,0,0,0,0|1,0,1]=4 735 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,1,0,0,0,0|1,0,1]=4 736 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,1,0,0,0,0|1,0,0]=3 738 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,1,0,0,0,0|0,0,0]=2 739 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,1,0,0,0,0|0,1,0]=3 740 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [1,1,0,0,0,0|1,0,1]=4 747 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [1,1,0,0,0,0|1,0,1]=4 748 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [1,1,0,0,0,0|1,0,1]=4 749 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [1,1,0,0,0,0|0,1,1]=4 750 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [1,1,0,0,0,0|0,1,1]=4 751 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [1,1,0,0,0,0|0,1,1]=4 752 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [1,1,0,0,0,0|0,1,1]=4 753 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.28 C=CCSCc1cccnn1 62a_100000210623_100016990269 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.28 C=CCSCc1cccnn1 62a_100016990269_100000210623 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.28 C=CCSCc1cnccn1 62a_100000210623_100016995436 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.28 C=CCSCc1cnccn1 62a_100016995436_100000210623 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.28 C=CCSCc1ncccn1 62a_100000210623_100000703007 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.28 C=CCSCc1ncccn1 62a_100000703007_100000210623 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,1|1,1,0]=4 776 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,1|1,1,0]=4 777 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,1|1,0,0]=3 778 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,1|1,0,0]=3 779 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,1|1,0,0]=3 780 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,1|1,0,0]=3 781 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,1,0,0,0,1|1,0,0]=3 782 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,1,0,0,0,1|1,0,0]=3 783 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [0,1,0,0,0,1|1,0,0]=3 784 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [0,1,0,0,0,1|1,0,0]=3 785 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,1,0,0,0,1|1,0,0]=3 786 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,1,0,0,0,1|1,0,0]=3 787 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [0,1,0,0,0,1|1,0,0]=3 788 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [0,1,0,0,0,1|1,0,0]=3 789 B11R1.28 O=CCSCc1cncnc1 62a_100015196519_200015260668 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.28 O=CCSCc1cncnc1 62a_200015260668_100015196519 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [0,1,0,0,0,1|1,0,0]=3 792 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [0,1,0,0,0,1|1,0,0]=3 793 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,1|2,0,0]=4 800 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,1,0,0,0,1|2,0,0]=4 808 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.2 C=CCC(OC)c1ccco1 34a_100011729935_200000210301 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.2 C=CCC(OC)c1ccco1 7a_100011729935_200000210301 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.2 C=CCC(O[13CH3])c1ccco1 34a_100011729935_200025704644 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.2 C=CCC(O[13CH3])c1ccco1 7a_100011729935_200025704644 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.29 C=CCN[C@H](C)c1ccco1 2230a_100160469435_100000210623 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.29 C=CCO[C@@H](C)c1ccco1 34a_100000755270_100015514636 [0,2,0,0,0,0|1,1,0]=4 838 B11R1.29 C=CCO[C@@H](C)c1ccco1 7a_100000755270_100015514636 [0,2,0,0,0,0|1,1,0]=4 839 B11R1.29 CC(NCC=O)c1cccs1 2230a_100000703493_200015260668 [0,2,0,0,0,0|1,1,0]=4 840 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.29 C[C@@H](OCC=O)c1cccs1 7a_100000750433_200015260668 [0,2,0,0,0,0|0,2,0]=4 844 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [0,2,0,0,0,0|0,1,0]=3 845 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [0,2,0,0,0,0|0,1,0]=3 846 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,2,0,0,0,0|1,0,1]=4 849 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,2,0,0,0,0|1,1,0]=4 850 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,2,0,0,0,0|1,1,0]=4 851 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,2,0,0,0,0|1,1,0]=4 852 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,2,0,0,0,0|1,1,0]=4 853 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.27 C=CCNCc1cc(co1)Br 270004a_100020586998_100000747035 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.27 C=CCNCc1ccc(o1)Br 270004a_100020586998_100000185145 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.27 C=CCNCc1ccc(o1)Br 34a_100000708654_100015514636 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.27 C=CCNCc1ccc(o1)C 270004a_100020586998_100000183696 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.27 C=CCNCc1ccc(o1)C 34a_100011194323_100015514636 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.27 C=CCNCc1ccc(o1)Cl 270004a_100020586998_100000188459 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.27 C=CCOCc1ccc(o1)Br 34a_100000246276_100015514636 [0,2,0,0,0,0|1,1,0]=4 864 B11R1.27 C=CCOCc1ccc(o1)Br 7a_100000246276_100015514636 [0,2,0,0,0,0|1,1,0]=4 865 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [0,2,0,0,0,0|1,1,0]=4 866 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [0,2,0,0,0,0|1,1,0]=4 867 B11R1.27 C=CCSCc1cc(cs1)Br 62a_100000210623_100000746031 [0,2,0,0,0,0|1,1,0]=4 868 B11R1.27 C=CCSCc1cc(cs1)Br 62a_100000746031_100000210623 [0,2,0,0,0,0|1,1,0]=4 869 B11R1.27 C=CCSCc1cc(no1)Br 62a_100000210623_100000709089 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.27 C=CCSCc1cc(no1)Br 62a_100000709089_100000210623 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.27 C=CCSCc1cc(no1)C 62a_100000210623_100000707947 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.27 C=CCSCc1cc(no1)C 62a_100000707947_100000210623 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.27 C=CCSCc1ccc(s1)Br 62a_100000210623_100000708592 [0,2,0,0,0,0|1,1,0]=4 874 B11R1.27 C=CCSCc1ccc(s1)Br 62a_100000708592_100000210623 [0,2,0,0,0,0|1,1,0]=4 875 B11R1.27 C=CCSCc1ccc(s1)Cl 62a_100000185097_100000210623 [0,2,0,0,0,0|1,1,0]=4 876 B11R1.27 C=CCSCc1ccc(s1)Cl 62a_100000210623_100000185097 [0,2,0,0,0,0|1,1,0]=4 877 B11R1.27 Cc1cc(no1)CSCC=O 62a_100000199038_200015260668 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.27 Cc1cc(no1)CSCC=O 62a_200015260668_100000199038 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.27 Cc1cc(on1)CNCC=O 2230a_100000745748_200015260668 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.27 Cc1cc(on1)CNCC=O 34a_100000745748_200009817547 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.27 Cc1cc(on1)COCC=O 34a_100000684692_200009817547 [0,2,0,0,0,0|1,1,0]=4 882 B11R1.27 Cc1cc(on1)CSCC=O 62a_100000707947_200015260668 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.27 Cc1cc(on1)CSCC=O 62a_200015260668_100000707947 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [0,2,0,0,0,0|1,0,0]=3 885 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [0,2,0,0,0,0|0,1,0]=3 886 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [0,2,0,0,0,0|0,1,0]=3 887 B11R1.27 Cc1ccc(s1)CNCC=O 2230a_100000238518_200015260668 [0,2,0,0,0,0|1,1,0]=4 888 B11R1.27 Cc1ccc(s1)COCC=O 34a_100000238367_200009817547 [0,2,0,0,0,0|0,2,0]=4 889 B11R1.27 Cc1cnc(o1)CNCC=O 2230a_100138411809_200015260668 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.27 Cc1cnc(o1)CNCC=O 34a_100138411809_200009817547 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.27 Cc1csc(c1)CNCC=O 2230a_100015204214_200015260668 [0,2,0,0,0,0|1,1,0]=4 892 B11R1.27 Cc1csc(c1)CNCC=O 34a_100015204214_200009817547 [0,2,0,0,0,0|1,1,0]=4 893 B11R1.27 Cc1csc(c1)COCC=O 34a_200000068372_200009817547 [0,2,0,0,0,0|0,2,0]=4 894 B11R1.27 Cc1csc(c1)COCC=O 7a_200000068372_200015260668 [0,2,0,0,0,0|0,2,0]=4 895 B11R1.27 Cc1nc(cs1)CSCC=O 62a_100015186478_200015260668 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.27 Cc1nc(cs1)CSCC=O 62a_200015260668_100015186478 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.27 Cc1ncc(s1)CSCC=O 62a_100020635045_200015260668 [0,2,0,0,0,0|1,1,0]=4 898 B11R1.27 Cc1ncc(s1)CSCC=O 62a_200015260668_100020635045 [0,2,0,0,0,0|1,1,0]=4 899 B11R1.27 Cc1nnc(o1)CSCC=O 62a_100000181450_200015260668 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.27 Cc1nnc(o1)CSCC=O 62a_200015260668_100000181450 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.27 Cc1noc(n1)CSCC=O 62a_100000735555_200015260668 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.27 Cc1noc(n1)CSCC=O 62a_200015260668_100000735555 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.27 Cn1ccc(n1)CSCC=O 62a_100000726502_200015260668 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.27 Cn1ccc(n1)CSCC=O 62a_200015260668_100000726502 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.27 Cn1cnc(c1)CSCC=O 62a_100000717665_200015260668 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.27 Cn1cnc(c1)CSCC=O 62a_200015260668_100000717665 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.27 O=CCNCc1cc(cs1)Br 2230a_100000741024_200015260668 [0,2,0,0,0,0|1,1,0]=4 908 B11R1.27 O=CCNCc1cc(cs1)Br 34a_100000741024_200009817547 [0,2,0,0,0,0|1,1,0]=4 909 B11R1.27 O=CCNCc1cc(no1)Br 2230a_100015193020_200015260668 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.27 O=CCNCc1cc(no1)Br 34a_100015193020_200009817547 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.27 O=CCNCc1ccc(s1)Cl 2230a_100000737310_200015260668 [0,2,0,0,0,0|1,1,0]=4 913 B11R1.27 O=CCOCc1cc(cs1)Br 34a_100000238369_200009817547 [0,2,0,0,0,0|0,2,0]=4 914 B11R1.27 O=CCOCc1cc(cs1)Br 7a_100000238369_200015260668 [0,2,0,0,0,0|0,2,0]=4 915 B11R1.27 O=CCOCc1cc(no1)Br 34a_100009816691_200009817547 [0,2,0,0,0,0|1,1,0]=4 916 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [0,2,0,0,0,0|0,1,0]=3 917 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [0,2,0,0,0,0|0,1,0]=3 918 B11R1.27 O=CCSCC1=CC(=O)OC1 62a_100000716558_200015260668 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.27 O=CCSCC1=CC(=O)OC1 62a_200015260668_100000716558 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.27 O=CCSCc1cc(cs1)Br 62a_100000746031_200015260668 [0,2,0,0,0,0|0,1,0]=3 921 B11R1.27 O=CCSCc1cc(cs1)Br 62a_200015260668_100000746031 [0,2,0,0,0,0|0,1,0]=3 922 B11R1.27 O=CCSCc1cc(no1)Br 62a_100000709089_200015260668 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.27 O=CCSCc1cc(no1)Br 62a_200015260668_100000709089 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.27 O=CCSCc1ccc(s1)Br 62a_100000708592_200015260668 [0,2,0,0,0,0|0,1,0]=3 925 B11R1.27 O=CCSCc1ccc(s1)Br 62a_200015260668_100000708592 [0,2,0,0,0,0|0,1,0]=3 926 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_100000185097_200015260668 [0,2,0,0,0,0|0,1,0]=3 927 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_200015260668_100000185097 [0,2,0,0,0,0|0,1,0]=3 928 B11R1.27 O=CCSCc1cnc(s1)Br 62a_100000717027_200015260668 [0,2,0,0,0,0|1,1,0]=4 929 B11R1.27 O=CCSCc1cnc(s1)Br 62a_200015260668_100000717027 [0,2,0,0,0,0|1,1,0]=4 930 B11R1.27 O=CCSCc1cnc(s1)Cl 62a_100000058068_200015260668 [0,2,0,0,0,0|1,1,0]=4 931 B11R1.27 O=CCSCc1cnc(s1)Cl 62a_200015260668_100000058068 [0,2,0,0,0,0|1,1,0]=4 932 B11R1.27 O=CCSCc1csc(n1)Cl 62a_100000024076_200015260668 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.27 O=CCSCc1csc(n1)Cl 62a_200015260668_100000024076 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,2,0,0,0,0|1,0,1]=4 935 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,2,0,0,0,0|1,0,1]=4 936 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,2,0,0,0,0|1,1,0]=4 939 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,2,0,0,0,0|1,1,0]=4 940 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,2,0,0,0,0|1,1,0]=4 941 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,2,0,0,0,0|1,1,0]=4 942 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,2,0,0,0,0|1,1,0]=4 943 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,2,0,0,0,0|1,1,0]=4 944 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,2,0,0,0,0|1,1,0]=4 945 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,2,0,0,0,0|1,1,0]=4 946 B11R1.75 CC(=O)NCc1cc(no1)Br 11a_100015193020_100015343762 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.75 CC(=O)NCc1cc(no1)Br 240690a_100015193020_100015343762 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.75 CC(=O)NCc1cc(no1)Br 527a_100015193020_100103153847 [0,2,0,0,0,0|2,0,0]=4 949 B11R1.75 CC(=O)NCc1cc(no1)C 11a_100000745748_100015343762 [0,2,0,0,0,0|2,0,0]=4 950 B11R1.75 CC(=O)NCc1cc(no1)C 240690a_100000745748_100015343762 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.75 CC(=O)NCc1cc(no1)C 527a_100000745748_100103153847 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,2,0,0,0,0|1,0,0]=3 953 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,2,0,0,0,0|1,0,0]=3 955 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,2,0,0,0,0|1,0,0]=3 956 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,2,0,0,0,0|1,0,0]=3 959 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,2,0,0,0,0|1,1,0]=4 961 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,2,0,0,0,0|1,1,0]=4 962 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,2,0,0,0,0|1,1,0]=4 963 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,2,0,0,0,0|1,1,0]=4 964 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,2,0,0,0,0|1,1,0]=4 965 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,2,0,0,0,0|1,1,0]=4 966 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,2,0,0,0,0|1,1,0]=4 967 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,2,0,0,0,0|1,1,0]=4 968 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,2,0,0,0,0|1,1,0]=4 969 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,2,0,0,0,0|1,1,0]=4 970 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,2,0,0,0,0|1,1,0]=4 971 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,2,0,0,0,0|1,1,0]=4 972 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.75 CC(=O)SCc1nc(no1)C 270196a_100000212224_100000049016 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,2,0,0,0,0|1,0,1]=4 978 B11R1.75 Cc1noc(n1)CSC(=O)N 270196a_100000212224_200015941356 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,2,0,0,0,0|1,0,1]=4 980 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,2,0,0,0,0|1,0,1]=4 981 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.214 CCSCc1ccc(o1)C#N 62a_100000210202_100009822536 [0,2,0,0,0,0|1,0,1]=4 983 B11R1.214 CCSCc1ccc(o1)C=O 62a_100000210202_200000079136 [0,2,0,0,0,0|1,0,1]=4 984 B11R1.214 N#Cc1ccc(o1)CSCF 62a_100015361967_100009822536 [0,2,0,0,0,0|1,0,1]=4 985 B11R1.214 N#Cc1ccc(o1)SCC=O 62a_200015260668_100000764468 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.214 NCc1ccc(o1)SCC=O 62a_200015260668_100000708654 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.214 O=CCSc1ccc(o1)C=O 62a_200015260668_100000186757 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.214 O=CCSc1ccc(o1)CO 62a_100000246276_200015260668 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.214 O=CCSc1ccc(o1)CO 62a_200015260668_100000246276 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.214 O=Cc1ccc(o1)CSCF 62a_100015361967_200000079136 [0,2,0,0,0,0|1,0,1]=4 991 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [0,2,0,0,0,0|1,1,0]=4 993 B11R1.4 C/C=C/CSCc1ncco1 62a_100102629194_103436540062 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.4 C/C=C/CSCc1ncco1 62a_103436540062_100102629194 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [0,2,0,0,0,0|1,1,0]=4 1002 B11R1.4 C=CCCSCc1ncco1 62a_100000754431_103436540062 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.4 C=CCCSCc1ncco1 62a_103436540062_100000754431 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.4 C=CCSCCc1cccs1 62a_100000210623_100000748579 [0,2,0,0,0,0|1,1,0]=4 1007 B11R1.4 C=CCSCCc1cccs1 62a_100000748579_100000210623 [0,2,0,0,0,0|1,1,0]=4 1008 B11R1.4 C=COCCSc1ccco1 62a_100000039644_100009814098 [0,2,0,0,0,0|1,1,0]=4 1009 B11R1.4 C=COCCSc1ccco1 62a_100009814098_100000039644 [0,2,0,0,0,0|1,1,0]=4 1010 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [0,2,0,0,0,0|1,1,0]=4 1015 B11R1.4 CC=CCSCc1ncco1 62a_100000070051_103436540062 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.4 CC=CCSCc1ncco1 62a_103436540062_100000070051 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [0,2,0,0,0,0|1,0,1]=4 1018 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [0,2,0,0,0,0|1,0,1]=4 1019 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [0,2,0,0,0,0|1,0,1]=4 1020 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [0,2,0,0,0,0|1,0,1]=4 1021 B11R1.4 N#CSCCSc1ccco1 62a_100000034367_100009814098 [0,2,0,0,0,0|1,0,1]=4 1022 B11R1.4 N#CSCCSc1ccco1 62a_100009814098_100000034367 [0,2,0,0,0,0|1,0,1]=4 1023 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [0,2,0,0,0,0|1,0,0]=3 1024 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [0,2,0,0,0,0|1,0,0]=3 1025 B11R1.4 O=CCCCSc1cccs1 62a_100011215356_200011292268 [0,2,0,0,0,0|1,1,0]=4 1026 B11R1.4 O=CCCCSc1cccs1 62a_200011292268_100011215356 [0,2,0,0,0,0|1,1,0]=4 1027 B11R1.4 O=CCCCSc1cnco1 62a_100020591547_200011292268 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.4 O=CCCCSc1cnco1 62a_200011292268_100020591547 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.4 O=CCCCSc1ncco1 62a_100011787736_200011292268 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.4 O=CCCCSc1ncco1 62a_200011292268_100011787736 [0,2,0,0,0,0|2,0,0]=4 1031 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.4 O=CCNCCc1cccs1 2230a_100000203755_200015260668 [0,2,0,0,0,0|1,1,0]=4 1034 B11R1.4 O=CCNCCc1cccs1 34a_100000203755_200009817547 [0,2,0,0,0,0|1,1,0]=4 1035 B11R1.4 O=CCOCCc1cccs1 34a_100011216825_200009817547 [0,2,0,0,0,0|0,2,0]=4 1036 B11R1.4 O=CCOCCc1cccs1 7a_100011216825_200015260668 [0,2,0,0,0,0|0,2,0]=4 1037 B11R1.4 O=CCSCCc1c[nH]cn1 62a_100020628418_200015260668 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.4 O=CCSCCc1c[nH]cn1 62a_200015260668_100020628418 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.4 O=CCSCCc1cccs1 62a_100000748579_200015260668 [0,2,0,0,0,0|0,1,0]=3 1040 B11R1.4 O=CCSCCc1cccs1 62a_200015260668_100000748579 [0,2,0,0,0,0|0,1,0]=3 1041 B11R1.4 O=CCSCCn1cccc1 62a_200009811947_200015260668 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.4 O=CCSCCn1cccc1 62a_200015260668_200000035178 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.4 O=CCSCCn1cccn1 62a_100015204718_200015260668 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.4 O=CCSCCn1cccn1 62a_200015260668_100000685285 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [0,2,0,0,0,0|1,0,1]=4 1046 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [0,2,0,0,0,0|1,0,1]=4 1047 B11R1.25 C#CC(=O)CCc1cccs1 1458a_100000211873_100000748579 [0,2,0,0,0,0|1,1,0]=4 1048 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [0,2,0,0,0,0|1,1,0]=4 1049 B11R1.25 C=CC(=O)NCc1ccc[nH]1 240690a_100000764082_200121576911 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.25 C=CC(=O)NCc1cccs1 1626a_100000211653_100000185746 [0,2,0,0,0,0|1,1,0]=4 1053 B11R1.25 C=CC(=O)NCc1cccs1 240690a_100000211653_200121576911 [0,2,0,0,0,0|1,1,0]=4 1054 B11R1.25 C=CC(=O)NCc1cnco1 240690a_100020634212_200121576911 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.25 C=CC(=O)NCc1ncco1 1626a_100016994969_100000185746 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.25 C=CC(=O)NCc1ncco1 240690a_100016994969_200121576911 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.25 C=CC(C)SCc1ncco1 62a_100011215867_103436540062 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.25 C=CC(O)CSc1ccco1 62a_100000730141_100009814098 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.25 C=CC(O)CSc1ccco1 62a_100009814098_100000730141 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,2,0,0,0,0|1,1,0]=4 1063 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,2,0,0,0,0|1,1,0]=4 1064 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,2,0,0,0,0|2,0,0]=4 1068 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 1071 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 1072 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 1073 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 1074 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 1075 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 1076 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 1077 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 1083 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,2,0,0,0,0|2,0,0]=4 1085 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,2,0,0,0,0|1,0,0]=3 1088 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,2,0,0,0,0|1,0,0]=3 1089 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,2,0,0,0,0|1,1,0]=4 1091 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,2,0,0,0,0|1,1,0]=4 1092 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,2,0,0,0,0|1,1,0]=4 1093 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,2,0,0,0,0|1,1,0]=4 1094 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,2,0,0,0,0|1,0,0]=3 1101 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,2,0,0,0,0|1,0,0]=3 1102 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,2,0,0,0,0|1,0,0]=3 1103 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,2,0,0,0,0|1,0,0]=3 1104 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,2,0,0,0,0|1,1,0]=4 1105 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,2,0,0,0,0|1,1,0]=4 1106 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,2,0,0,0,0|1,1,0]=4 1107 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,2,0,0,0,0|1,1,0]=4 1108 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,2,0,0,0,0|1,1,0]=4 1109 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,2,0,0,0,0|1,1,0]=4 1110 B11R1.25 CNC(=O)NCc1cnco1 2708a_100020634212_106832991635 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.25 CNC(=O)NCc1cnco1 2708a_100102657272_100020634212 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.25 CNC(=O)NCc1cnco1 273464a_100020634212_100102657272 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.25 CNC(=O)NCc1cnco1 273464a_100102657272_100020634212 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.25 CNC(=O)NCc1cnco1 512a_100020634212_100102657272 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.25 CNC(=O)NCc1cnco1 512a_106832991638_100020634212 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,2,0,0,0,0|2,0,0]=4 1125 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,2,0,0,0,0|1,1,0]=4 1127 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,2,0,0,0,0|1,1,0]=4 1128 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,2,0,0,0,0|1,0,0]=3 1132 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,2,0,0,0,0|1,1,0]=4 1133 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,2,0,0,0,0|1,1,0]=4 1134 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,2,0,0,0,0|1,0,0]=3 1144 B11R1.30 CN(CC=O)Cc1cccs1 2230a_100000184426_200015260668 [0,2,0,0,0,0|1,1,0]=4 1145 B11R1.30 CN(CC=O)Cc1cccs1 269982a_100000184426_200015260668 [0,2,0,0,0,0|1,1,0]=4 1146 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,2,0,0,0,0|1,1,0]=4 1151 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,2,0,0,0,0|1,1,0]=4 1156 B11R1.172 C=C(F)CSCc1ncco1 62a_100000042424_103436540062 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.172 C=C(F)CSCc1ncco1 62a_103436540062_100000042424 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,2,0,0,0,0|1,1,0]=4 1161 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,2,0,0,0,0|1,1,0]=4 1162 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,2,0,0,0,0|1,1,0]=4 1165 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,2,0,0,0,0|1,1,0]=4 1166 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,2,0,0,0,0|1,1,0]=4 1171 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,2,0,0,0,0|1,0,0]=3 1172 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,2,0,0,0,0|1,0,0]=3 1173 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,2,0,0,0,0|1,0,0]=3 1174 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,2,0,0,0,0|1,0,0]=3 1175 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,2,0,0,0,0|1,1,0]=4 1176 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,2,0,0,0,0|1,1,0]=4 1177 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,2,0,0,0,0|1,1,0]=4 1178 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,2,0,0,0,0|1,1,0]=4 1179 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,2,0,0,0,0|1,0,1]=4 1180 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,2,0,0,0,0|0,1,0]=3 1181 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,2,0,0,0,0|0,1,0]=3 1182 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,2,0,0,0,0|0,2,0]=4 1183 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,2,0,0,0,0|0,2,0]=4 1184 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,2,0,0,0,0|1,1,0]=4 1185 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,2,0,0,0,0|1,1,0]=4 1186 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,2,0,0,0,0|1,1,0]=4 1187 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,2,0,0,0,0|1,1,0]=4 1188 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,2,0,0,0,0|1,0,0]=3 1189 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,2,0,0,0,0|1,0,0]=3 1190 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,2,0,0,0,0|1,1,0]=4 1191 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,2,0,0,0,0|1,1,0]=4 1192 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,2,0,0,0,0|1,0,0]=3 1197 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,2,0,0,0,0|1,0,0]=3 1198 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,2,0,0,0,0|1,1,0]=4 1199 B11R1.172 NC(=O)CNCc1ncco1 2230a_100000711301_103436540062 [0,2,0,0,0,0|2,0,0]=4 1200 B11R1.172 NC(=O)CNCc1ncco1 2230a_100016994969_100000747473 [0,2,0,0,0,0|2,0,0]=4 1201 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,2,0,0,0,0|0,1,0]=3 1202 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,2,0,0,0,0|0,2,0]=4 1203 B11R1.172 NC(=O)COCc1ccno1 34a_100000740478_100000187820 [0,2,0,0,0,0|1,1,0]=4 1204 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,2,0,0,0,0|1,1,0]=4 1205 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747473 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000747473_100000707719 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747473 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000747473_100000728653 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.172 NC(=O)CSCc1ccon1 62a_100000234950_100000747473 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.172 NC(=O)CSCc1ccon1 62a_100000747473_100000234950 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.172 NC(=O)CSCc1ccsc1 62a_100000747473_100011233845 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.172 NC(=O)CSCc1ccsc1 62a_100011261437_100000747473 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [0,2,0,0,0,0|1,1,0]=4 1214 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [0,2,0,0,0,0|1,1,0]=4 1215 B11R1.172 NC(=O)CSCc1cscn1 62a_100000205941_100000747473 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.172 NC(=O)CSCc1cscn1 62a_100000747473_100000205941 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100000747473_100016991755 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747473 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [0,2,0,0,0,0|1,0,0]=3 1220 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [0,2,0,0,0,0|1,0,0]=3 1221 B11R1.172 NC(=O)CSCc1nccs1 62a_100000747473_100015184050 [0,2,0,0,0,0|1,1,0]=4 1222 B11R1.172 NC(=O)CSCc1nccs1 62a_100015184050_100000747473 [0,2,0,0,0,0|1,1,0]=4 1223 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,2,0,0,0,0|1,0,0]=3 1225 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,2,0,0,0,0|0,1,0]=3 1226 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,2,0,0,0,0|0,2,0]=4 1227 B11R1.172 O=C([O-])COCc1ccno1 34a_100000740478_100020667443 [0,2,0,0,0,0|1,1,0]=4 1228 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,2,0,0,0,0|1,1,0]=4 1229 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100000707719_100020667443 [0,2,0,0,0,0|2,0,0]=4 1230 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100020667443_100000707719 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100000728653_100020667443 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100020667443_100000728653 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.172 O=C([O-])CSCc1ccon1 62a_100000234950_100020667443 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.172 O=C([O-])CSCc1ccon1 62a_100020667443_100000234950 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100011261437_100020667443 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100020667443_100011233845 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [0,2,0,0,0,0|1,1,0]=4 1238 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [0,2,0,0,0,0|1,1,0]=4 1239 B11R1.172 O=C([O-])CSCc1cscn1 62a_100000205941_100020667443 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.172 O=C([O-])CSCc1cscn1 62a_100020667443_100000205941 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100016991755_100020667443 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100020667443_100016991755 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [0,2,0,0,0,0|1,0,0]=3 1244 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [0,2,0,0,0,0|1,0,0]=3 1245 B11R1.172 O=C([O-])CSCc1nccs1 62a_100015184050_100020667443 [0,2,0,0,0,0|1,1,0]=4 1246 B11R1.172 O=C([O-])CSCc1nccs1 62a_100020667443_100015184050 [0,2,0,0,0,0|1,1,0]=4 1247 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,2,0,0,0,0|1,0,1]=4 1248 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,2,0,0,0,0|0,1,1]=4 1249 B11R1.172 O=[N+]([O-])CSCc1ncco1 62a_103436540062_100000761209 [0,2,0,0,0,0|1,0,1]=4 1250 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,2,0,0,0,0|1,1,0]=4 1251 B11R1.180 C=CCNCc1occc1Br 270004a_100020586998_100000756499 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.180 C=CCNCc1occc1C 270004a_100020586998_100000763527 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.180 C=CCOCc1occc1C 34a_100011273948_100015514636 [0,2,0,0,0,0|1,1,0]=4 1254 B11R1.180 C=CCOCc1occc1C 7a_100011273948_100015514636 [0,2,0,0,0,0|1,1,0]=4 1255 B11R1.180 Cc1[nH]cnc1CSCC=O 62a_100000751220_200015260668 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.180 Cc1[nH]cnc1CSCC=O 62a_200015260668_100000751220 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [0,2,0,0,0,0|0,1,0]=3 1258 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [0,2,0,0,0,0|0,1,0]=3 1259 B11R1.180 Cc1ccsc1CNCC=O 2230a_100000238519_200015260668 [0,2,0,0,0,0|1,1,0]=4 1260 B11R1.180 Cc1ccsc1CNCC=O 34a_100000238519_200009817547 [0,2,0,0,0,0|1,1,0]=4 1261 B11R1.180 Cc1ccsc1COCC=O 34a_100000238368_200009817547 [0,2,0,0,0,0|0,2,0]=4 1262 B11R1.180 Cc1ccsc1COCC=O 7a_100000238368_200015260668 [0,2,0,0,0,0|0,2,0]=4 1263 B11R1.180 Cc1cnoc1COCC=O 34a_200011065769_200009817547 [0,2,0,0,0,0|1,1,0]=4 1264 B11R1.180 Cc1ncoc1COCC=O 34a_100000717716_200009817547 [0,2,0,0,0,0|1,1,0]=4 1265 B11R1.180 Cc1ncoc1COCC=O 7a_100000717716_200015260668 [0,2,0,0,0,0|1,1,0]=4 1266 B11R1.180 Cc1ocnc1CSCC=O 62a_200000693990_200015260668 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.180 Cc1ocnc1CSCC=O 62a_200015260668_200000693990 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.180 Cn1cccc1CNCC=O 34a_100011219357_200009817547 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.180 Cn1ccnc1CSCC=O 62a_100000700302_200015260668 [0,2,0,0,0,0|2,0,0]=4 1270 B11R1.180 Cn1ccnc1CSCC=O 62a_200015260668_100000700302 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.180 Cn1nccc1CSCC=O 62a_100000691648_200015260668 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.180 Cn1nccc1CSCC=O 62a_200015260668_100000691648 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.180 O=CCNCc1sccc1Cl 2230a_100011934584_200015260668 [0,2,0,0,0,0|1,1,0]=4 1274 B11R1.180 O=CCNCc1sccc1Cl 34a_100011934584_200009817547 [0,2,0,0,0,0|1,1,0]=4 1275 B11R1.180 O=CCOCc1sccc1Br 34a_100000702026_200009817547 [0,2,0,0,0,0|0,2,0]=4 1276 B11R1.180 O=CCOCc1sccc1Cl 34a_100000722387_200009817547 [0,2,0,0,0,0|0,2,0]=4 1277 B11R1.180 O=CCOCc1sccc1Cl 7a_100000722387_200015260668 [0,2,0,0,0,0|0,2,0]=4 1278 B11R1.180 O=CCSCc1ccsc1Br 62a_100009814289_200015260668 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.180 O=CCSCc1ccsc1Br 62a_200015260668_100009814289 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.180 O=CCSCc1ccsc1Cl 62a_100010167017_200015260668 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.180 O=CCSCc1ccsc1Cl 62a_200015260668_100010167017 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,2,0,0,0,0|1,0,1]=4 1283 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,2,0,0,0,0|1,0,1]=4 1284 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,2,0,0,0,0|1,0,0]=3 1287 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,2,0,0,0,0|1,0,0]=3 1288 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,2,0,0,0,0|1,0,0]=3 1289 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,2,0,0,0,0|1,1,0]=4 1290 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,2,0,0,0,0|1,1,0]=4 1291 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,2,0,0,0,0|1,1,0]=4 1292 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.84 O=CC(C=O)Sc1ccco1 62a_100000736813_100009814098 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.84 O=CC(C=O)Sc1ccco1 62a_100009814098_100000736813 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,2,0,0,0,0|1,1,0]=4 1305 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,2,0,0,0,0|1,1,0]=4 1306 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,2,0,0,0,0|1,1,0]=4 1307 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,2,0,0,0,0|1,1,0]=4 1308 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,2,0,0,0,0|1,1,0]=4 1309 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,2,0,0,0,0|1,1,0]=4 1310 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,2,0,0,0,0|1,1,0]=4 1311 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,2,0,0,0,0|1,1,0]=4 1312 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,2,0,0,0,0|2,0,0]=4 1313 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [0,0,1,1,0,0|1,0,1]=4 1314 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [0,0,1,1,0,0|2,0,0]=4 1315 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [1,0,0,1,0,0|1,0,1]=4 1316 B11R2.2 c1coc(c1)c2cccs2 271570a_100000742291_100009814098 [0,1,0,1,0,0|1,0,1]=4 1317 B11R2.2 c1coc(c1)c2cccs2 271570a_100000750936_100011215356 [0,1,0,1,0,0|1,0,1]=4 1318 B11R2.2 c1coc(c1)c2ccsc2 271570a_100000750936_100000738268 [0,1,0,1,0,0|1,0,1]=4 1319 B11R2.2 c1coc(c1)c2ccsc2 271570a_100011934443_100009814098 [0,1,0,1,0,0|1,0,1]=4 1320 B11R2.2 c1coc(c1)c2ccsn2 271570a_100000750936_100009818082 [0,1,0,1,0,0|1,0,1]=4 1321 B11R2.2 c1coc(c1)c2cncs2 271570a_100000750936_100011934649 [0,1,0,1,0,0|1,0,1]=4 1322 B11R2.2 c1coc(c1)c2cncs2 271570a_100010231675_100009814098 [0,1,0,1,0,0|1,0,1]=4 1323 B11R2.2 c1coc(c1)c2cscn2 271570a_100000750936_100000751502 [0,1,0,1,0,0|1,0,1]=4 1324 B11R2.2 c1coc(c1)c2nccs2 271570a_100000750936_100000211983 [0,1,0,1,0,0|1,0,1]=4 1325 B11R2.2 c1coc(c1)c2ncns2 271570a_100000750936_100000693119 [0,1,0,1,0,0|1,0,1]=4 1326 B11R2.2 c1coc(c1)c2nncs2 271570a_100000750936_100000739804 [0,1,0,1,0,0|1,0,1]=4