0 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,0,0,0,0,0|1,1,2]=4 1 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.8 C=C=Cc1cncs1 271570a_100015277604_100011934649 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,0,0,0,0,0|1,1,2]=4 5 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,0,0,0,0,0|2,1,0]=3 18 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,0,0,0,0,0|3,1,0]=4 31 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,0,0,0,0,0|3,1,0]=4 38 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,0,0,0,0,0|3,1,0]=4 39 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,0,0,0,0,0|2,1,0]=3 50 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,0,0,0,0,0|2,1,0]=3 51 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,0,0,0,0,0|2,1,0]=3 52 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,0,0,0,0,0|2,1,0]=3 53 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,0,0,0,0,0|2,0,0]=2 54 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,0,0,0,0,0|2,0,0]=2 55 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,0,0,0,0,0|3,1,0]=4 75 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,0,0,0,0,0|3,0,0]=3 78 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,0,0,0,0,0|3,0,0]=3 79 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,0,0,0,0,0|3,0,0]=3 80 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [0,0,0,0,0,0|3,1,0]=4 93 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [0,0,0,0,0,0|3,1,0]=4 94 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [0,0,0,0,0,0|3,1,0]=4 95 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [0,0,0,0,0,0|3,1,0]=4 96 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [0,0,0,0,0,0|3,1,0]=4 97 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [0,0,0,0,0,0|3,0,0]=3 100 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [0,0,0,0,0,0|3,0,0]=3 101 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [0,0,0,0,0,0|3,0,0]=3 102 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,0,0,0,0,0|4,0,0]=4 104 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,0,0,0,0,0|2,1,0]=3 105 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,0,0,0,0,0|2,0,0]=2 106 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,0,0,0,0,0|4,0,0]=4 107 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,0,0,0,0,0|3,1,0]=4 108 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,0,0,0,0,0|4,0,0]=4 109 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,0,0,0,0,0|4,0,0]=4 110 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,0,0,0,0,0|4,0,0]=4 111 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,0,0,0,0,0|4,0,0]=4 112 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,0,0,0,0,0|3,0,0]=3 113 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,0,0,0,0,0|4,0,0]=4 114 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [0,0,0,0,0,0|4,0,0]=4 115 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [0,0,0,0,0,0|3,1,0]=4 116 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [0,0,0,0,0,0|3,1,0]=4 117 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [0,0,0,0,0,0|3,0,0]=3 118 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [0,0,0,0,0,0|4,0,0]=4 119 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,0,0,0,0,0|4,0,0]=4 121 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,0,0,0,0,0|4,0,0]=4 122 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,0,0,0,0,0|4,0,0]=4 124 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,0,0,0,0,0|4,0,0]=4 125 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,0,0,0,0,0|4,0,0]=4 126 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,0,0,0,0,0|4,0,0]=4 127 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,0,0,0,0,0|3,0,0]=3 128 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,0,0,0,0,0|3,0,0]=3 129 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,0,0,0,0,0|4,0,0]=4 131 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,0,0,0,0,0|4,0,0]=4 132 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,0,0,0,0,0|4,0,0]=4 133 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,0,0,0,0,0|3,1,0]=4 134 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,0,0,0,0,0|3,1,0]=4 135 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [0,0,0,0,0,0|3,0,0]=3 136 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [0,0,0,0,0,0|3,0,0]=3 137 B8R1.8 FCCN1CC=CC1 269982a_100015195280_100011217306 [0,0,0,0,0,0|3,0,1]=4 138 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,0,0,0,0,0|4,0,0]=4 139 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,0,0,0,0,0|4,0,0]=4 140 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,0,0,0,0,0|4,0,0]=4 141 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,0,0,0,0,0|4,0,0]=4 142 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,0,0,0,0,0|4,0,0]=4 143 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,0,0,0,0,0|4,0,0]=4 144 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,0,0,0,0,0|2,1,0]=3 145 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,0,0,0,0,0|2,1,0]=3 146 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,0,0,0,0,0|2,0,0]=2 147 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,0,0,0,0,0|2,0,0]=2 148 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,0,0,0,0,0|4,0,0]=4 149 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,0,0,0,0,0|4,0,0]=4 150 B8R1.8 FCSc1ccon1 62a_100009818083_100015361967 [0,0,0,0,0,0|4,0,0]=4 151 B8R1.8 FCSc1ccon1 62a_100015361967_100009818083 [0,0,0,0,0,0|4,0,0]=4 152 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,0,0,0,0,0|4,0,0]=4 153 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,0,0,0,0,0|4,0,0]=4 154 B8R1.8 FCSc1ccsn1 62a_100009818082_100015361967 [0,0,0,0,0,0|4,0,0]=4 155 B8R1.8 FCSc1ccsn1 62a_100015361967_100009818082 [0,0,0,0,0,0|4,0,0]=4 156 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,0,0,0,0,0|3,1,0]=4 157 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,0,0,0,0,0|3,1,0]=4 158 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,0,0,0,0,0|3,0,0]=3 159 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,0,0,0,0,0|3,0,0]=3 160 B8R1.8 FCSc1cscn1 62a_100000751502_100015361967 [0,0,0,0,0,0|4,0,0]=4 161 B8R1.8 FCSc1cscn1 62a_100015361967_100000751502 [0,0,0,0,0,0|4,0,0]=4 162 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [0,0,0,0,0,0|4,0,0]=4 163 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [0,0,0,0,0,0|4,0,0]=4 164 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [0,0,0,0,0,0|3,1,0]=4 165 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [0,0,0,0,0,0|3,1,0]=4 166 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [0,0,0,0,0,0|3,0,0]=3 167 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [0,0,0,0,0,0|3,0,0]=3 168 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [0,0,0,0,0,0|4,0,0]=4 169 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [0,0,0,0,0,0|4,0,0]=4 170 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [0,0,0,0,0,0|4,0,0]=4 171 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [0,0,0,0,0,0|4,0,0]=4 172 B8R1.8 OCCN1CC=CC1 269982a_100015195280_100000211926 [0,0,0,0,0,0|3,0,1]=4 173 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,0,0,0,0,0|2,1,0]=3 174 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,0,0,0,0,0|2,1,0]=3 175 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,0,0,0,0,0|2,0,0]=2 176 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,0,0,0,0,0|4,0,0]=4 177 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,0,0,0,0,0|4,0,0]=4 178 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,0,0,0,0,0|4,0,0]=4 179 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,0,0,0,0,0|4,0,0]=4 180 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,0,0,0,0,0|3,0,0]=3 181 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [0,0,0,0,0,0|4,0,0]=4 182 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [0,0,0,0,0,0|3,1,0]=4 183 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [0,0,0,0,0,0|3,0,0]=3 184 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,0,0,0,0,0|2,1,0]=3 185 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,0,0,0,0,0|2,0,0]=2 186 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,0,0,0,0,0|3,1,0]=4 187 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,0,0,0,0,0|4,0,0]=4 188 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,0,0,0,0,0|4,0,0]=4 189 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [0,0,0,0,0,0|3,1,0]=4 190 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [0,0,0,0,0,0|4,0,0]=4 191 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,0,0,0,0,0|4,0,0]=4 192 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,0,0,0,0,0|4,0,0]=4 193 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,0,0,0,0,0|4,0,0]=4 194 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,0,0,0,0,0|4,0,0]=4 195 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,0,0,0,0,0|4,0,0]=4 196 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,0,0,0,0,0|4,0,0]=4 197 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,0,0,0,0,0|4,0,0]=4 198 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,0,0,0,0,0|4,0,0]=4 199 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,0,0,0,0,0|3,0,0]=3 200 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,0,0,0,0,0|3,0,0]=3 201 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,0,0,0,0,0|4,0,0]=4 202 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,0,0,0,0,0|4,0,0]=4 203 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,0,0,0,0,0|4,0,0]=4 204 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,0,0,0,0,0|4,0,0]=4 205 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,0,0,0,0,0|3,1,0]=4 206 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,0,0,0,0,0|3,1,0]=4 207 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [0,0,0,0,0,0|3,0,0]=3 208 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [0,0,0,0,0,0|3,0,0]=3 209 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|0,1,2]=4 210 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|0,0,2]=3 211 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|1,0,2]=4 212 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|1,0,2]=4 213 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,0,0,0|2,0,1]=4 214 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [1,0,0,0,0,0|3,0,0]=4 216 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 217 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,0,0|3,0,0]=4 219 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,0,0|3,0,0]=4 220 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|1,1,0]=3 223 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|1,1,0]=3 224 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|1,0,0]=2 225 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|1,0,0]=2 226 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,0,0|3,0,0]=4 227 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,0,0|3,0,0]=4 228 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,0,0,0,0,0|3,0,0]=4 229 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,0,0,0,0,0|3,0,0]=4 230 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,0,0|3,0,0]=4 231 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,0,0,0|3,0,0]=4 234 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,0,0,0|2,1,0]=4 235 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,0,0,0|2,1,0]=4 236 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,0,0|2,0,0]=3 237 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,0,0|2,0,0]=3 238 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,0,0|3,0,0]=4 239 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,0,0|3,0,0]=4 240 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|3,0,0]=4 242 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,0,0,0|2,1,0]=4 243 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,0,0,0|2,1,0]=4 244 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,0,0|2,0,0]=3 245 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,0,0|2,0,0]=3 246 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,0,0,0,0,0|3,0,0]=4 248 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,0,0,0,0,0|3,0,0]=4 250 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 251 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 252 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,0,0|3,0,0]=4 253 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,0,0|3,0,0]=4 254 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,0,0,0,0,0|3,0,0]=4 255 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,0,0,0,0,0|3,0,0]=4 256 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|1,1,0]=3 257 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|1,1,0]=3 258 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|1,0,0]=2 259 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|1,0,0]=2 260 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,0,0|3,0,0]=4 262 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,0,0,0,0,0|3,0,0]=4 264 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,0,0|3,0,0]=4 265 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,0,0|3,0,0]=4 266 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,0,0,0|3,0,0]=4 267 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,0,0,0|3,0,0]=4 268 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,0,0,0|2,1,0]=4 269 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,0,0,0|2,1,0]=4 270 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,0,0|2,0,0]=3 271 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,0,0|2,0,0]=3 272 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,0,0|3,0,0]=4 274 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|3,0,0]=4 275 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|3,0,0]=4 276 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,0,0,0|2,1,0]=4 277 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,0,0,0|2,1,0]=4 278 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,0,0|2,0,0]=3 279 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,0,0|2,0,0]=3 280 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,0,0,0,0,0|3,0,0]=4 281 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,0,0,0,0,0|3,0,0]=4 282 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.7 C=C=Cc1cc(cs1)C 271570a_100015277604_100009876951 [0,1,0,0,0,0|1,0,2]=4 285 B9R1.7 C=C=Cc1ccc(s1)Br 271570a_100015277604_100010197418 [0,1,0,0,0,0|1,0,2]=4 286 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [0,1,0,0,0,0|1,0,2]=4 287 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,1,0,0,0,0|1,0,2]=4 288 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,1,0,0,0,0|1,0,2]=4 289 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,1,0,0,0,0|1,0,2]=4 290 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,0,0,0|1,0,0]=2 291 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,1,0,0,0,0|2,0,0]=3 297 B9R1.7 CCSc1cc(ns1)C 62a_100000210202_100009815735 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.7 CCSc1cc(ns1)C 62a_100009815735_100000210202 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,1,0,0,0,0|2,0,0]=3 302 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,1,0,0,0,0|2,0,0]=3 303 B9R1.7 CCSc1cnc(s1)Br 62a_100000210202_100012357534 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.7 CCSc1cnc(s1)Br 62a_100012357534_100000210202 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.7 CCSc1cnc(s1)N 62a_100000210202_100000718969 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.7 CCSc1cnc(s1)N 62a_100000718969_100000210202 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.7 CCSc1nc(cs1)Br 62a_100000210202_200016082925 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.7 CCSc1nc(cs1)Br 62a_200016082925_100000210202 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.7 CCSc1nc(cs1)N 62a_100000210202_200015188442 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.7 CCSc1nc(cs1)N 62a_200015188442_100000210202 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [0,1,0,0,0,0|2,1,0]=4 319 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,1,0,0,0,0|2,0,0]=3 327 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,1,0,0,0,0|2,1,0]=4 335 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,1,0,0,0,0|2,1,0]=4 336 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,1,0,0,0,0|2,1,0]=4 337 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,1,0,0,0,0|2,1,0]=4 338 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,1,0,0,0,0|2,1,0]=4 339 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,1,0,0,0,0|2,1,0]=4 340 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,1,0,0,0,0|2,1,0]=4 341 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,1,0,0,0,0|2,1,0]=4 342 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,1,0,0,0,0|2,1,0]=4 343 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,1,0,0,0,0|2,1,0]=4 344 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,1,0,0,0,0|2,0,0]=3 345 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,1,0,0,0,0|2,0,0]=3 346 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,1,0,0,0,0|2,0,0]=3 347 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,1,0,0,0,0|2,0,0]=3 348 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,1,0,0,0,0|2,0,0]=3 349 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,1,0,0,0,0|2,0,0]=3 350 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,1,0,0,0,0|2,0,0]=3 351 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,1,0,0,0,0|2,0,0]=3 354 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,1,0,0,0,0|2,0,0]=3 355 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,1,0,0,0,0|2,0,0]=3 356 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.7 CNCc1cnc(s1)Br 2230a_100000726991_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.7 CNCc1cnc(s1)Br 2230a_106832991635_100000717027 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.7 CNCc1cnc(s1)Br 270004a_106832991635_100009814069 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.7 CNCc1cnc(s1)Br 34a_100102657272_100000717027 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.7 CNCc1cnc(s1)Br 7a_106832991635_100000717027 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.7 CNCc1cnc(s1)Cl 2230a_100000726635_200000210301 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.7 CNCc1cnc(s1)Cl 2230a_106832991635_100000058068 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.7 CNCc1cnc(s1)Cl 270004a_106832991635_100000696999 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.7 CNCc1cnc(s1)Cl 34a_100102657272_100000058068 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.7 CNCc1cnc(s1)Cl 7a_106832991635_100000058068 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.7 CNCc1nc(cs1)Br 270004a_106832991635_100009816814 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.7 CNCc1ncc(s1)Br 270004a_106832991635_100000699580 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.7 CNCc1ncc(s1)Cl 270004a_106832991635_100000699884 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,1,0,0,0,0|2,1,0]=4 389 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,1,0,0,0,0|2,1,0]=4 390 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,1,0,0,0,0|2,1,0]=4 391 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,1,0,0,0,0|2,1,0]=4 392 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,1,0,0,0,0|2,0,0]=3 393 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,1,0,0,0,0|2,0,0]=3 394 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,1,0,0,0,0|2,0,0]=3 395 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [0,1,0,0,0,0|2,0,0]=3 404 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [0,1,0,0,0,0|2,0,0]=3 405 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,1,0,0,0,0|2,0,0]=3 406 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,1,0,0,0,0|2,0,0]=3 407 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,1,0,0,0,0|2,0,0]=3 408 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.7 CSCc1cnc(s1)Br 62a_100000717027_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.7 CSCc1cnc(s1)Br 62a_200000210301_100000717027 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.7 CSCc1cnc(s1)Cl 62a_100000058068_200000210301 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.7 CSCc1cnc(s1)Cl 62a_200000210301_100000058068 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.7 Cc1cc(sn1)SCF 62a_100009815735_100015361967 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.7 Cc1cc(sn1)SCF 62a_100015361967_100009815735 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,1,0,0,0,0|2,1,0]=4 418 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,1,0,0,0,0|2,1,0]=4 419 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,1,0,0,0,0|2,1,0]=4 420 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,1,0,0,0,0|2,0,0]=3 421 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.7 Cc1ccc(s1)SCF 62a_100000031368_100015361967 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.7 Cc1ccc(s1)SCF 62a_100015361967_100000031368 [0,1,0,0,0,0|2,0,0]=3 424 B9R1.7 Cc1cnc(s1)SCF 62a_100000690809_100015361967 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.7 Cc1cnc(s1)SCF 62a_100015361967_100000690809 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,1,0,0,0,0|2,0,0]=3 427 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,1,0,0,0,0|2,0,0]=3 428 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,1,0,0,0,0|2,0,0]=3 429 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,1,0,0,0,0|2,0,0]=3 430 B9R1.7 Cc1csc(c1)SCF 62a_100009876951_100015361967 [0,1,0,0,0,0|2,0,0]=3 431 B9R1.7 Cc1csc(c1)SCF 62a_100015361967_100009876951 [0,1,0,0,0,0|2,0,0]=3 432 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.7 Cc1csc(n1)SCF 62a_100011291629_100015361967 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.7 Cc1csc(n1)SCF 62a_100015361967_100011291629 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.7 Cc1ncc(s1)SCF 62a_100000764884_100015361967 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.7 Cc1ncc(s1)SCF 62a_100015361967_100000764884 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.7 Cn1cc(nn1)CCN 274090a_200000210301_100000755551 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.7 FCSc1ccc(s1)Br 62a_100010197418_100015361967 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.7 FCSc1ccc(s1)Br 62a_100015361967_100010197418 [0,1,0,0,0,0|2,0,0]=3 444 B9R1.7 FCSc1cnc(s1)Br 62a_100012357534_100015361967 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.7 FCSc1cnc(s1)Br 62a_100015361967_100012357534 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.7 FCSc1nc(cs1)Br 62a_100015361967_200016082925 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.7 FCSc1nc(cs1)Br 62a_200016082925_100015361967 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.7 N#CCc1cc(cs1)O 271570a_203496583355_100000725765 [0,1,0,0,0,0|0,0,2]=3 449 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,1,0,0,0,0|0,0,2]=3 450 B9R1.7 NCCn1cc(cn1)O 271570a_203496583355_100000730845 [0,1,0,0,0,0|2,0,0]=3 451 B9R1.7 Nc1csc(n1)SCF 62a_100015361967_200015188442 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.7 Nc1csc(n1)SCF 62a_200015188442_100015361967 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.7 Nc1ncc(s1)SCF 62a_100000718969_100015361967 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.7 Nc1ncc(s1)SCF 62a_100015361967_100000718969 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.7 OCCn1cc(cn1)O 271570a_203496583355_100011236722 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.7 OCCn1ccc(n1)O 271570a_203496583355_200010732121 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [0,1,0,0,0,0|2,0,0]=3 458 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,1,0,0,0,0|2,1,0]=4 460 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,1,0,0,0,0|2,0,0]=3 461 B9R1.7 [13CH3]NCc1cnc(s1)Br 2230a_100000726991_200025704644 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.7 [13CH3]NCc1cnc(s1)Cl 2230a_100000726635_200025704644 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [0,1,0,0,0,0|2,0,0]=3 464 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [0,1,0,0,0,0|2,0,0]=3 465 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,1,0,0,0,0|2,1,0]=4 466 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,1,0,0,0,0|2,1,0]=4 467 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [0,1,0,0,0,0|2,0,0]=3 472 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [0,1,0,0,0,0|2,0,0]=3 473 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,1,0,0,0,0|2,0,0]=3 477 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_100000717027_200025704644 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_200025704644_100000717027 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_100000058068_200025704644 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_200025704644_100000058068 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.7 [13CH3]n1cc(nn1)CCN 274090a_200025704644_100000755551 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,1,0,0,0,0|2,0,0]=3 483 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,1,0,0,0,0|2,0,0]=3 488 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,1,0,0,0,0|2,1,0]=4 490 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,1,0,0,0,0|2,1,0]=4 492 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,1,0,0,0,0|2,1,0]=4 493 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,1,0,0,0,0|2,0,0]=3 494 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,1,0,0,0,0|2,1,0]=4 495 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,1,0,0,0,0|2,0,0]=3 496 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,1,0,0,0,0|2,1,0]=4 497 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,1,0,0,0,0|2,1,0]=4 498 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,1,0,0,0,0|1,1,1]=4 499 B9R1.12 C#CCSc1cccs1 62a_100000038162_100011215356 [0,1,0,0,0,0|1,0,1]=3 500 B9R1.12 C#CCSc1cncs1 62a_100000038162_100011934649 [0,1,0,0,0,0|2,0,1]=4 501 B9R1.12 C#CCSc1nccs1 62a_100000038162_100000211983 [0,1,0,0,0,0|2,0,1]=4 502 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,1,0,0,0,0|1,1,1]=4 503 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,1,0,0,0,0|1,1,1]=4 504 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,1,0,0,0,0|1,0,1]=3 505 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,1,0,0,0,0|1,0,1]=3 506 B9R1.12 C=CCSc1cncs1 62a_100000210623_100011934649 [0,1,0,0,0,0|2,0,1]=4 507 B9R1.12 C=CCSc1cncs1 62a_100011934649_100000210623 [0,1,0,0,0,0|2,0,1]=4 508 B9R1.12 C=CCSc1nccs1 62a_100000210623_100000211983 [0,1,0,0,0,0|2,0,1]=4 509 B9R1.12 C=CCSc1nccs1 62a_100000211983_100000210623 [0,1,0,0,0,0|2,0,1]=4 510 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,1,0,0,0,0|1,1,0]=3 513 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,1,0,0,0,0|1,0,0]=2 514 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,1,0,0,0,0|2,1,0]=4 518 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,1,0,0,0,0|2,0,0]=3 519 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,1,0,0,0,0|2,1,0]=4 522 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,1,0,0,0,0|2,0,0]=3 523 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,1,0,0,0,0|1,1,0]=3 532 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,1,0,0,0,0|1,1,0]=3 533 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,1,0,0,0,0|1,0,0]=2 534 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,1,0,0,0,0|1,0,0]=2 535 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,1,0,0,0,0|2,1,0]=4 544 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,1,0,0,0,0|2,1,0]=4 545 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,1,0,0,0,0|2,0,0]=3 546 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,1,0,0,0,0|2,0,0]=3 547 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,1,0,0,0,0|2,1,0]=4 552 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,1,0,0,0,0|2,1,0]=4 553 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [0,1,0,0,0,0|2,0,0]=3 554 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [0,1,0,0,0,0|2,0,0]=3 555 B9R1.12 CCCSc1ncns1 62a_100000210303_100000693119 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.12 CCCSc1ncns1 62a_100000693119_100000210303 [0,1,0,0,0,0|3,0,0]=4 557 B9R1.12 CCCSc1nncs1 62a_100000210303_100000739804 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.12 CCCSc1nncs1 62a_100000739804_100000210303 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [0,1,0,0,0,0|3,0,0]=4 560 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,1,0,0,0,0|1,1,0]=3 563 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,1,0,0,0,0|1,1,0]=3 564 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,1,0,0,0,0|1,1,0]=3 565 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,1,0,0,0,0|1,1,0]=3 566 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,1,0,0,0,0|1,0,0]=2 567 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,1,0,0,0,0|1,0,0]=2 568 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,1,0,0,0,0|1,0,0]=2 569 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,1,0,0,0,0|3,0,0]=4 570 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 572 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 573 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 574 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,1,0,0,0,0|3,0,0]=4 575 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 576 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 577 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,1,0,0,0,0|3,0,0]=4 578 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 580 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [0,1,0,0,0,0|3,0,0]=4 581 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,1,0,0,0,0|2,1,0]=4 582 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [0,1,0,0,0,0|2,0,0]=3 585 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [0,1,0,0,0,0|3,0,0]=4 587 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [0,1,0,0,0,0|3,0,0]=4 588 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [0,1,0,0,0,0|3,0,0]=4 591 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,1,0,0,0,0|2,1,0]=4 594 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,1,0,0,0,0|2,1,0]=4 595 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,1,0,0,0,0|2,1,0]=4 596 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [0,1,0,0,0,0|2,0,0]=3 598 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [0,1,0,0,0,0|2,0,0]=3 600 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,1,0,0,0,0|1,1,0]=3 602 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,1,0,0,0,0|1,0,0]=2 603 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,1,0,0,0,0|3,0,0]=4 604 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,1,0,0,0,0|2,1,0]=4 605 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,1,0,0,0,0|3,0,0]=4 606 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,1,0,0,0,0|3,0,0]=4 607 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,1,0,0,0,0|2,0,0]=3 610 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,1,0,0,0,0|3,0,0]=4 612 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,1,0,0,0,0|2,1,0]=4 613 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,1,0,0,0,0|2,1,0]=4 614 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [0,1,0,0,0,0|2,0,0]=3 615 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [0,1,0,0,0,0|3,0,0]=4 616 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,1,0,0,0,0|3,0,0]=4 617 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,1,0,0,0,0|3,0,0]=4 618 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,1,0,0,0,0|3,0,0]=4 619 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,1,0,0,0,0|3,0,0]=4 620 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,1,0,0,0,0|3,0,0]=4 621 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,1,0,0,0,0|3,0,0]=4 622 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,1,0,0,0,0|3,0,0]=4 623 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,1,0,0,0,0|3,0,0]=4 624 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,1,0,0,0,0|2,0,0]=3 625 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,1,0,0,0,0|2,0,0]=3 626 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,1,0,0,0,0|3,0,0]=4 628 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,1,0,0,0,0|3,0,0]=4 629 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,1,0,0,0,0|2,1,0]=4 631 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,1,0,0,0,0|2,1,0]=4 632 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,1,0,0,0,0|2,0,0]=3 633 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,1,0,0,0,0|2,0,0]=3 634 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,1,0,0,0,0|2,0,0]=3 635 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,1,0,0,0,0|2,0,0]=3 636 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,1,0,0,0,0|0,1,0]=2 637 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,1,0,0,0,0|0,1,0]=2 638 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,1,0,0,0,0|0,0,0]=1 639 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,1,0,0,0,0|0,0,0]=1 640 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,1,0,0,0,0|0,0,0]=1 641 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,1,0,0,0,0|0,0,0]=1 642 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,1,0,0,0,0|0,0,0]=1 643 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,1,0,0,0,0|2,0,0]=3 645 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [0,1,0,0,0,0|3,0,0]=4 647 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [0,1,0,0,0,0|3,0,0]=4 648 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,1,0,0,0,0|1,0,0]=2 649 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,1,0,0,0,0|1,0,0]=2 650 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,1,0,0,0,0|2,0,0]=3 651 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,1,0,0,0,0|2,0,0]=3 653 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,1,0,0,0,0|2,0,0]=3 654 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,1,0,0,0,0|2,0,0]=3 655 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,1,0,0,0,0|2,0,0]=3 656 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,1,0,0,0,0|2,0,0]=3 657 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.12 CNCCn1cncn1 2230a_106832991635_100000731791 [0,1,0,0,0,0|3,0,0]=4 659 B9R1.12 CNCCn1cncn1 2230a_200000738561_200000210301 [0,1,0,0,0,0|3,0,0]=4 660 B9R1.12 CNCCn1cncn1 34a_100102657272_200000749826 [0,1,0,0,0,0|3,0,0]=4 661 B9R1.12 CNCCn1cncn1 7a_106832991635_100000731791 [0,1,0,0,0,0|3,0,0]=4 662 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,1,0,0,0,0|1,0,0]=2 663 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,1,0,0,0,0|1,0,0]=2 664 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,1,0,0,0,0|1,0,0]=2 665 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,1,0,0,0,0|3,0,0]=4 666 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [0,1,0,0,0,0|3,0,0]=4 669 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,1,0,0,0,0|2,1,0]=4 671 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,1,0,0,0,0|2,1,0]=4 672 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,1,0,0,0,0|2,0,0]=3 673 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,1,0,0,0,0|2,0,0]=3 674 B9R1.12 COCSc1cncs1 62a_100000766300_100011934649 [0,1,0,0,0,0|3,0,0]=4 675 B9R1.12 COCSc1cncs1 62a_100011934649_100000766300 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.12 COCSc1nccs1 62a_100000211983_100000766300 [0,1,0,0,0,0|3,0,0]=4 677 B9R1.12 COCSc1nccs1 62a_100000766300_100000211983 [0,1,0,0,0,0|3,0,0]=4 678 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,1,0,0,0,0|3,0,0]=4 680 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,1,0,0,0,0|1,0,0]=2 681 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,1,0,0,0,0|1,0,0]=2 682 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,1,0,0,0,0|3,0,0]=4 683 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,1,0,0,0,0|3,0,0]=4 684 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [0,1,0,0,0,0|3,0,0]=4 685 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [0,1,0,0,0,0|3,0,0]=4 686 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,1,0,0,0,0|2,1,0]=4 687 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,1,0,0,0,0|2,1,0]=4 688 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,1,0,0,0,0|2,0,0]=3 689 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,1,0,0,0,0|2,0,0]=3 690 B9R1.12 CSCSc1cncs1 62a_100011218213_100011934649 [0,1,0,0,0,0|3,0,0]=4 691 B9R1.12 CSCSc1cncs1 62a_100011934649_100011218213 [0,1,0,0,0,0|3,0,0]=4 692 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [0,1,0,0,0,0|3,0,0]=4 693 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [0,1,0,0,0,0|3,0,0]=4 694 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,1,0,0,0,0|3,0,0]=4 695 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,1,0,0,0,0|3,0,0]=4 696 B9R1.12 FCCSc1c[nH]cn1 62a_100000756875_100011217306 [0,1,0,0,0,0|3,0,0]=4 697 B9R1.12 FCCSc1c[nH]cn1 62a_100011217306_100000756875 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.12 FCCSc1cc[nH]n1 62a_100000062575_100011217306 [0,1,0,0,0,0|3,0,0]=4 699 B9R1.12 FCCSc1cc[nH]n1 62a_100011217306_100000062575 [0,1,0,0,0,0|3,0,0]=4 700 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,1,0,0,0,0|1,1,0]=3 701 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,1,0,0,0,0|1,1,0]=3 702 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,1,0,0,0,0|1,0,0]=2 703 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,1,0,0,0,0|1,0,0]=2 704 B9R1.12 FCCSc1ccoc1 62a_100011215275_100011217306 [0,1,0,0,0,0|3,0,0]=4 705 B9R1.12 FCCSc1ccoc1 62a_100011217306_100011215275 [0,1,0,0,0,0|3,0,0]=4 706 B9R1.12 FCCSc1ccon1 62a_100009818083_100011217306 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.12 FCCSc1ccon1 62a_100011217306_100009818083 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.12 FCCSc1ccsc1 62a_100000738268_100011217306 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.12 FCCSc1ccsc1 62a_100011217306_100000738268 [0,1,0,0,0,0|3,0,0]=4 710 B9R1.12 FCCSc1ccsn1 62a_100009818082_100011217306 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.12 FCCSc1ccsn1 62a_100011217306_100009818082 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,1,0,0,0,0|2,1,0]=4 713 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,1,0,0,0,0|2,1,0]=4 714 B9R1.12 FCCSc1cncs1 62a_100011217306_100011934649 [0,1,0,0,0,0|2,0,0]=3 715 B9R1.12 FCCSc1cncs1 62a_100011934649_100011217306 [0,1,0,0,0,0|2,0,0]=3 716 B9R1.12 FCCSc1cscn1 62a_100000751502_100011217306 [0,1,0,0,0,0|3,0,0]=4 717 B9R1.12 FCCSc1cscn1 62a_100011217306_100000751502 [0,1,0,0,0,0|3,0,0]=4 718 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [0,1,0,0,0,0|3,0,0]=4 719 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [0,1,0,0,0,0|3,0,0]=4 720 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [0,1,0,0,0,0|2,1,0]=4 721 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [0,1,0,0,0,0|2,1,0]=4 722 B9R1.12 FCCSc1nccs1 62a_100000211983_100011217306 [0,1,0,0,0,0|2,0,0]=3 723 B9R1.12 FCCSc1nccs1 62a_100011217306_100000211983 [0,1,0,0,0,0|2,0,0]=3 724 B9R1.12 FCCSc1ncns1 62a_100000693119_100011217306 [0,1,0,0,0,0|3,0,0]=4 725 B9R1.12 FCCSc1ncns1 62a_100011217306_100000693119 [0,1,0,0,0,0|3,0,0]=4 726 B9R1.12 FCCSc1nncs1 62a_100000739804_100011217306 [0,1,0,0,0,0|3,0,0]=4 727 B9R1.12 FCCSc1nncs1 62a_100011217306_100000739804 [0,1,0,0,0,0|3,0,0]=4 728 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,1,0,0,0,0|1,1,0]=3 729 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,1,0,0,0,0|3,0,0]=4 730 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,1,0,0,0,0|3,0,0]=4 731 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,1,0,0,0,0|1,1,0]=3 732 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,1,0,0,0,0|1,0,0]=2 733 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,1,0,0,0,0|2,1,0]=4 734 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,1,0,0,0,0|3,0,0]=4 735 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,1,0,0,0,0|3,0,0]=4 736 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [0,1,0,0,0,0|2,1,0]=4 737 B9R1.12 FCOCn1cccn1 34a_100000731028_100015361967 [0,1,0,0,0,0|3,0,0]=4 738 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,1,0,0,0,0|3,0,0]=4 739 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,1,0,0,0,0|3,0,0]=4 740 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,1,0,0,0,0|3,0,0]=4 741 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,1,0,0,0,0|3,0,0]=4 742 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,1,0,0,0,0|3,0,0]=4 743 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,1,0,0,0,0|3,0,0]=4 744 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,1,0,0,0,0|3,0,0]=4 745 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,1,0,0,0,0|3,0,0]=4 746 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,1,0,0,0,0|2,0,0]=3 747 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,1,0,0,0,0|2,0,0]=3 748 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,1,0,0,0,0|3,0,0]=4 749 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,1,0,0,0,0|3,0,0]=4 750 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,1,0,0,0,0|3,0,0]=4 751 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,1,0,0,0,0|3,0,0]=4 752 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [0,1,0,0,0,0|2,1,0]=4 753 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [0,1,0,0,0,0|2,1,0]=4 754 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [0,1,0,0,0,0|2,0,0]=3 755 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [0,1,0,0,0,0|2,0,0]=3 756 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,1,0,0,0,0|0,1,2]=4 757 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,1,0,0,0,0|0,1,2]=4 758 B9R1.12 N#CCSc1cccs1 62a_100011215356_100011215382 [0,1,0,0,0,0|0,0,2]=3 759 B9R1.12 N#CCSc1cccs1 62a_100011215382_100011215356 [0,1,0,0,0,0|0,0,2]=3 760 B9R1.12 N#CCSc1cncs1 62a_100011215382_100011934649 [0,1,0,0,0,0|1,0,2]=4 761 B9R1.12 N#CCSc1cncs1 62a_100011934649_100011215382 [0,1,0,0,0,0|1,0,2]=4 762 B9R1.12 N#CCSc1nccs1 62a_100000211983_100011215382 [0,1,0,0,0,0|1,0,2]=4 763 B9R1.12 N#CCSc1nccs1 62a_100011215382_100000211983 [0,1,0,0,0,0|1,0,2]=4 764 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,1,0,0,0,0|1,1,1]=4 765 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,1,0,0,0,0|1,1,1]=4 766 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,1,0,0,0,0|1,0,1]=3 767 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,1,0,0,0,0|1,0,1]=3 768 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [0,1,0,0,0,0|2,0,1]=4 769 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [0,1,0,0,0,0|2,0,1]=4 770 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [0,1,0,0,0,0|2,0,1]=4 771 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [0,1,0,0,0,0|2,0,1]=4 772 B9R1.12 OCCNc1ncns1 27a_100000210304_100000693119 [0,1,0,0,0,0|3,0,0]=4 773 B9R1.12 OCCNc1nncs1 27a_100000210304_100000739804 [0,1,0,0,0,0|3,0,0]=4 774 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,1,0,0,0,0|3,0,0]=4 775 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,1,0,0,0,0|3,0,0]=4 776 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [0,1,0,0,0,0|3,0,0]=4 777 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [0,1,0,0,0,0|3,0,0]=4 778 B9R1.12 OCCSc1cc[nH]n1 62a_100000062575_100000211926 [0,1,0,0,0,0|3,0,0]=4 779 B9R1.12 OCCSc1cc[nH]n1 62a_100000211926_100000062575 [0,1,0,0,0,0|3,0,0]=4 780 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,1,0,0,0,0|1,1,0]=3 781 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,1,0,0,0,0|1,1,0]=3 782 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,1,0,0,0,0|1,0,0]=2 783 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,1,0,0,0,0|1,0,0]=2 784 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,1,0,0,0,0|3,0,0]=4 785 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,1,0,0,0,0|3,0,0]=4 786 B9R1.12 OCCSc1ccon1 62a_100000211926_100009818083 [0,1,0,0,0,0|3,0,0]=4 787 B9R1.12 OCCSc1ccon1 62a_100009818083_100000211926 [0,1,0,0,0,0|3,0,0]=4 788 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,1,0,0,0,0|3,0,0]=4 789 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,1,0,0,0,0|3,0,0]=4 790 B9R1.12 OCCSc1ccsn1 62a_100000211926_100009818082 [0,1,0,0,0,0|3,0,0]=4 791 B9R1.12 OCCSc1ccsn1 62a_100009818082_100000211926 [0,1,0,0,0,0|3,0,0]=4 792 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,1,0,0,0,0|2,1,0]=4 793 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,1,0,0,0,0|2,1,0]=4 794 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,1,0,0,0,0|2,0,0]=3 795 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,1,0,0,0,0|2,0,0]=3 796 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [0,1,0,0,0,0|3,0,0]=4 797 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [0,1,0,0,0,0|3,0,0]=4 798 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [0,1,0,0,0,0|3,0,0]=4 799 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [0,1,0,0,0,0|3,0,0]=4 800 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,1,0,0,0,0|2,1,0]=4 801 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,1,0,0,0,0|2,1,0]=4 802 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [0,1,0,0,0,0|2,0,0]=3 803 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [0,1,0,0,0,0|2,0,0]=3 804 B9R1.12 OCCSc1ncns1 62a_100000211926_100000693119 [0,1,0,0,0,0|3,0,0]=4 805 B9R1.12 OCCSc1ncns1 62a_100000693119_100000211926 [0,1,0,0,0,0|3,0,0]=4 806 B9R1.12 OCCSc1nncs1 62a_100000211926_100000739804 [0,1,0,0,0,0|3,0,0]=4 807 B9R1.12 OCCSc1nncs1 62a_100000739804_100000211926 [0,1,0,0,0,0|3,0,0]=4 808 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,1,0,0,0,0|0,1,0]=2 809 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,1,0,0,0,0|0,1,0]=2 810 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,1,0,0,0,0|0,0,0]=1 811 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,1,0,0,0,0|0,0,0]=1 812 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,1,0,0,0,0|2,0,0]=3 813 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,1,0,0,0,0|2,0,0]=3 814 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [0,1,0,0,0,0|3,0,0]=4 815 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,1,0,0,0,0|1,0,0]=2 816 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,1,0,0,0,0|1,0,0]=2 817 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,1,0,0,0,0|2,0,0]=3 818 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,1,0,0,0,0|2,0,0]=3 819 B9R1.12 [13CH3]NCCn1cncn1 2230a_200000738561_200025704644 [0,1,0,0,0,0|3,0,0]=4 820 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,1,0,0,0,0|1,0,0]=2 821 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,1,0,0,0,0|1,0,0]=2 822 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,1,0,0,0,0|3,0,0]=4 823 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,1,0,0,0,0|3,0,0]=4 824 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,1,0,0,0,0|3,0,0]=4 825 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [0,1,0,0,0,0|3,0,0]=4 826 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,1,0,0,0,0|3,0,0]=4 827 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,1,0,0,0,0|3,0,0]=4 828 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,1,0,0,0,0|1,0,0]=2 829 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,1,0,0,0,0|1,0,0]=2 830 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,1,0,0,0,0|3,0,0]=4 831 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,1,0,0,0,0|3,0,0]=4 832 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [0,1,0,0,0,0|3,0,0]=4 833 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [0,1,0,0,0,0|3,0,0]=4 834 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,1,0,0,0,0|1,0,2]=4 835 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,1,0,0,0,0|2,0,1]=4 836 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,1,0,0,0,0|1,1,1]=4 837 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,1,0,0,0,0|1,0,1]=3 838 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,1,0,0,0,0|2,0,1]=4 839 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,1,0,0,0,0|2,0,1]=4 840 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,1,0,0,0,0|2,1,0]=4 841 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,1,0,0,0,0|2,1,0]=4 842 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,1,0,0,0,0|2,0,0]=3 843 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,1,0,0,0,0|2,0,0]=3 844 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [0,1,0,0,0,0|3,0,0]=4 845 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [0,1,0,0,0,0|3,0,0]=4 846 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [0,1,0,0,0,0|3,0,0]=4 847 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [0,1,0,0,0,0|3,0,0]=4 848 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,1,0,0,0,0|2,1,0]=4 849 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,1,0,0,0,0|2,1,0]=4 850 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,1,0,0,0,0|2,1,0]=4 851 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,1,0,0,0,0|2,0,0]=3 852 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,1,0,0,0,0|2,0,0]=3 853 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,1,0,0,0,0|2,0,0]=3 854 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [0,1,0,0,0,0|3,0,0]=4 855 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [0,1,0,0,0,0|3,0,0]=4 856 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [0,1,0,0,0,0|3,0,0]=4 857 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [0,1,0,0,0,0|3,0,0]=4 858 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [0,1,0,0,0,0|3,0,0]=4 859 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [0,1,0,0,0,0|3,0,0]=4 860 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [0,1,0,0,0,0|3,0,0]=4 861 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [0,1,0,0,0,0|3,0,0]=4 862 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,1,0,0,0,0|2,1,0]=4 863 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,1,0,0,0,0|2,1,0]=4 864 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,1,0,0,0,0|2,0,0]=3 865 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,1,0,0,0,0|2,0,0]=3 866 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [0,1,0,0,0,0|3,0,0]=4 867 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [0,1,0,0,0,0|3,0,0]=4 868 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,1,0,0,0,0|2,0,1]=4 869 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,1,0,0,0,0|1,1,1]=4 870 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,1,0,0,0,0|1,0,1]=3 871 B9R1.33 C=C=Cc1sccc1Br 271570a_100015277604_100012361411 [0,1,0,0,0,0|1,0,2]=4 872 B9R1.33 C=C=Cc1sccc1C 271570a_100015277604_100000742657 [0,1,0,0,0,0|1,0,2]=4 873 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [0,1,0,0,0,0|1,0,2]=4 874 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,1,0,0,0,0|1,0,2]=4 875 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,1,0,0,0,0|2,0,0]=3 876 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,1,0,0,0,0|2,0,0]=3 877 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,1,0,0,0,0|2,0,0]=3 878 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,1,0,0,0,0|2,0,0]=3 879 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [0,1,0,0,0,0|3,0,0]=4 880 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [0,1,0,0,0,0|3,0,0]=4 881 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,1,0,0,0,0|3,0,0]=4 882 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,1,0,0,0,0|3,0,0]=4 883 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [0,1,0,0,0,0|2,1,0]=4 884 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,1,0,0,0,0|2,1,0]=4 885 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,1,0,0,0,0|2,1,0]=4 886 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,1,0,0,0,0|2,0,0]=3 887 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,1,0,0,0,0|2,0,0]=3 888 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,1,0,0,0,0|2,0,0]=3 889 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,1,0,0,0,0|2,0,0]=3 890 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,1,0,0,0,0|2,0,0]=3 891 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,1,0,0,0,0|2,0,0]=3 892 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,1,0,0,0,0|2,0,0]=3 893 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,1,0,0,0,0|2,0,0]=3 894 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,1,0,0,0,0|2,0,0]=3 895 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,1,0,0,0,0|2,0,0]=3 896 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,1,0,0,0,0|2,0,0]=3 897 B9R1.33 CNCc1scnc1C 207a_100102657272_100000764165 [0,1,0,0,0,0|3,0,0]=4 898 B9R1.33 CNCc1scnc1C 2230a_100000752186_200000210301 [0,1,0,0,0,0|3,0,0]=4 899 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,1,0,0,0,0|2,1,0]=4 900 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,1,0,0,0,0|2,1,0]=4 901 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,1,0,0,0,0|2,0,0]=3 902 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,1,0,0,0,0|2,0,0]=3 903 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,1,0,0,0,0|2,0,0]=3 904 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,1,0,0,0,0|2,0,0]=3 905 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,1,0,0,0,0|2,0,0]=3 906 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [0,1,0,0,0,0|3,0,0]=4 907 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [0,1,0,0,0,0|3,0,0]=4 908 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [0,1,0,0,0,0|3,0,0]=4 909 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,1,0,0,0,0|2,1,0]=4 910 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,1,0,0,0,0|2,1,0]=4 911 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,1,0,0,0,0|2,0,0]=3 912 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,1,0,0,0,0|2,0,0]=3 913 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,1,0,0,0,0|2,0,0]=3 914 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B9R1.33 Cc1ccsc1SCF 62a_100010247149_100015361967 [0,1,0,0,0,0|2,0,0]=3 916 B9R1.33 Cc1ccsc1SCF 62a_100015361967_100010247149 [0,1,0,0,0,0|2,0,0]=3 917 B9R1.33 Cc1ncsc1CN[13CH3] 2230a_100000752186_200025704644 [0,1,0,0,0,0|3,0,0]=4 918 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [0,1,0,0,0,0|3,0,0]=4 919 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B9R1.33 Cc1ncsc1SCF 62a_100009817116_100015361967 [0,1,0,0,0,0|3,0,0]=4 921 B9R1.33 Cc1ncsc1SCF 62a_100015361967_100009817116 [0,1,0,0,0,0|3,0,0]=4 922 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,1,0,0,0,0|3,0,0]=4 923 B9R1.33 FCSc1sccc1Br 62a_100012361411_100015361967 [0,1,0,0,0,0|2,0,0]=3 924 B9R1.33 FCSc1sccc1Br 62a_100015361967_100012361411 [0,1,0,0,0,0|2,0,0]=3 925 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,1,0,0,0,0|2,0,0]=3 926 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,1,0,0,0,0|2,0,0]=3 927 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,1,0,0,0,0|2,0,0]=3 928 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,1,0,0,0,0|2,0,0]=3 929 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,1,0,0,0,0|2,0,0]=3 930 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [0,1,0,0,0,0|3,0,0]=4 931 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,0,1,0,0,0|3,0,0]=4 932 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,0,1,0,0,0|3,0,0]=4 933 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,0,1,0,0,0|2,0,1]=4 934 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,0,1,0,0,0|2,0,1]=4 935 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,0,1,0,0,0|0,1,2]=4 936 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,1,0,0,0|1,0,2]=4 937 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,1,0,0,0|1,0,2]=4 938 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,0,1,0,0,0|1,0,2]=4 939 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,0,1,0,0,0|1,0,2]=4 940 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,1,0,0,0|1,0,2]=4 941 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,1,0,0,0|1,0,2]=4 942 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,0,1,0,0,0|2,0,1]=4 943 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,1,0,0,0|1,1,1]=4 944 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,1,0,0,0|1,1,1]=4 945 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,0,1,0,0,0|1,1,1]=4 946 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,0,1,0,0,0|1,1,1]=4 947 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,0,1,0,0,0|1,1,1]=4 948 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,1,0,0,0|1,1,1]=4 949 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,1,0,0,0|1,1,1]=4 950 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,1,0,0,0|1,1,1]=4 951 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,1,0,0,0|2,1,0]=4 952 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,1,0,0,0|2,1,0]=4 953 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,1,0,0,0|2,1,0]=4 954 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,0,1,0,0,0|2,1,0]=4 955 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,0,1,0,0,0|2,1,0]=4 956 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,0,1,0,0,0|2,1,0]=4 957 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,0,1,0,0,0|2,1,0]=4 958 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,0,1,0,0,0|2,1,0]=4 959 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,0,1,0,0,0|2,1,0]=4 960 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [0,0,0,1,0,0|3,0,0]=4 961 B9R2.2 c1cc(co1)C2CC2 271570a_100011220607_100011215275 [0,0,0,1,0,0|3,0,0]=4 962 B9R2.2 c1cc(cs1)C2CC2 271570a_100011220607_100000738268 [0,0,0,1,0,0|3,0,0]=4 963 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [0,0,0,1,0,0|3,0,0]=4 964 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [0,0,0,1,0,0|3,0,0]=4 965 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,0,0,1,0,0|1,1,0]=3 966 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [0,0,0,1,0,0|2,1,0]=4 967 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,1,0,0|1,0,0]=2 968 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [0,0,0,1,0,0|2,0,0]=3 969 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [0,0,0,1,0,0|3,0,0]=4 970 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [0,0,0,1,0,0|3,0,0]=4 971 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [0,0,0,1,0,0|2,1,0]=4 972 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [0,0,0,1,0,0|2,0,0]=3 973 B9R2.2 c1nnc(s1)C2CC2 271570a_100011220607_100000739804 [0,0,0,1,0,0|3,0,0]=4 974 B9R2.2 c1nsc(n1)C2CC2 271570a_100011220607_100000693119 [0,0,0,1,0,0|3,0,0]=4 975 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [0,0,0,0,0,1|3,0,0]=4 976 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,0,0,0,0,1|3,0,0]=4 977 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,0,0,0,0,1|3,0,0]=4 978 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,0,0,0,0,1|3,0,0]=4 979 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [0,0,0,0,0,1|3,0,0]=4 980 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,0,0,0,0,1|3,0,0]=4 981 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,0,0,0,0,1|3,0,0]=4 982 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 983 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 984 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,0,0,0,0,1|3,0,0]=4 985 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [0,0,0,0,0,1|3,0,0]=4 986 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [0,0,0,0,0,1|3,0,0]=4 987 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [0,0,0,0,0,1|3,0,0]=4 988 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [0,0,0,0,0,1|3,0,0]=4 989 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,0,0,0,0,1|3,0,0]=4 990 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,0,0,0,0,1|3,0,0]=4 991 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [0,0,0,0,0,1|3,0,0]=4 992 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [0,0,0,0,0,1|3,0,0]=4 993 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,0,0,0,0,1|3,0,0]=4 994 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,0,0,0,0,1|3,0,0]=4 995 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,0,0,0,0,1|3,0,0]=4 996 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,0,0,0,0,1|3,0,0]=4 997 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,0,0,0,0,1|3,0,0]=4 998 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,0,0,0,0,1|3,0,0]=4 999 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [0,0,0,0,0,1|3,0,0]=4 1000 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [0,0,0,0,0,1|3,0,0]=4 1001 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [0,0,0,0,0,1|3,0,0]=4 1002 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [0,0,0,0,0,1|3,0,0]=4 1003 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [0,0,0,0,0,1|3,0,0]=4 1004 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [0,0,0,0,0,1|3,0,0]=4 1005 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [0,0,0,0,0,1|3,0,0]=4 1006 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [0,0,0,0,0,1|3,0,0]=4 1007 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [0,0,0,0,0,1|3,0,0]=4 1008 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [0,0,0,0,0,1|3,0,0]=4 1009 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [0,0,0,0,0,1|3,0,0]=4 1010 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [0,0,0,0,0,1|3,0,0]=4 1011 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [0,0,0,0,0,1|3,0,0]=4 1012 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [0,0,0,0,0,1|3,0,0]=4 1013 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,0,0,0,0,1|3,0,0]=4 1014 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,0,0,0,0,1|3,0,0]=4 1015 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,0,0,0,0,1|3,0,0]=4 1016 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,0,0,0,0,1|3,0,0]=4 1017 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,0,0,0,0,1|3,0,0]=4 1018 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [0,0,0,0,0,1|3,0,0]=4 1019 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [0,0,0,0,0,1|3,0,0]=4 1020 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [0,0,0,0,0,1|3,0,0]=4 1021 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [0,0,0,0,0,1|3,0,0]=4 1022 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,0,0,0,0,1|3,0,0]=4 1023 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,0,0,0,0,1|3,0,0]=4 1024 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,0,0,0,0,1|3,0,0]=4 1025 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,0,0,0,0,1|3,0,0]=4 1026 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,0,0,0,0,1|3,0,0]=4 1027 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,0,0,0,0,1|3,0,0]=4 1028 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,0,0,0,0,1|3,0,0]=4 1029 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [0,0,0,0,0,1|3,0,0]=4 1030 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [0,0,0,0,0,1|3,0,0]=4 1031 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [0,0,0,0,0,1|3,0,0]=4 1032 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [0,0,0,0,0,1|3,0,0]=4 1033 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [0,0,0,0,0,1|3,0,0]=4 1034 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [0,0,0,0,0,1|3,0,0]=4 1035 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [0,0,0,0,0,1|3,0,0]=4 1036 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [0,0,0,0,0,1|3,0,0]=4 1037 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,0,0,0,0,1|3,0,0]=4 1038 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,0,0,0,0,1|3,0,0]=4 1039 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,0,0,0,0,1|3,0,0]=4 1040 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [0,0,0,0,0,1|3,0,0]=4 1041 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [0,0,0,0,0,1|3,0,0]=4 1042 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [0,0,0,0,0,1|3,0,0]=4 1043 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [0,0,0,0,0,1|3,0,0]=4 1044 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [0,0,0,0,0,1|3,0,0]=4 1045 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,0,0,0,0,1|3,0,0]=4 1046 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,0,0,0,0,1|3,0,0]=4 1047 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [0,0,0,0,0,1|3,0,0]=4 1048 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [0,0,0,0,0,1|3,0,0]=4 1049 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,0,0,0,0,1|3,0,0]=4 1050 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,0,0,0,0,1|3,0,0]=4 1051 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,0,0,0,0,1|3,0,0]=4 1052 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,0,0,0,0,1|3,0,0]=4 1053 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [0,0,0,0,0,1|3,0,0]=4 1054 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [0,0,0,0,0,1|3,0,0]=4 1055 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [0,0,0,0,0,1|3,0,0]=4 1056 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [0,0,0,0,0,1|3,0,0]=4 1057 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [0,0,0,0,0,1|3,0,0]=4 1058 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [0,0,0,0,0,1|3,0,0]=4 1059 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [0,0,0,0,0,1|3,0,0]=4 1060 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [0,0,0,0,0,1|3,0,0]=4 1061 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [0,0,0,0,0,1|3,0,0]=4 1062 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [0,0,0,0,0,1|3,0,0]=4 1063 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [0,0,0,0,0,1|3,0,0]=4 1064 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [0,0,0,0,0,1|3,0,0]=4 1065 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [0,0,0,0,0,1|3,0,0]=4 1066 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [0,0,0,0,0,1|3,0,0]=4 1067 B9R1.8 FCSc1cccnn1 62a_100015361967_100016991348 [0,0,0,0,0,1|3,0,0]=4 1068 B9R1.8 FCSc1cccnn1 62a_100016991348_100015361967 [0,0,0,0,0,1|3,0,0]=4 1069 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [0,0,0,0,0,1|3,0,0]=4 1070 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [0,0,0,0,0,1|3,0,0]=4 1071 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [0,0,0,0,0,1|3,0,0]=4 1072 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [0,0,0,0,0,1|3,0,0]=4 1073 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [0,0,0,0,0,1|3,0,0]=4 1074 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [0,0,0,0,0,1|3,0,0]=4 1075 B9R1.8 FCSc1ncccn1 62a_100000211032_100015361967 [0,0,0,0,0,1|3,0,0]=4 1076 B9R1.8 FCSc1ncccn1 62a_100015361967_100000211032 [0,0,0,0,0,1|3,0,0]=4 1077 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [0,0,0,0,0,1|3,0,0]=4 1078 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [0,0,0,0,0,1|3,0,0]=4 1079 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [0,0,0,0,0,1|3,0,0]=4 1080 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [0,0,0,0,0,1|3,0,0]=4 1081 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [0,0,0,0,0,1|3,0,0]=4 1082 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [0,0,0,0,0,1|3,0,0]=4 1083 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [0,0,0,0,0,1|3,0,0]=4 1084 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [0,0,0,0,0,1|3,0,0]=4 1085 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [0,0,0,0,0,1|3,0,0]=4 1086 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,0,0,0,0,1|3,0,0]=4 1087 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,0,0,0,0,1|3,0,0]=4 1088 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [0,0,0,0,0,1|3,0,0]=4 1089 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [0,0,0,0,0,1|3,0,0]=4 1090 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,0,0,0,0,1|3,0,0]=4 1091 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,0,0,0,0,1|3,0,0]=4 1092 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,0,0,0,0,1|3,0,0]=4 1093 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,0,0,0,0,1|3,0,0]=4 1094 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [0,0,0,0,0,1|3,0,0]=4 1095 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [0,0,0,0,0,1|3,0,0]=4 1096 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,1,0,0,0|0,1,1]=4 1097 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,1,0,0,0|0,0,2]=4 1098 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,1,0,0,0|0,0,2]=4 1099 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,1,0,0,0|1,0,1]=4 1100 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,1,0,0,0|1,0,1]=4 1101 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,1,0,0,0|1,0,1]=4 1102 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,1,0,0,0|1,0,1]=4 1103 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|1,1,0]=4 1104 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,1,0,0,0|1,1,0]=4 1105 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,1,0,0,0|1,1,0]=4 1106 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|0,1,1]=4 1107 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|0,1,1]=4 1108 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,1,1]=4 1109 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|1,1,0]=4 1110 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|1,1,0]=4 1111 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|1,1,0]=4 1112 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|1,1,0]=4 1113 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|1,0,0]=3 1114 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [2,0,0,0,0,0|2,0,0]=4 1115 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [2,0,0,0,0,0|2,0,0]=4 1116 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,1,0,0,0|2,0,0]=4 1117 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,1,1,0,0,0|2,0,0]=4 1118 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,1,0,0,0|2,0,0]=4 1119 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,1,1,0,0,0|2,0,0]=4 1120 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,1,1,0,0,0|2,0,0]=4 1121 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,1,0,0,0,0|0,0,2]=4 1122 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [1,1,0,0,0,0|0,0,2]=4 1123 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,1,0,0,0,0|0,0,2]=4 1124 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,1,0,0,0,0|0,0,0]=2 1125 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,1,0,0,0,0|0,0,0]=2 1126 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [1,1,0,0,0,0|2,0,0]=4 1127 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [1,1,0,0,0,0|2,0,0]=4 1128 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [1,1,0,0,0,0|2,0,0]=4 1129 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [1,1,0,0,0,0|2,0,0]=4 1130 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [1,1,0,0,0,0|1,0,0]=3 1131 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [1,1,0,0,0,0|1,0,0]=3 1132 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [1,1,0,0,0,0|1,0,0]=3 1133 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [1,1,0,0,0,0|2,0,0]=4 1134 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [1,1,0,0,0,0|2,0,0]=4 1135 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [1,1,0,0,0,0|1,0,0]=3 1136 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [1,1,0,0,0,0|1,0,0]=3 1137 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,1,0,0,0,0|1,0,0]=3 1138 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,1,0,0,0,0|1,0,0]=3 1139 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1140 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [1,1,0,0,0,0|2,0,0]=4 1141 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [1,1,0,0,0,0|2,0,0]=4 1142 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [1,1,0,0,0,0|2,0,0]=4 1143 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [1,1,0,0,0,0|2,0,0]=4 1145 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [1,1,0,0,0,0|2,0,0]=4 1146 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [1,1,0,0,0,0|2,0,0]=4 1149 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [1,1,0,0,0,0|2,0,0]=4 1150 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [1,1,0,0,0,0|2,0,0]=4 1151 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [1,1,0,0,0,0|2,0,0]=4 1152 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [1,1,0,0,0,0|2,0,0]=4 1154 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [1,1,0,0,0,0|2,0,0]=4 1155 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [1,1,0,0,0,0|2,0,0]=4 1156 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,1,0,0,0,0|1,0,0]=3 1157 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,1,0,0,0,0|1,0,0]=3 1158 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [1,1,0,0,0,0|2,0,0]=4 1159 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [1,1,0,0,0,0|2,0,0]=4 1160 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [1,1,0,0,0,0|1,0,0]=3 1161 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [1,1,0,0,0,0|1,0,0]=3 1162 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [1,1,0,0,0,0|2,0,0]=4 1164 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [1,1,0,0,0,0|2,0,0]=4 1165 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [1,1,0,0,0,0|2,0,0]=4 1166 B8R1.1 N#Cc1cc(cs1)O 271570a_203496583355_100000742465 [1,1,0,0,0,0|0,0,2]=4 1167 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [1,1,0,0,0,0|0,0,2]=4 1168 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [1,1,0,0,0,0|0,1,0]=3 1169 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [1,1,0,0,0,0|0,0,0]=2 1170 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [1,1,0,0,0,0|1,0,0]=3 1171 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [1,1,0,0,0,0|1,0,0]=3 1172 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,1,0,0,0,0|1,0,1]=4 1173 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,1,0,0,0,0|1,0,1]=4 1174 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [1,1,0,0,0,0|1,0,0]=3 1175 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [1,1,0,0,0,0|1,1,0]=4 1176 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,1,0,0,0,0|1,0,0]=3 1177 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [1,1,0,0,0,0|2,0,0]=4 1178 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [1,1,0,0,0,0|2,0,0]=4 1179 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [1,1,0,0,0,0|2,0,0]=4 1180 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [1,1,0,0,0,0|1,0,0]=3 1181 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [1,1,0,0,0,0|1,0,0]=3 1182 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [1,1,0,0,0,0|2,0,0]=4 1183 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [1,1,0,0,0,0|2,0,0]=4 1184 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [1,1,0,0,0,0|2,0,0]=4 1186 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [1,1,0,0,0,0|2,0,0]=4 1187 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [1,1,0,0,0,0|2,0,0]=4 1188 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [1,1,0,0,0,0|2,0,0]=4 1189 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [1,1,0,0,0,0|2,0,0]=4 1190 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,1,0,0,0,0|0,1,1]=4 1191 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,1,0,0,0,0|0,0,1]=3 1192 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,1,0,0,0,0|1,0,1]=4 1193 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,1,0,0,0,0|1,0,1]=4 1194 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [1,1,0,0,0,0|0,0,2]=4 1195 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,1,0,0,0,0|0,0,2]=4 1196 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,1,0,0,0,0|2,0,0]=4 1197 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,1,0,0,0,0|2,0,0]=4 1198 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [1,1,0,0,0,0|2,0,0]=4 1199 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,1,0,0,0,0|1,0,0]=3 1200 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,1,0,0,0,0|1,0,0]=3 1201 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,1,0,0,0,0|1,0,0]=3 1202 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,1,0,0,0,0|1,0,0]=3 1203 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,1,0,0,0,0|1,0,0]=3 1204 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [1,1,0,0,0,0|2,0,0]=4 1205 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [1,1,0,0,0,0|2,0,0]=4 1206 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,1,0,0,0,0|1,0,0]=3 1207 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,1,0,0,0,0|1,0,0]=3 1208 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1209 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [1,1,0,0,0,0|2,0,0]=4 1210 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [1,1,0,0,0,0|0,0,2]=4 1211 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [1,1,0,0,0,0|2,0,0]=4 1212 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,1,0,0,0,0|1,0,1]=4 1213 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,1,0,0,0,0|1,0,0]=3 1214 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [1,1,0,0,0,0|2,0,0]=4 1215 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,1,0,0,0,0|1,0,0]=3 1216 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [0,1,0,0,0,1|2,0,0]=4 1218 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [0,1,0,0,0,1|1,0,0]=3 1219 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [0,1,0,0,0,1|2,0,0]=4 1220 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [0,1,0,0,0,1|2,0,0]=4 1221 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [0,1,0,0,0,1|2,0,0]=4 1222 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [0,1,0,0,0,1|2,0,0]=4 1223 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [0,1,0,0,0,1|2,0,0]=4 1224 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [0,1,0,0,0,1|2,0,0]=4 1225 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [0,1,0,0,0,1|1,0,0]=3 1226 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [0,1,0,0,0,1|2,0,0]=4 1227 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [0,1,0,0,0,1|2,0,0]=4 1228 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [0,1,0,0,0,1|2,0,0]=4 1229 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [0,1,0,0,0,1|1,0,0]=3 1230 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [0,1,0,0,0,1|2,0,0]=4 1231 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [0,1,0,0,0,1|2,0,0]=4 1232 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [0,1,0,0,0,1|2,0,0]=4 1233 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,1,0,0,0,1|2,0,0]=4 1234 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,1,0,0,0,1|2,0,0]=4 1235 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,1,0,0,0,1|2,0,0]=4 1236 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,1,0,0,0,1|2,0,0]=4 1237 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,1,0,0,0,1|2,0,0]=4 1238 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,1,0,0,0,1|2,0,0]=4 1239 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,1,0,0,0,1|2,0,0]=4 1240 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,1,0,0,0,1|2,0,0]=4 1241 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,1,0,0,0,1|2,0,0]=4 1242 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,1,0,0,0,1|2,0,0]=4 1243 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,1,0,0,0,1|2,0,0]=4 1244 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 1245 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 1246 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,1,0,0,0,1|2,0,0]=4 1247 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,1,0,0,0,1|2,0,0]=4 1248 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,1,0,0,0,1|2,0,0]=4 1249 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,1,0,0,0,1|2,0,0]=4 1250 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,1,0,0,0,1|2,0,0]=4 1251 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,1,0,0,0,1|2,0,0]=4 1252 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,1,0,0,0,1|2,0,0]=4 1253 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,1,0,0,0,1|2,0,0]=4 1254 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,1,0,0,0,1|2,0,0]=4 1255 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,1,0,0,0,1|2,0,0]=4 1256 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,1,0,0,0,1|2,0,0]=4 1257 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,1,0,0,0,1|2,0,0]=4 1258 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,1,0,0,0,1|2,0,0]=4 1259 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,1,0,0,0,1|2,0,0]=4 1260 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,1,0,0,0,1|2,0,0]=4 1261 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,1,0,0,0,1|2,0,0]=4 1262 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,1,0,0,0,1|2,0,0]=4 1263 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,1,0,0,0,1|2,0,0]=4 1264 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,1,0,0,0,1|2,0,0]=4 1265 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,1,0,0,0,1|2,0,0]=4 1266 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,1,0,0,0,1|2,0,0]=4 1267 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,1,0,0,0,1|2,0,0]=4 1268 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,1,0,0,0,1|2,0,0]=4 1269 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,1,0,0,0,1|2,0,0]=4 1270 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,1,0,0,0,1|2,0,0]=4 1271 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 1272 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,1,0,0,0,1|2,0,0]=4 1273 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 1274 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,1,0,0,0,1|2,0,0]=4 1275 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,1,0,0,0,1|2,0,0]=4 1276 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,1,0,0,0,1|2,0,0]=4 1277 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,1,0,0,0,1|2,0,0]=4 1278 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,1,0,0,0,1|2,0,0]=4 1279 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,1,0,0,0,1|2,0,0]=4 1280 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,1,0,0,0,1|2,0,0]=4 1281 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,1,0,0,0,1|2,0,0]=4 1282 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,1,0,0,0,1|2,0,0]=4 1283 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,1,0,0,0,1|2,0,0]=4 1284 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,1,0,0,0,1|2,0,0]=4 1285 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,1,0,0,0,1|2,0,0]=4 1286 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,1,0,0,0,1|2,0,0]=4 1287 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,1,0,0,0,1|2,0,0]=4 1288 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,1,0,0,0,1|2,0,0]=4 1289 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [0,1,0,0,0,1|2,0,0]=4 1290 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,1,0,0,0,1|2,0,0]=4 1291 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,1,0,0,0,1|2,0,0]=4 1292 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,1,0,0,0,1|2,0,0]=4 1293 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,1,0,0,0,1|2,0,0]=4 1294 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,1,0,0,0,1|2,0,0]=4 1295 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,1,0,0,0,1|2,0,0]=4 1296 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,1,0,0,0,1|2,0,0]=4 1297 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,1,0,0,0,1|2,0,0]=4 1298 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,1,0,0,0,1|2,0,0]=4 1299 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,1,0,0,0,1|2,0,0]=4 1300 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,1,0,0,0,1|2,0,0]=4 1301 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,1,0,0,0,1|2,0,0]=4 1302 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,1,0,0,0,1|2,0,0]=4 1303 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,1,0,0,0,1|2,0,0]=4 1304 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,1,0,0,0,1|1,0,0]=3 1305 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,1,0,0,0,1|1,0,0]=3 1306 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,1,0,0,0,1|1,0,0]=3 1307 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,1,0,0,0,1|1,0,0]=3 1308 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,1,0,0,0,1|1,0,0]=3 1309 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,1,0,0,0,1|1,0,0]=3 1310 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,1,0,0,0,1|1,0,0]=3 1311 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,1,0,0,0,1|1,0,0]=3 1312 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,1,0,0,0,1|1,0,0]=3 1313 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,1,0,0,0,1|1,0,0]=3 1314 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,1,0,0,0,1|1,0,0]=3 1315 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,1,0,0,0,1|1,0,0]=3 1316 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,1,0,0,0,1|2,0,0]=4 1317 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,1,0,0,0,1|2,0,0]=4 1318 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,1,0,0,0,1|2,0,0]=4 1319 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,1,0,0,0,1|2,0,0]=4 1320 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,1,0,0,0,1|2,0,0]=4 1321 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,1,0,0,0,1|2,0,0]=4 1322 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,1,0,0,0,1|2,0,0]=4 1323 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,1,0,0,0,1|2,0,0]=4 1324 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,1,0,0,0,1|2,0,0]=4 1325 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,1,0,0,0,1|2,0,0]=4 1326 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,1,0,0,0,1|2,0,0]=4 1327 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,1,0,0,0,1|2,0,0]=4 1328 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,1,0,0,0,1|2,0,0]=4 1329 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,1,0,0,0,1|2,0,0]=4 1330 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,1,0,0,0,1|2,0,0]=4 1331 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,1,0,0,0,1|2,0,0]=4 1332 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,1,0,0,0,1|2,0,0]=4 1333 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,1,0,0,0,1|2,0,0]=4 1334 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,1,0,0,0,1|2,0,0]=4 1335 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,1,0,0,0,1|2,0,0]=4 1336 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,1,0,0,0,1|2,0,0]=4 1337 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,1,0,0,0,1|2,0,0]=4 1338 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,1,0,0,0,1|2,0,0]=4 1339 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,1,0,0,0,1|2,0,0]=4 1340 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,1,0,0,0,1|2,0,0]=4 1341 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,1,0,0,0,1|2,0,0]=4 1342 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,1,0,0,0,1|2,0,0]=4 1343 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,1,0,0,0,1|2,0,0]=4 1344 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [0,1,0,0,0,1|2,0,0]=4 1345 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [0,1,0,0,0,1|2,0,0]=4 1346 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,1,0,0,0,1|2,0,0]=4 1347 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,1,0,0,0,1|2,0,0]=4 1348 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [0,1,0,0,0,1|2,0,0]=4 1349 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [0,1,0,0,0,1|2,0,0]=4 1350 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,1,0,0,0,1|2,0,0]=4 1351 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,1,0,0,0,1|2,0,0]=4 1352 B10R1.17 FCCSc1ncccn1 62a_100000211032_100011217306 [0,1,0,0,0,1|2,0,0]=4 1353 B10R1.17 FCCSc1ncccn1 62a_100011217306_100000211032 [0,1,0,0,0,1|2,0,0]=4 1354 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,1,0,0,0,1|2,0,0]=4 1355 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,1,0,0,0,1|2,0,0]=4 1356 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,1,0,0,0,1|2,0,0]=4 1357 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,1,0,0,0,1|2,0,0]=4 1358 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,1,0,0,0,1|2,0,0]=4 1359 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,1,0,0,0,1|2,0,0]=4 1360 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,1,0,0,0,1|2,0,0]=4 1361 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,1,0,0,0,1|2,0,0]=4 1362 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,1,0,0,0,1|2,0,0]=4 1363 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,1,0,0,0,1|2,0,0]=4 1364 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,1,0,0,0,1|2,0,0]=4 1365 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,1,0,0,0,1|2,0,0]=4 1366 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,1,0,0,0,1|2,0,0]=4 1367 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,1,0,0,0,1|2,0,0]=4 1368 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,1,0,0,0,1|2,0,0]=4 1369 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [0,1,0,0,0,1|2,0,0]=4 1370 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [0,1,0,0,0,1|2,0,0]=4 1371 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,1,0,0,0,1|2,0,0]=4 1372 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [0,1,0,0,0,1|2,0,0]=4 1373 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [0,1,0,0,0,1|2,0,0]=4 1374 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,1,0,0,0,1|2,0,0]=4 1375 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [0,1,0,0,0,1|2,0,0]=4 1376 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,1,0,0,0,1|2,0,0]=4 1377 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,1,0,0,0,1|2,0,0]=4 1378 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,1,0,0,0,1|2,0,0]=4 1379 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,1,0,0,0,1|2,0,0]=4 1380 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,1,0,0,0,1|2,0,0]=4 1381 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,1,0,0,0,1|2,0,0]=4 1382 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,1,0,0,0,1|2,0,0]=4 1383 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,1,0,0,0,1|2,0,0]=4 1384 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,1,0,0,0,1|2,0,0]=4 1385 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,1,0,0,0,1|2,0,0]=4 1386 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,1,0,0,0,1|2,0,0]=4 1387 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [0,1,0,0,0,1|2,0,0]=4 1388 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [0,1,0,0,0,1|2,0,0]=4 1389 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,1,0,0,0,1|2,0,0]=4 1390 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,1,0,0,0,1|2,0,0]=4 1391 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [0,1,0,0,0,1|2,0,0]=4 1392 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [0,1,0,0,0,1|2,0,0]=4 1393 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,1,0,0,0,1|2,0,0]=4 1394 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,1,0,0,0,1|2,0,0]=4 1395 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [0,1,0,0,0,1|2,0,0]=4 1396 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [0,1,0,0,0,1|2,0,0]=4 1397 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,1,0,0,0,1|1,0,0]=3 1398 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,1,0,0,0,1|1,0,0]=3 1399 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,1,0,0,0,1|1,0,0]=3 1400 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,1,0,0,0,1|2,0,0]=4 1401 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,1,0,0,0,1|2,0,0]=4 1402 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,1,0,0,0,1|2,0,0]=4 1403 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,1,0,0,0,1|2,0,0]=4 1404 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,1,0,0,0,1|2,0,0]=4 1405 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,1,0,0,0,1|2,0,0]=4 1406 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,1,0,0,0,1|2,0,0]=4 1407 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,1,0,0,0,1|2,0,0]=4 1408 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,1,0,0,0,1|2,0,0]=4 1409 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,1,0,0,0,1|2,0,0]=4 1410 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,1,0,0,0,1|2,0,0]=4 1411 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,1,0,0,0,1|2,0,0]=4 1412 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,1,0,0,0,1|2,0,0]=4 1413 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,1,0,0,0,1|2,0,0]=4 1414 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 2230a_100159270200_200025704644 [0,2,0,0,0,0|2,0,0]=4 1415 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 34a_100159270200_200025704644 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.14 CC(N[13CH3])c1ccc(s1)Br 2230a_100102723530_200025704644 [0,2,0,0,0,0|2,0,0]=4 1417 B10R1.14 CC(N[13CH3])c1ccc(s1)Cl 2230a_100102723459_200025704644 [0,2,0,0,0,0|2,0,0]=4 1418 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,2,0,0,0,0|1,0,1]=4 1419 B10R1.14 CNC(C)c1cc(cs1)Br 2230a_100159270200_200000210301 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.14 CNC(C)c1cc(cs1)Br 269862a_106832991636_100000718618 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.14 CNC(C)c1cc(cs1)Br 34a_100159270200_200000210301 [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.14 CNC(C)c1cc(cs1)C 269862a_106832991636_100000034720 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.14 CNC(C)c1cc(cs1)Cl 269862a_106832991636_100000061699 [0,2,0,0,0,0|2,0,0]=4 1424 B10R1.14 CNC(C)c1ccc(s1)Br 2230a_100102723530_200000210301 [0,2,0,0,0,0|2,0,0]=4 1425 B10R1.14 CNC(C)c1ccc(s1)Br 269862a_106832991636_100000183331 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.14 CNC(C)c1ccc(s1)Cl 2230a_100102723459_200000210301 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.14 CNC(C)c1ccc(s1)Cl 269862a_106832991636_100000182421 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.14 CNC(C)c1ccc(s1)I 269862a_106832991636_200000034408 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,2,0,0,0,0|1,0,1]=4 1431 B10R1.16 C#CCSc1cc(cs1)C 62a_100000038162_100009876951 [0,2,0,0,0,0|1,0,1]=4 1432 B10R1.16 C#CCSc1ccc(s1)Br 62a_100000038162_100010197418 [0,2,0,0,0,0|1,0,1]=4 1433 B10R1.16 C#CCSc1ccc(s1)C 62a_100000038162_100000031368 [0,2,0,0,0,0|1,0,1]=4 1434 B10R1.16 C=CCSc1cc(cs1)C 62a_100000210623_100009876951 [0,2,0,0,0,0|1,0,1]=4 1435 B10R1.16 C=CCSc1cc(cs1)C 62a_100009876951_100000210623 [0,2,0,0,0,0|1,0,1]=4 1436 B10R1.16 C=CCSc1ccc(s1)Br 62a_100000210623_100010197418 [0,2,0,0,0,0|1,0,1]=4 1437 B10R1.16 C=CCSc1ccc(s1)Br 62a_100010197418_100000210623 [0,2,0,0,0,0|1,0,1]=4 1438 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,2,0,0,0,0|1,0,1]=4 1439 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,2,0,0,0,0|1,0,1]=4 1440 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,2,0,0,0,0|1,0,0]=3 1441 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [0,2,0,0,0,0|2,0,0]=4 1442 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,2,0,0,0,0|1,0,0]=3 1443 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,2,0,0,0,0|1,0,0]=3 1444 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [0,2,0,0,0,0|2,0,0]=4 1448 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [0,2,0,0,0,0|1,0,0]=3 1451 B10R1.16 CCCSc1cc(ns1)C 62a_100000210303_100009815735 [0,2,0,0,0,0|2,0,0]=4 1452 B10R1.16 CCCSc1cc(ns1)C 62a_100009815735_100000210303 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.16 CCCSc1ccc(s1)Br 62a_100000210303_100010197418 [0,2,0,0,0,0|1,0,0]=3 1454 B10R1.16 CCCSc1ccc(s1)Br 62a_100010197418_100000210303 [0,2,0,0,0,0|1,0,0]=3 1455 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,2,0,0,0,0|1,0,0]=3 1456 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,2,0,0,0,0|1,0,0]=3 1457 B10R1.16 CCCSc1cnc(s1)Br 62a_100000210303_100012357534 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.16 CCCSc1cnc(s1)Br 62a_100012357534_100000210303 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.16 CCCSc1cnc(s1)C 62a_100000210303_100000764884 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.16 CCCSc1cnc(s1)C 62a_100000764884_100000210303 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.16 CCCSc1cnc(s1)N 62a_100000210303_100000718969 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.16 CCCSc1cnc(s1)N 62a_100000718969_100000210303 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.16 CCCSc1nc(cs1)Br 62a_100000210303_200016082925 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.16 CCCSc1nc(cs1)Br 62a_200016082925_100000210303 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.16 CCCSc1nc(cs1)C 62a_100000210303_100011291629 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.16 CCCSc1nc(cs1)C 62a_100011291629_100000210303 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.16 CCCSc1nc(cs1)N 62a_100000210303_200015188442 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.16 CCCSc1nc(cs1)N 62a_200015188442_100000210303 [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.16 CCCSc1ncc(s1)C 62a_100000210303_100000690809 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.16 CCCSc1ncc(s1)C 62a_100000690809_100000210303 [0,2,0,0,0,0|2,0,0]=4 1471 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [0,2,0,0,0,0|1,1,0]=4 1473 B10R1.16 CCNCc1cc(cs1)Br 207a_100015525214_100000211722 [0,2,0,0,0,0|1,0,0]=3 1474 B10R1.16 CCNCc1cc(cs1)Br 2230a_100000741024_100000210202 [0,2,0,0,0,0|1,0,0]=3 1475 B10R1.16 CCNCc1cc(cs1)Br 2230a_100015525214_100000746031 [0,2,0,0,0,0|1,0,0]=3 1476 B10R1.16 CCNCc1cc(cs1)Br 270004a_100015525214_100000211722 [0,2,0,0,0,0|1,0,0]=3 1477 B10R1.16 CCNCc1cc(cs1)Br 34a_100000741024_100000210202 [0,2,0,0,0,0|1,0,0]=3 1478 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [0,2,0,0,0,0|1,0,0]=3 1479 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [0,2,0,0,0,0|1,0,0]=3 1480 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [0,2,0,0,0,0|1,0,0]=3 1481 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [0,2,0,0,0,0|1,0,0]=3 1482 B10R1.16 CCNCc1cc(cs1)Cl 207a_100015525214_100000102487 [0,2,0,0,0,0|1,0,0]=3 1483 B10R1.16 CCNCc1cc(cs1)Cl 270004a_100015525214_100000102487 [0,2,0,0,0,0|1,0,0]=3 1484 B10R1.16 CCNCc1cc(cs1)I 207a_100015525214_100010179861 [0,2,0,0,0,0|1,0,0]=3 1485 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [0,2,0,0,0,0|1,1,0]=4 1486 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [0,2,0,0,0,0|1,1,0]=4 1487 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [0,2,0,0,0,0|1,1,0]=4 1488 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,2,0,0,0,0|1,1,0]=4 1489 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,2,0,0,0,0|1,1,0]=4 1490 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,2,0,0,0,0|1,1,0]=4 1491 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [0,2,0,0,0,0|1,1,0]=4 1492 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [0,2,0,0,0,0|1,1,0]=4 1493 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [0,2,0,0,0,0|1,1,0]=4 1494 B10R1.16 CCNCc1ccc(s1)Br 207a_100015525214_100000179771 [0,2,0,0,0,0|1,0,0]=3 1495 B10R1.16 CCNCc1ccc(s1)Br 2230a_100015525214_100000708592 [0,2,0,0,0,0|1,0,0]=3 1496 B10R1.16 CCNCc1ccc(s1)Br 270004a_100015525214_100000179771 [0,2,0,0,0,0|1,0,0]=3 1497 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,2,0,0,0,0|1,0,0]=3 1498 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,2,0,0,0,0|1,0,0]=3 1499 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,2,0,0,0,0|1,0,0]=3 1500 B10R1.16 CCNCc1ccc(s1)Cl 207a_100015525214_100000242774 [0,2,0,0,0,0|1,0,0]=3 1501 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100000737310_100000210202 [0,2,0,0,0,0|1,0,0]=3 1502 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100015525214_100000185097 [0,2,0,0,0,0|1,0,0]=3 1503 B10R1.16 CCNCc1ccc(s1)Cl 270004a_100015525214_100000242774 [0,2,0,0,0,0|1,0,0]=3 1504 B10R1.16 CCNCc1cnc(s1)Br 2230a_100000726991_100000210202 [0,2,0,0,0,0|2,0,0]=4 1505 B10R1.16 CCNCc1cnc(s1)Br 2230a_100015525214_100000717027 [0,2,0,0,0,0|2,0,0]=4 1506 B10R1.16 CCNCc1cnc(s1)Br 270004a_100015525214_100009814069 [0,2,0,0,0,0|2,0,0]=4 1507 B10R1.16 CCNCc1cnc(s1)C 207a_100015525214_100000740557 [0,2,0,0,0,0|2,0,0]=4 1508 B10R1.16 CCNCc1cnc(s1)C 2230a_100015525214_100020635045 [0,2,0,0,0,0|2,0,0]=4 1509 B10R1.16 CCNCc1cnc(s1)C 2230a_200000743601_100000210202 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.16 CCNCc1cnc(s1)C 270004a_100015525214_100000740557 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100000726635_100000210202 [0,2,0,0,0,0|2,0,0]=4 1512 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100015525214_100000058068 [0,2,0,0,0,0|2,0,0]=4 1513 B10R1.16 CCNCc1cnc(s1)Cl 270004a_100015525214_100000696999 [0,2,0,0,0,0|2,0,0]=4 1514 B10R1.16 CCNCc1nc(cs1)Br 270004a_100015525214_100009816814 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.16 CCNCc1nc(cs1)C 207a_100015525214_100000756994 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.16 CCNCc1nc(cs1)C 2230a_100015183719_100000210202 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.16 CCNCc1nc(cs1)C 270004a_100015525214_100000756994 [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.16 CCNCc1ncc(s1)Br 270004a_100015525214_100000699580 [0,2,0,0,0,0|2,0,0]=4 1519 B10R1.16 CCNCc1ncc(s1)C 207a_100015525214_100011361622 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.16 CCNCc1ncc(s1)C 270004a_100015525214_100011361622 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.16 CCNCc1ncc(s1)Cl 270004a_100015525214_100000699884 [0,2,0,0,0,0|2,0,0]=4 1522 B10R1.16 CCOCc1cc(cs1)Br 34a_100000238369_100000210202 [0,2,0,0,0,0|1,0,0]=3 1523 B10R1.16 CCOCc1cc(cs1)Br 34a_100121572206_100000746031 [0,2,0,0,0,0|1,0,0]=3 1524 B10R1.16 CCOCc1cc(cs1)Br 7a_100000238369_100000210202 [0,2,0,0,0,0|1,0,0]=3 1525 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [0,2,0,0,0,0|1,0,0]=3 1526 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [0,2,0,0,0,0|1,0,0]=3 1527 B10R1.16 CCOCc1cc(cs1)O 271570a_203496583355_100011542529 [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [0,2,0,0,0,0|1,1,0]=4 1529 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [0,2,0,0,0,0|1,1,0]=4 1530 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,2,0,0,0,0|1,1,0]=4 1531 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,2,0,0,0,0|1,1,0]=4 1532 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [0,2,0,0,0,0|1,0,0]=3 1533 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,2,0,0,0,0|1,0,0]=3 1534 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [0,2,0,0,0,0|1,0,0]=3 1535 B10R1.16 CCOCc1cnc(s1)Br 34a_100121572206_100000717027 [0,2,0,0,0,0|2,0,0]=4 1536 B10R1.16 CCOCc1cnc(s1)Br 7a_100009816753_100000210202 [0,2,0,0,0,0|2,0,0]=4 1537 B10R1.16 CCOCc1cnc(s1)C 34a_100121572206_100020635045 [0,2,0,0,0,0|2,0,0]=4 1538 B10R1.16 CCOCc1cnc(s1)C 7a_100000743366_100000210202 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.16 CCOCc1cnc(s1)Cl 34a_100121572206_100000058068 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.16 CCOCc1cnc(s1)Cl 7a_100000697714_100000210202 [0,2,0,0,0,0|2,0,0]=4 1541 B10R1.16 CCOCc1cnc(s1)N 7a_100011997359_100000210202 [0,2,0,0,0,0|2,0,0]=4 1542 B10R1.16 CCOCc1nc(cs1)Br 7a_100012000107_100000210202 [0,2,0,0,0,0|2,0,0]=4 1543 B10R1.16 CCSCc1cc(cs1)Br 62a_100000210202_100000746031 [0,2,0,0,0,0|1,0,0]=3 1544 B10R1.16 CCSCc1cc(cs1)Br 62a_100000746031_100000210202 [0,2,0,0,0,0|1,0,0]=3 1545 B10R1.16 CCSCc1ccc(s1)Br 62a_100000210202_100000708592 [0,2,0,0,0,0|1,0,0]=3 1546 B10R1.16 CCSCc1ccc(s1)Br 62a_100000708592_100000210202 [0,2,0,0,0,0|1,0,0]=3 1547 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000185097_100000210202 [0,2,0,0,0,0|1,0,0]=3 1548 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000210202_100000185097 [0,2,0,0,0,0|1,0,0]=3 1549 B10R1.16 CCSCc1cnc(s1)Br 62a_100000210202_100000717027 [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.16 CCSCc1cnc(s1)Br 62a_100000717027_100000210202 [0,2,0,0,0,0|2,0,0]=4 1551 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [0,2,0,0,0,0|2,0,0]=4 1553 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000058068_100000210202 [0,2,0,0,0,0|2,0,0]=4 1554 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000210202_100000058068 [0,2,0,0,0,0|2,0,0]=4 1555 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,2,0,0,0,0|0,1,0]=3 1556 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,2,0,0,0,0|0,1,0]=3 1557 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,2,0,0,0,0|0,0,0]=2 1558 B10R1.16 CNCCc1csc(n1)C 2230a_102495365028_200000210301 [0,2,0,0,0,0|2,0,0]=4 1559 B10R1.16 CNCCc1csc(n1)C 2230a_106832991635_100000695623 [0,2,0,0,0,0|2,0,0]=4 1560 B10R1.16 CNCCc1csc(n1)C 34a_100102657272_100000695623 [0,2,0,0,0,0|2,0,0]=4 1561 B10R1.16 CNCCc1csc(n1)C 34a_102495365028_200000210301 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.16 CNCCc1csc(n1)C 7a_106832991635_100000695623 [0,2,0,0,0,0|2,0,0]=4 1563 B10R1.16 CNCCc1nc(cs1)C 2230a_100000736835_200000210301 [0,2,0,0,0,0|1,0,0]=3 1564 B10R1.16 CNCCc1nnc(s1)C 2230a_100000733084_200000210301 [0,2,0,0,0,0|2,0,0]=4 1565 B10R1.16 CNCCn1cc(cn1)Br 2230a_100000730845_200000210301 [0,2,0,0,0,0|2,0,0]=4 1566 B10R1.16 CNCCn1cc(cn1)Br 34a_100000730845_200000210301 [0,2,0,0,0,0|2,0,0]=4 1567 B10R1.16 CNCCn1cc(cn1)Cl 2230a_106832991635_100011353933 [0,2,0,0,0,0|2,0,0]=4 1568 B10R1.16 CNCCn1cc(cn1)Cl 34a_200000238484_200000210301 [0,2,0,0,0,0|2,0,0]=4 1569 B10R1.16 CNCCn1cc(cn1)Cl 7a_106832991635_100011353933 [0,2,0,0,0,0|2,0,0]=4 1570 B10R1.16 CNCCn1ccc(n1)C 2230a_106832991635_200011934056 [0,2,0,0,0,0|2,0,0]=4 1571 B10R1.16 CNCCn1ccc(n1)C 7a_106832991635_200011934056 [0,2,0,0,0,0|2,0,0]=4 1572 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,2,0,0,0,0|1,1,0]=4 1573 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,2,0,0,0,0|1,1,0]=4 1574 B10R1.16 COCCc1cnc(s1)N 7a_100000124125_200000210301 [0,2,0,0,0,0|2,0,0]=4 1575 B10R1.16 COCSc1cc(cs1)C 62a_100000766300_100009876951 [0,2,0,0,0,0|2,0,0]=4 1576 B10R1.16 COCSc1cc(cs1)C 62a_100009876951_100000766300 [0,2,0,0,0,0|2,0,0]=4 1577 B10R1.16 COCSc1ccc(s1)Br 62a_100000766300_100010197418 [0,2,0,0,0,0|2,0,0]=4 1578 B10R1.16 COCSc1ccc(s1)Br 62a_100010197418_100000766300 [0,2,0,0,0,0|2,0,0]=4 1579 B10R1.16 COCSc1ccc(s1)C 62a_100000031368_100000766300 [0,2,0,0,0,0|2,0,0]=4 1580 B10R1.16 COCSc1ccc(s1)C 62a_100000766300_100000031368 [0,2,0,0,0,0|2,0,0]=4 1581 B10R1.16 CSCSc1cc(cs1)C 62a_100009876951_100011218213 [0,2,0,0,0,0|2,0,0]=4 1582 B10R1.16 CSCSc1cc(cs1)C 62a_100011218213_100009876951 [0,2,0,0,0,0|2,0,0]=4 1583 B10R1.16 CSCSc1ccc(s1)Br 62a_100010197418_100011218213 [0,2,0,0,0,0|2,0,0]=4 1584 B10R1.16 CSCSc1ccc(s1)Br 62a_100011218213_100010197418 [0,2,0,0,0,0|2,0,0]=4 1585 B10R1.16 CSCSc1ccc(s1)C 62a_100000031368_100011218213 [0,2,0,0,0,0|2,0,0]=4 1586 B10R1.16 CSCSc1ccc(s1)C 62a_100011218213_100000031368 [0,2,0,0,0,0|2,0,0]=4 1587 B10R1.16 Cc1cc(sn1)SCCF 62a_100009815735_100011217306 [0,2,0,0,0,0|2,0,0]=4 1588 B10R1.16 Cc1cc(sn1)SCCF 62a_100011217306_100009815735 [0,2,0,0,0,0|2,0,0]=4 1589 B10R1.16 Cc1cc(sn1)SCCO 62a_100000211926_100009815735 [0,2,0,0,0,0|2,0,0]=4 1590 B10R1.16 Cc1cc(sn1)SCCO 62a_100009815735_100000211926 [0,2,0,0,0,0|2,0,0]=4 1591 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,2,0,0,0,0|0,1,0]=3 1592 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,2,0,0,0,0|0,1,0]=3 1593 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,2,0,0,0,0|1,1,0]=4 1594 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,2,0,0,0,0|1,1,0]=4 1595 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [0,2,0,0,0,0|1,1,0]=4 1596 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [0,2,0,0,0,0|1,1,0]=4 1597 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [0,2,0,0,0,0|1,1,0]=4 1598 B10R1.16 Cc1ccc(s1)COCF 34a_100000238367_100015361967 [0,2,0,0,0,0|1,0,0]=3 1599 B10R1.16 Cc1ccc(s1)SCC#N 62a_100000031368_100011215382 [0,2,0,0,0,0|0,0,2]=4 1600 B10R1.16 Cc1ccc(s1)SCC#N 62a_100011215382_100000031368 [0,2,0,0,0,0|0,0,2]=4 1601 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [0,2,0,0,0,0|1,0,1]=4 1602 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [0,2,0,0,0,0|1,0,1]=4 1603 B10R1.16 Cc1ccc(s1)SCCF 62a_100000031368_100011217306 [0,2,0,0,0,0|1,0,0]=3 1604 B10R1.16 Cc1ccc(s1)SCCF 62a_100011217306_100000031368 [0,2,0,0,0,0|1,0,0]=3 1605 B10R1.16 Cc1ccc(s1)SCCO 62a_100000031368_100000211926 [0,2,0,0,0,0|1,0,0]=3 1606 B10R1.16 Cc1ccc(s1)SCCO 62a_100000211926_100000031368 [0,2,0,0,0,0|1,0,0]=3 1607 B10R1.16 Cc1cnc(s1)SCCF 62a_100000690809_100011217306 [0,2,0,0,0,0|2,0,0]=4 1608 B10R1.16 Cc1cnc(s1)SCCF 62a_100011217306_100000690809 [0,2,0,0,0,0|2,0,0]=4 1609 B10R1.16 Cc1cnc(s1)SCCO 62a_100000211926_100000690809 [0,2,0,0,0,0|2,0,0]=4 1610 B10R1.16 Cc1cnc(s1)SCCO 62a_100000690809_100000211926 [0,2,0,0,0,0|2,0,0]=4 1611 B10R1.16 Cc1csc(c1)CNCF 34a_100015204214_100015361967 [0,2,0,0,0,0|1,0,0]=3 1612 B10R1.16 Cc1csc(c1)COCF 34a_200000068372_100015361967 [0,2,0,0,0,0|1,0,0]=3 1613 B10R1.16 Cc1csc(c1)COCF 7a_200000068372_100015361967 [0,2,0,0,0,0|1,0,0]=3 1614 B10R1.16 Cc1csc(c1)SCC#N 62a_100009876951_100011215382 [0,2,0,0,0,0|0,0,2]=4 1615 B10R1.16 Cc1csc(c1)SCC#N 62a_100011215382_100009876951 [0,2,0,0,0,0|0,0,2]=4 1616 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [0,2,0,0,0,0|1,0,1]=4 1617 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [0,2,0,0,0,0|1,0,1]=4 1618 B10R1.16 Cc1csc(c1)SCCF 62a_100009876951_100011217306 [0,2,0,0,0,0|1,0,0]=3 1619 B10R1.16 Cc1csc(c1)SCCF 62a_100011217306_100009876951 [0,2,0,0,0,0|1,0,0]=3 1620 B10R1.16 Cc1csc(c1)SCCO 62a_100000211926_100009876951 [0,2,0,0,0,0|1,0,0]=3 1621 B10R1.16 Cc1csc(c1)SCCO 62a_100009876951_100000211926 [0,2,0,0,0,0|1,0,0]=3 1622 B10R1.16 Cc1csc(n1)CCN[13CH3] 2230a_100000736835_200025704644 [0,2,0,0,0,0|1,0,0]=3 1623 B10R1.16 Cc1csc(n1)SCCF 62a_100011217306_100011291629 [0,2,0,0,0,0|2,0,0]=4 1624 B10R1.16 Cc1csc(n1)SCCF 62a_100011291629_100011217306 [0,2,0,0,0,0|2,0,0]=4 1625 B10R1.16 Cc1csc(n1)SCCO 62a_100000211926_100011291629 [0,2,0,0,0,0|2,0,0]=4 1626 B10R1.16 Cc1csc(n1)SCCO 62a_100011291629_100000211926 [0,2,0,0,0,0|2,0,0]=4 1627 B10R1.16 Cc1nc(cs1)CCN[13CH3] 2230a_102495365028_200025704644 [0,2,0,0,0,0|2,0,0]=4 1628 B10R1.16 Cc1nc(cs1)CCN[13CH3] 34a_102495365028_200025704644 [0,2,0,0,0,0|2,0,0]=4 1629 B10R1.16 Cc1ncc(s1)COCF 7a_100000743366_100015361967 [0,2,0,0,0,0|2,0,0]=4 1630 B10R1.16 Cc1ncc(s1)CSCF 62a_100015361967_100020635045 [0,2,0,0,0,0|2,0,0]=4 1631 B10R1.16 Cc1ncc(s1)CSCF 62a_100020635045_100015361967 [0,2,0,0,0,0|2,0,0]=4 1632 B10R1.16 Cc1ncc(s1)SCCF 62a_100000764884_100011217306 [0,2,0,0,0,0|2,0,0]=4 1633 B10R1.16 Cc1ncc(s1)SCCF 62a_100011217306_100000764884 [0,2,0,0,0,0|2,0,0]=4 1634 B10R1.16 Cc1ncc(s1)SCCO 62a_100000211926_100000764884 [0,2,0,0,0,0|2,0,0]=4 1635 B10R1.16 Cc1ncc(s1)SCCO 62a_100000764884_100000211926 [0,2,0,0,0,0|2,0,0]=4 1636 B10R1.16 Cc1nnc(s1)CCN[13CH3] 2230a_100000733084_200025704644 [0,2,0,0,0,0|2,0,0]=4 1637 B10R1.16 FCCSc1ccc(s1)Br 62a_100010197418_100011217306 [0,2,0,0,0,0|1,0,0]=3 1638 B10R1.16 FCCSc1ccc(s1)Br 62a_100011217306_100010197418 [0,2,0,0,0,0|1,0,0]=3 1639 B10R1.16 FCCSc1cnc(s1)Br 62a_100011217306_100012357534 [0,2,0,0,0,0|2,0,0]=4 1640 B10R1.16 FCCSc1cnc(s1)Br 62a_100012357534_100011217306 [0,2,0,0,0,0|2,0,0]=4 1641 B10R1.16 FCCSc1nc(cs1)Br 62a_100011217306_200016082925 [0,2,0,0,0,0|2,0,0]=4 1642 B10R1.16 FCCSc1nc(cs1)Br 62a_200016082925_100011217306 [0,2,0,0,0,0|2,0,0]=4 1643 B10R1.16 FCNCc1cc(cs1)Br 34a_100000741024_100015361967 [0,2,0,0,0,0|1,0,0]=3 1644 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [0,2,0,0,0,0|1,1,0]=4 1645 B10R1.16 FCOCc1cc(cs1)Br 34a_100000238369_100015361967 [0,2,0,0,0,0|1,0,0]=3 1646 B10R1.16 FCOCc1cc(cs1)Br 7a_100000238369_100015361967 [0,2,0,0,0,0|1,0,0]=3 1647 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [0,2,0,0,0,0|1,1,0]=4 1648 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [0,2,0,0,0,0|1,1,0]=4 1649 B10R1.16 FCOCc1cnc(s1)Br 7a_100009816753_100015361967 [0,2,0,0,0,0|2,0,0]=4 1650 B10R1.16 FCOCc1cnc(s1)Cl 7a_100000697714_100015361967 [0,2,0,0,0,0|2,0,0]=4 1651 B10R1.16 FCOCc1nc(cs1)Br 7a_100012000107_100015361967 [0,2,0,0,0,0|2,0,0]=4 1652 B10R1.16 FCSCc1cc(cs1)Br 62a_100000746031_100015361967 [0,2,0,0,0,0|1,0,0]=3 1653 B10R1.16 FCSCc1cc(cs1)Br 62a_100015361967_100000746031 [0,2,0,0,0,0|1,0,0]=3 1654 B10R1.16 FCSCc1ccc(s1)Br 62a_100000708592_100015361967 [0,2,0,0,0,0|1,0,0]=3 1655 B10R1.16 FCSCc1ccc(s1)Br 62a_100015361967_100000708592 [0,2,0,0,0,0|1,0,0]=3 1656 B10R1.16 FCSCc1ccc(s1)Cl 62a_100000185097_100015361967 [0,2,0,0,0,0|1,0,0]=3 1657 B10R1.16 FCSCc1ccc(s1)Cl 62a_100015361967_100000185097 [0,2,0,0,0,0|1,0,0]=3 1658 B10R1.16 FCSCc1cnc(s1)Br 62a_100000717027_100015361967 [0,2,0,0,0,0|2,0,0]=4 1659 B10R1.16 FCSCc1cnc(s1)Br 62a_100015361967_100000717027 [0,2,0,0,0,0|2,0,0]=4 1660 B10R1.16 FCSCc1cnc(s1)Cl 62a_100000058068_100015361967 [0,2,0,0,0,0|2,0,0]=4 1661 B10R1.16 FCSCc1cnc(s1)Cl 62a_100015361967_100000058068 [0,2,0,0,0,0|2,0,0]=4 1662 B10R1.16 N#CCSc1ccc(s1)Br 62a_100010197418_100011215382 [0,2,0,0,0,0|0,0,2]=4 1663 B10R1.16 N#CCSc1ccc(s1)Br 62a_100011215382_100010197418 [0,2,0,0,0,0|0,0,2]=4 1664 B10R1.16 Nc1csc(n1)SCCF 62a_100011217306_200015188442 [0,2,0,0,0,0|2,0,0]=4 1665 B10R1.16 Nc1csc(n1)SCCF 62a_200015188442_100011217306 [0,2,0,0,0,0|2,0,0]=4 1666 B10R1.16 Nc1csc(n1)SCCO 62a_100000211926_200015188442 [0,2,0,0,0,0|2,0,0]=4 1667 B10R1.16 Nc1csc(n1)SCCO 62a_200015188442_100000211926 [0,2,0,0,0,0|2,0,0]=4 1668 B10R1.16 Nc1ncc(s1)COCF 7a_100011997359_100015361967 [0,2,0,0,0,0|2,0,0]=4 1669 B10R1.16 Nc1ncc(s1)SCCF 62a_100000718969_100011217306 [0,2,0,0,0,0|2,0,0]=4 1670 B10R1.16 Nc1ncc(s1)SCCF 62a_100011217306_100000718969 [0,2,0,0,0,0|2,0,0]=4 1671 B10R1.16 Nc1ncc(s1)SCCO 62a_100000211926_100000718969 [0,2,0,0,0,0|2,0,0]=4 1672 B10R1.16 Nc1ncc(s1)SCCO 62a_100000718969_100000211926 [0,2,0,0,0,0|2,0,0]=4 1673 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [0,2,0,0,0,0|1,0,1]=4 1674 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [0,2,0,0,0,0|1,0,1]=4 1675 B10R1.16 OCCSc1ccc(s1)Br 62a_100000211926_100010197418 [0,2,0,0,0,0|1,0,0]=3 1676 B10R1.16 OCCSc1ccc(s1)Br 62a_100010197418_100000211926 [0,2,0,0,0,0|1,0,0]=3 1677 B10R1.16 OCCSc1cnc(s1)Br 62a_100000211926_100012357534 [0,2,0,0,0,0|2,0,0]=4 1678 B10R1.16 OCCSc1cnc(s1)Br 62a_100012357534_100000211926 [0,2,0,0,0,0|2,0,0]=4 1679 B10R1.16 OCCSc1nc(cs1)Br 62a_100000211926_200016082925 [0,2,0,0,0,0|2,0,0]=4 1680 B10R1.16 OCCSc1nc(cs1)Br 62a_200016082925_100000211926 [0,2,0,0,0,0|2,0,0]=4 1681 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,2,0,0,0,0|0,0,0]=2 1682 B10R1.16 [13CH3]NCCn1cc(cn1)Br 2230a_100000730845_200025704644 [0,2,0,0,0,0|2,0,0]=4 1683 B10R1.16 [13CH3]NCCn1cc(cn1)Br 34a_100000730845_200025704644 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.16 [13CH3]NCCn1cc(cn1)Cl 34a_200000238484_200025704644 [0,2,0,0,0,0|2,0,0]=4 1685 B10R1.16 [13CH3]OCCc1cnc(s1)N 7a_100000124125_200025704644 [0,2,0,0,0,0|2,0,0]=4 1686 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,2,0,0,0,0|1,0,1]=4 1687 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,2,0,0,0,0|1,0,1]=4 1688 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,2,0,0,0,0|1,0,1]=4 1689 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,2,0,0,0,0|1,0,1]=4 1690 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,2,0,0,0,0|1,0,1]=4 1691 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,2,0,0,0,0|1,0,1]=4 1692 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100000210206_100010197418 [0,2,0,0,0,0|2,0,0]=4 1693 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100010197418_100000210206 [0,2,0,0,0,0|2,0,0]=4 1694 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100000207611_200000210301 [0,2,0,0,0,0|2,0,0]=4 1695 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100102631434_100000746031 [0,2,0,0,0,0|2,0,0]=4 1696 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100000207611_200000210301 [0,2,0,0,0,0|2,0,0]=4 1697 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100102631434_100000746031 [0,2,0,0,0,0|2,0,0]=4 1698 B10R1.54 CN(C)Cc1cc(cs1)Br 270004a_100102631434_100000211722 [0,2,0,0,0,0|2,0,0]=4 1699 B10R1.54 CN(C)Cc1cc(cs1)Cl 270004a_100102631434_100000102487 [0,2,0,0,0,0|2,0,0]=4 1700 B10R1.54 CN(C)Cc1ccc(s1)Br 2230a_100102631434_100000708592 [0,2,0,0,0,0|2,0,0]=4 1701 B10R1.54 CN(C)Cc1ccc(s1)Br 269982a_100102631434_100000708592 [0,2,0,0,0,0|2,0,0]=4 1702 B10R1.54 CN(C)Cc1ccc(s1)Br 270004a_100102631434_100000179771 [0,2,0,0,0,0|2,0,0]=4 1703 B10R1.54 CN(C)Cc1ccc(s1)Cl 2230a_100102631434_100000185097 [0,2,0,0,0,0|2,0,0]=4 1704 B10R1.54 CN(C)Cc1ccc(s1)Cl 269982a_100102631434_100000185097 [0,2,0,0,0,0|2,0,0]=4 1705 B10R1.54 CN(C)Cc1ccc(s1)Cl 270004a_100102631434_100000242774 [0,2,0,0,0,0|2,0,0]=4 1706 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 2230a_100000207611_200025704644 [0,2,0,0,0,0|2,0,0]=4 1707 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 269982a_100000207611_200025704644 [0,2,0,0,0,0|2,0,0]=4 1708 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,2,0,0,0,0|2,0,0]=4 1709 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,2,0,0,0,0|2,0,0]=4 1710 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,2,0,0,0,0|2,0,0]=4 1711 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,2,0,0,0,0|2,0,0]=4 1712 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,2,0,0,0,0|2,0,0]=4 1713 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000031368_100000210206 [0,2,0,0,0,0|2,0,0]=4 1714 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000210206_100000031368 [0,2,0,0,0,0|2,0,0]=4 1715 B10R1.54 Cc1csc(c1)CN(C)C 2230a_100011502060_200000210301 [0,2,0,0,0,0|2,0,0]=4 1716 B10R1.54 Cc1csc(c1)CN(C)C 269982a_100011502060_200000210301 [0,2,0,0,0,0|2,0,0]=4 1717 B10R1.54 Cc1csc(c1)CN(C)C 270004a_100102631434_100102525248 [0,2,0,0,0,0|2,0,0]=4 1718 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 2230a_100011502060_200025704644 [0,2,0,0,0,0|2,0,0]=4 1719 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 269982a_100011502060_200025704644 [0,2,0,0,0,0|2,0,0]=4 1720 B10R1.54 Cc1csc(c1)SC(C)C 62a_100000210206_100009876951 [0,2,0,0,0,0|2,0,0]=4 1721 B10R1.54 Cc1csc(c1)SC(C)C 62a_100009876951_100000210206 [0,2,0,0,0,0|2,0,0]=4 1722 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,2,0,0,0,0|1,0,1]=4 1723 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,2,0,0,0,0|1,0,1]=4 1724 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,2,0,0,0,0|1,0,1]=4 1725 B10R1.94 CNCc1scc(c1Br)Br 207a_100102657272_100012354027 [0,2,0,0,0,0|2,0,0]=4 1726 B10R1.96 C=Cc1ccc(s1)CC#N 271570a_100011290941_100000740997 [0,2,0,0,0,0|0,0,2]=4 1727 B10R1.96 C=Cc1ccc(s1)CCC 271570a_100011290941_100010157708 [0,2,0,0,0,0|1,0,0]=3 1728 B10R1.96 C=Cc1cnn(c1)CCN 271570a_100011290941_100000730845 [0,2,0,0,0,0|2,0,0]=4 1729 B10R1.96 C=Cc1csc(c1)CC#N 271570a_100011290941_100000725765 [0,2,0,0,0,0|0,0,2]=4 1730 B10R1.96 C=Cc1csc(c1)CNC 271570a_100011290941_100000207611 [0,2,0,0,0,0|2,0,0]=4 1731 B10R1.96 C=Cc1csc(c1)COC 271570a_100011290941_100011542528 [0,2,0,0,0,0|2,0,0]=4 1732 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,2,0,0,0,0|1,0,0]=3 1734 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,2,0,0,0,0|1,0,0]=3 1736 B10R1.96 CCSc1cc(cs1)C=O 62a_100000210202_100000737087 [0,2,0,0,0,0|2,0,0]=4 1737 B10R1.96 CCSc1cc(cs1)C=O 62a_100000737087_100000210202 [0,2,0,0,0,0|2,0,0]=4 1738 B10R1.96 CCSc1ccc(s1)C#N 62a_100000210202_100000737243 [0,2,0,0,0,0|2,0,0]=4 1739 B10R1.96 CCSc1ccc(s1)C=O 62a_100000179771_100000210202 [0,2,0,0,0,0|2,0,0]=4 1740 B10R1.96 CCSc1ccc(s1)C=O 62a_100000210202_100000179771 [0,2,0,0,0,0|2,0,0]=4 1741 B10R1.96 CCSc1ccc(s1)CC 62a_100000210202_100009844052 [0,2,0,0,0,0|2,0,0]=4 1742 B10R1.96 CCSc1ccc(s1)CC 62a_100009844052_100000210202 [0,2,0,0,0,0|2,0,0]=4 1743 B10R1.96 CCSc1ccc(s1)CN 62a_100000210202_100000737305 [0,2,0,0,0,0|2,0,0]=4 1744 B10R1.96 CCSc1ccc(s1)CN 62a_100000737305_100000210202 [0,2,0,0,0,0|2,0,0]=4 1745 B10R1.96 CCSc1ccc(s1)CO 62a_100000210202_100000246291 [0,2,0,0,0,0|2,0,0]=4 1746 B10R1.96 CCSc1ccc(s1)CO 62a_100000246291_100000210202 [0,2,0,0,0,0|2,0,0]=4 1747 B10R1.96 CCc1ccc(s1)CNC 207a_100102657272_100000746206 [0,2,0,0,0,0|2,0,0]=4 1748 B10R1.96 CCc1ccc(s1)CNC 270004a_106832991635_100000746206 [0,2,0,0,0,0|2,0,0]=4 1749 B10R1.96 CCc1ccc(s1)SCF 62a_100009844052_100015361967 [0,2,0,0,0,0|2,0,0]=4 1750 B10R1.96 CCc1ccc(s1)SCF 62a_100015361967_100009844052 [0,2,0,0,0,0|2,0,0]=4 1751 B10R1.96 CNCc1cc(cs1)SC 62a_100000207611_200000210301 [0,2,0,0,0,0|2,0,0]=4 1752 B10R1.96 CNCc1cc(cs1)SC 62a_200000210301_100000207611 [0,2,0,0,0,0|2,0,0]=4 1753 B10R1.96 CNCc1cc(cs1)S[13CH3] 62a_100000207611_200025704644 [0,2,0,0,0,0|2,0,0]=4 1754 B10R1.96 CNCc1cc(cs1)S[13CH3] 62a_200025704644_100000207611 [0,2,0,0,0,0|2,0,0]=4 1755 B10R1.96 CNCc1ccc(s1)C#N 207a_100102657272_100000091605 [0,2,0,0,0,0|2,0,0]=4 1756 B10R1.96 CNCc1ccc(s1)C#N 2230a_106832991635_100010188212 [0,2,0,0,0,0|2,0,0]=4 1757 B10R1.96 CNCc1ccc(s1)C#N 34a_100102657272_100010188212 [0,2,0,0,0,0|2,0,0]=4 1758 B10R1.96 CNCc1ccc(s1)C#N 7a_106832991635_100010188212 [0,2,0,0,0,0|2,0,0]=4 1759 B10R1.96 CNCc1ccc(s1)SC 207a_100102657272_100000720245 [0,2,0,0,0,0|2,0,0]=4 1760 B10R1.96 CNCc1ccc(s1)SC 270004a_106832991635_100000720245 [0,2,0,0,0,0|2,0,0]=4 1761 B10R1.96 COCc1cc(cs1)SC 62a_100011542528_200000210301 [0,2,0,0,0,0|2,0,0]=4 1762 B10R1.96 COCc1cc(cs1)SC 62a_200000210301_100011542528 [0,2,0,0,0,0|2,0,0]=4 1763 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_100011542528_200025704644 [0,2,0,0,0,0|2,0,0]=4 1764 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_200025704644_100011542528 [0,2,0,0,0,0|2,0,0]=4 1765 B10R1.96 COCc1ccc(s1)C#N 34a_100138415774_100010188212 [0,2,0,0,0,0|2,0,0]=4 1766 B10R1.96 CSCc1ccc(s1)C#N 62a_200000210301_100010188212 [0,2,0,0,0,0|2,0,0]=4 1767 B10R1.96 CSc1ccc(s1)CC#N 62a_100000740997_200000210301 [0,2,0,0,0,0|0,0,2]=4 1768 B10R1.96 CSc1ccc(s1)CC#N 62a_200000210301_100000740997 [0,2,0,0,0,0|0,0,2]=4 1769 B10R1.96 CSc1ccc(s1)CCN 62a_100000217605_200000210301 [0,2,0,0,0,0|0,0,0]=2 1770 B10R1.96 CSc1ccc(s1)CCN 62a_200000210301_100000217605 [0,2,0,0,0,0|0,0,0]=2 1771 B10R1.96 CSc1cnn(c1)CCN 62a_100000730845_200000210301 [0,2,0,0,0,0|2,0,0]=4 1772 B10R1.96 CSc1cnn(c1)CCN 62a_200000210301_100000730845 [0,2,0,0,0,0|2,0,0]=4 1773 B10R1.96 CSc1csc(c1)CC#N 62a_100000725765_200000210301 [0,2,0,0,0,0|0,0,2]=4 1774 B10R1.96 CSc1csc(c1)CC#N 62a_200000210301_100000725765 [0,2,0,0,0,0|0,0,2]=4 1775 B10R1.96 N#Cc1ccc(s1)SCF 62a_100015361967_100000737243 [0,2,0,0,0,0|2,0,0]=4 1776 B10R1.96 NCc1ccc(s1)SCF 62a_100000737305_100015361967 [0,2,0,0,0,0|2,0,0]=4 1777 B10R1.96 NCc1ccc(s1)SCF 62a_100015361967_100000737305 [0,2,0,0,0,0|2,0,0]=4 1778 B10R1.96 O=Cc1ccc(s1)SCF 62a_100000179771_100015361967 [0,2,0,0,0,0|2,0,0]=4 1779 B10R1.96 O=Cc1ccc(s1)SCF 62a_100015361967_100000179771 [0,2,0,0,0,0|2,0,0]=4 1780 B10R1.96 O=Cc1csc(c1)SCF 62a_100000737087_100015361967 [0,2,0,0,0,0|2,0,0]=4 1781 B10R1.96 O=Cc1csc(c1)SCF 62a_100015361967_100000737087 [0,2,0,0,0,0|2,0,0]=4 1782 B10R1.96 OCc1ccc(s1)SCF 62a_100000246291_100015361967 [0,2,0,0,0,0|2,0,0]=4 1783 B10R1.96 OCc1ccc(s1)SCF 62a_100015361967_100000246291 [0,2,0,0,0,0|2,0,0]=4 1784 B10R1.96 [13CH3]SCc1ccc(s1)C#N 62a_200025704644_100010188212 [0,2,0,0,0,0|2,0,0]=4 1785 B10R1.96 [13CH3]Sc1ccc(s1)CC#N 62a_100000740997_200025704644 [0,2,0,0,0,0|0,0,2]=4 1786 B10R1.96 [13CH3]Sc1ccc(s1)CC#N 62a_200025704644_100000740997 [0,2,0,0,0,0|0,0,2]=4 1787 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_100000217605_200025704644 [0,2,0,0,0,0|0,0,0]=2 1788 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_200025704644_100000217605 [0,2,0,0,0,0|0,0,0]=2 1789 B10R1.96 [13CH3]Sc1cnn(c1)CCN 62a_100000730845_200025704644 [0,2,0,0,0,0|2,0,0]=4 1790 B10R1.96 [13CH3]Sc1cnn(c1)CCN 62a_200025704644_100000730845 [0,2,0,0,0,0|2,0,0]=4 1791 B10R1.96 [13CH3]Sc1csc(c1)CC#N 62a_100000725765_200025704644 [0,2,0,0,0,0|0,0,2]=4 1792 B10R1.96 [13CH3]Sc1csc(c1)CC#N 62a_200025704644_100000725765 [0,2,0,0,0,0|0,0,2]=4 1793 B10R1.130 CCSc1sc(cc1C)C 62a_100000210202_100000689295 [0,2,0,0,0,0|2,0,0]=4 1794 B10R1.130 CCSc1sc(cc1C)C 62a_100000689295_100000210202 [0,2,0,0,0,0|2,0,0]=4 1795 B10R1.130 CNCc1sc(cc1Br)C 207a_100102657272_100011361552 [0,2,0,0,0,0|2,0,0]=4 1796 B10R1.130 CNCc1sc(cc1Br)C 270004a_106832991635_100011361552 [0,2,0,0,0,0|2,0,0]=4 1797 B10R1.130 CNCc1sc(cc1Br)Cl 207a_100102657272_100021366026 [0,2,0,0,0,0|2,0,0]=4 1798 B10R1.130 CNCc1sc(cc1Br)Cl 270004a_106832991635_100021366026 [0,2,0,0,0,0|2,0,0]=4 1799 B10R1.130 CNCc1sc(cc1C)Br 207a_100102657272_100010221198 [0,2,0,0,0,0|2,0,0]=4 1800 B10R1.130 CNCc1sc(cc1C)Br 270004a_106832991635_100010221198 [0,2,0,0,0,0|2,0,0]=4 1801 B10R1.130 CNCc1sc(cc1Cl)Br 207a_100102657272_100015463987 [0,2,0,0,0,0|2,0,0]=4 1802 B10R1.130 CNCc1sc(cc1Cl)Br 270004a_106832991635_100015463987 [0,2,0,0,0,0|2,0,0]=4 1803 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100000689295_100015361967 [0,2,0,0,0,0|2,0,0]=4 1804 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100015361967_100000689295 [0,2,0,0,0,0|2,0,0]=4 1805 B10R1.131 CCSc1cc(c(s1)C)C 62a_100000210202_100009850898 [0,2,0,0,0,0|2,0,0]=4 1806 B10R1.131 CCSc1cc(c(s1)C)C 62a_100009850898_100000210202 [0,2,0,0,0,0|2,0,0]=4 1807 B10R1.131 CNCc1cc(c(s1)Br)Br 207a_100102657272_100000763650 [0,2,0,0,0,0|2,0,0]=4 1808 B10R1.131 CNCc1cc(c(s1)Br)Br 270004a_106832991635_100000763650 [0,2,0,0,0,0|2,0,0]=4 1809 B10R1.131 CNCc1cc(c(s1)Br)C 207a_100102657272_100000761930 [0,2,0,0,0,0|2,0,0]=4 1810 B10R1.131 CNCc1cc(c(s1)Br)C 270004a_106832991635_100000761930 [0,2,0,0,0,0|2,0,0]=4 1811 B10R1.131 CNCc1cc(c(s1)C)Br 207a_100102657272_100000708457 [0,2,0,0,0,0|2,0,0]=4 1812 B10R1.131 CNCc1cc(c(s1)C)Br 270004a_106832991635_100000708457 [0,2,0,0,0,0|2,0,0]=4 1813 B10R1.131 CNCc1cc(c(s1)C)C 207a_100102657272_100011830369 [0,2,0,0,0,0|2,0,0]=4 1814 B10R1.131 CNCc1cc(c(s1)C)C 270004a_106832991635_100011830369 [0,2,0,0,0,0|2,0,0]=4 1815 B10R1.131 Cc1cc(sc1C)SCF 62a_100009850898_100015361967 [0,2,0,0,0,0|2,0,0]=4 1816 B10R1.131 Cc1cc(sc1C)SCF 62a_100015361967_100009850898 [0,2,0,0,0,0|2,0,0]=4 1817 B10R1.6 CC(C)(N[13CH3])c1cccs1 2230a_100000757009_200025704644 [0,2,0,0,0,0|2,0,0]=4 1818 B10R1.6 CC(C)(O[13CH3])c1cccs1 7a_100011410533_200025704644 [0,2,0,0,0,0|2,0,0]=4 1819 B10R1.6 CNC(C)(C)c1cccs1 2230a_100000757009_200000210301 [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.6 COC(C)(C)c1cccs1 7a_100011410533_200000210301 [0,2,0,0,0,0|2,0,0]=4 1821 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,2,0,0,0,0|2,0,0]=4 1822 B10R1.9 CCC(NC)c1ccco1 2230a_100015202707_200000210301 [0,2,0,0,0,0|1,1,0]=4 1823 B10R1.9 CCC(NC)c1ccco1 269862a_106832991636_100000749595 [0,2,0,0,0,0|1,1,0]=4 1824 B10R1.9 CCC(NC)c1cccs1 2230a_100000743277_200000210301 [0,2,0,0,0,0|1,0,0]=3 1825 B10R1.9 CCC(NC)c1cccs1 269862a_106832991636_100000211688 [0,2,0,0,0,0|1,0,0]=3 1826 B10R1.9 CCC(NC)c1nccs1 2230a_103436540099_200000210301 [0,2,0,0,0,0|2,0,0]=4 1827 B10R1.9 CCC(NC)c1nccs1 269862a_106832991636_100000031915 [0,2,0,0,0,0|2,0,0]=4 1828 B10R1.9 CCC(N[13CH3])c1ccco1 2230a_100015202707_200025704644 [0,2,0,0,0,0|1,1,0]=4 1829 B10R1.9 CCC(N[13CH3])c1cccs1 2230a_100000743277_200025704644 [0,2,0,0,0,0|1,0,0]=3 1830 B10R1.9 CCC(N[13CH3])c1nccs1 2230a_103436540099_200025704644 [0,2,0,0,0,0|2,0,0]=4 1831 B10R1.9 CNC(CO)c1cccs1 2230a_100102422791_200000210301 [0,2,0,0,0,0|1,0,0]=3 1832 B10R1.9 CN[C@@H](CO)c1nccs1 2230a_202495363701_200000210301 [0,2,0,0,0,0|2,0,0]=4 1833 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [0,2,0,0,0,0|0,1,0]=3 1834 B10R1.9 COC(CN)c1ccsc1 34a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1835 B10R1.9 [13CH3]NC(CO)c1cccs1 2230a_100102422791_200025704644 [0,2,0,0,0,0|1,0,0]=3 1836 B10R1.9 [13CH3]N[C@@H](CO)c1nccs1 2230a_202495363701_200025704644 [0,2,0,0,0,0|2,0,0]=4 1837 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [0,2,0,0,0,0|0,1,0]=3 1838 B10R1.9 [13CH3]OC(CN)c1ccsc1 34a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1839 B10R1.11 CC(OCF)c1nccs1 7a_100000751044_100015361967 [0,2,0,0,0,0|2,0,0]=4 1840 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,2,0,0,0,0|2,0,0]=4 1841 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,2,0,0,0,0|1,0,0]=3 1842 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,2,0,0,0,0|1,0,0]=3 1843 B10R1.11 CCNC(C)c1nccs1 2230a_100000725601_100000210202 [0,2,0,0,0,0|2,0,0]=4 1844 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,2,0,0,0,0|1,1,0]=4 1845 B10R1.11 CCOC(C)c1nccs1 7a_100000751044_100000210202 [0,2,0,0,0,0|2,0,0]=4 1846 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,2,0,0,0,0|1,1,0]=4 1847 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,2,0,0,0,0|1,1,0]=4 1848 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,2,0,0,0,0|1,0,0]=3 1849 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,2,0,0,0,0|1,0,1]=4 1850 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,2,0,0,0,0|0,1,1]=4 1851 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,2,0,0,0,0|0,0,1]=3 1852 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,2,0,0,0,0|0,0,1]=3 1853 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,2,0,0,0,0|1,0,1]=4 1854 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,2,0,0,0,0|0,1,0]=3 1855 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1856 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1857 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,2,0,0,0,0|1,0,0]=3 1858 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,2,0,0,0,0|1,0,1]=4 1859 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,2,0,0,0,0|1,0,1]=4 1860 B10R1.11 C[C@@H](OCF)c1cccs1 7a_100000750433_100015361967 [0,2,0,0,0,0|1,0,0]=3 1861 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,2,0,0,0,0|1,1,0]=4 1862 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,2,0,0,0,0|1,1,0]=4 1863 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,2,0,0,0,0|0,1,0]=3 1864 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1865 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1866 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,2,0,0,0,0|1,0,0]=3 1867 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,2,0,0,0,0|1,0,1]=4 1868 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,2,0,0,0,0|1,0,1]=4 1869 B10R1.23 CC(c1cccs1)N(C)C 2230a_100000186410_200000210301 [0,2,0,0,0,0|2,0,0]=4 1870 B10R1.23 CC(c1cccs1)N(C)C 269982a_100000186410_200000210301 [0,2,0,0,0,0|2,0,0]=4 1871 B10R1.23 CC(c1cccs1)N(C)[13CH3] 2230a_100000186410_200025704644 [0,2,0,0,0,0|2,0,0]=4 1872 B10R1.23 CC(c1cccs1)N(C)[13CH3] 269982a_100000186410_200025704644 [0,2,0,0,0,0|2,0,0]=4 1873 B10R1.149 CNC(C)c1sccc1Br 269862a_106832991636_100000738688 [0,2,0,0,0,0|2,0,0]=4 1874 B10R1.21 BrCCOCc1cncs1 34a_100000211926_100015185245 [0,2,0,0,0,0|2,0,0]=4 1875 B10R1.21 BrCCOCc1nccs1 34a_100000211926_100015184050 [0,2,0,0,0,0|2,0,0]=4 1876 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [0,2,0,0,0,0|1,1,0]=4 1877 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [0,2,0,0,0,0|1,1,0]=4 1878 B10R1.21 C#CCCSc1cccs1 62a_100000688953_100011215356 [0,2,0,0,0,0|1,0,0]=3 1879 B10R1.21 C#CCCSc1cccs1 62a_100011215356_100000688953 [0,2,0,0,0,0|1,0,0]=3 1880 B10R1.21 C#CCCSc1cncs1 62a_100000688953_100011934649 [0,2,0,0,0,0|2,0,0]=4 1881 B10R1.21 C#CCCSc1cncs1 62a_100011934649_100000688953 [0,2,0,0,0,0|2,0,0]=4 1882 B10R1.21 C#CCCSc1nccs1 62a_100000211983_100000688953 [0,2,0,0,0,0|2,0,0]=4 1883 B10R1.21 C#CCCSc1nccs1 62a_100000688953_100000211983 [0,2,0,0,0,0|2,0,0]=4 1884 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [0,2,0,0,0,0|1,1,0]=4 1885 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [0,2,0,0,0,0|1,1,0]=4 1886 B10R1.21 C#CCNCc1cccs1 2230a_100000211653_100000038162 [0,2,0,0,0,0|1,0,0]=3 1887 B10R1.21 C#CCNCc1cncs1 2230a_100016987365_100000038162 [0,2,0,0,0,0|2,0,0]=4 1888 B10R1.21 C#CCNCc1cncs1 34a_100000212058_100015185245 [0,2,0,0,0,0|2,0,0]=4 1889 B10R1.21 C#CCNCc1nccs1 2230a_100000740555_100000038162 [0,2,0,0,0,0|2,0,0]=4 1890 B10R1.21 C#CCNCc1nccs1 34a_100000212058_100015184050 [0,2,0,0,0,0|2,0,0]=4 1891 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [0,2,0,0,0,0|1,1,0]=4 1892 B10R1.21 C#CCOCc1cccs1 34a_100000211240_100000184674 [0,2,0,0,0,0|1,0,0]=3 1893 B10R1.21 C#CCOCc1cncs1 34a_100000210247_100015185245 [0,2,0,0,0,0|2,0,0]=4 1894 B10R1.21 C#CCOCc1nccs1 34a_100000210247_100015184050 [0,2,0,0,0,0|2,0,0]=4 1895 B10R1.21 C#CCSCc1cncs1 62a_100000038162_100015185245 [0,2,0,0,0,0|2,0,0]=4 1896 B10R1.21 C#CCSCc1nccs1 62a_100000038162_100015184050 [0,2,0,0,0,0|2,0,0]=4 1897 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,2,0,0,0,0|1,0,1]=4 1898 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,2,0,0,0,0|1,0,1]=4 1899 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,2,0,0,0,0|1,1,0]=4 1900 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,2,0,0,0,0|1,1,0]=4 1901 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [0,2,0,0,0,0|1,0,0]=3 1902 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [0,2,0,0,0,0|1,0,0]=3 1903 B10R1.21 C=CCCSc1cncs1 62a_100000754431_100011934649 [0,2,0,0,0,0|2,0,0]=4 1904 B10R1.21 C=CCCSc1cncs1 62a_100011934649_100000754431 [0,2,0,0,0,0|2,0,0]=4 1905 B10R1.21 C=CCCSc1nccs1 62a_100000211983_100000754431 [0,2,0,0,0,0|2,0,0]=4 1906 B10R1.21 C=CCCSc1nccs1 62a_100000754431_100000211983 [0,2,0,0,0,0|2,0,0]=4 1907 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,2,0,0,0,0|1,1,0]=4 1908 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,2,0,0,0,0|1,1,0]=4 1909 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,2,0,0,0,0|1,1,0]=4 1910 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,2,0,0,0,0|1,0,0]=3 1911 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,2,0,0,0,0|1,0,0]=3 1912 B10R1.21 C=CCNCc1cncs1 2230a_100016987365_100000210623 [0,2,0,0,0,0|2,0,0]=4 1913 B10R1.21 C=CCNCc1cncs1 2230a_100020586998_100015185245 [0,2,0,0,0,0|2,0,0]=4 1914 B10R1.21 C=CCNCc1cncs1 270004a_100020586998_100000749870 [0,2,0,0,0,0|2,0,0]=4 1915 B10R1.21 C=CCNCc1nccs1 2230a_100000740555_100000210623 [0,2,0,0,0,0|2,0,0]=4 1916 B10R1.21 C=CCNCc1nccs1 2230a_100020586998_100015184050 [0,2,0,0,0,0|2,0,0]=4 1917 B10R1.21 C=CCNCc1nccs1 270004a_100020586998_100000750902 [0,2,0,0,0,0|2,0,0]=4 1918 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,2,0,0,0,0|1,1,0]=4 1919 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,2,0,0,0,0|1,0,0]=3 1920 B10R1.21 C=CCOCc1cncs1 34a_200000210373_100015185245 [0,2,0,0,0,0|2,0,0]=4 1921 B10R1.21 C=CCOCc1nccs1 34a_200000210373_100015184050 [0,2,0,0,0,0|2,0,0]=4 1922 B10R1.21 C=CCSCc1cncs1 62a_100000210623_100015185245 [0,2,0,0,0,0|2,0,0]=4 1923 B10R1.21 C=CCSCc1cncs1 62a_100015185245_100000210623 [0,2,0,0,0,0|2,0,0]=4 1924 B10R1.21 C=CCSCc1nccs1 62a_100000210623_100015184050 [0,2,0,0,0,0|2,0,0]=4 1925 B10R1.21 C=CCSCc1nccs1 62a_100015184050_100000210623 [0,2,0,0,0,0|2,0,0]=4 1926 B10R1.21 CC#CCSc1cccs1 62a_100000748600_100011215356 [0,2,0,0,0,0|1,0,1]=4 1927 B10R1.21 CC#CCSc1cccs1 62a_100011215356_100000748600 [0,2,0,0,0,0|1,0,1]=4 1928 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,2,0,0,0,0|1,0,1]=4 1929 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,2,0,0,0,0|1,0,1]=4 1930 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,2,0,0,0,0|1,1,0]=4 1931 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [0,2,0,0,0,0|1,0,0]=3 1932 B10R1.21 CCCC=Cc1cncs1 271570a_100016258520_100011934649 [0,2,0,0,0,0|2,0,0]=4 1933 B10R1.21 CCCC=Cc1nccs1 271570a_100016258520_100000211983 [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,2,0,0,0,0|1,1,0]=4 1935 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,2,0,0,0,0|1,1,0]=4 1936 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,2,0,0,0,0|1,0,0]=3 1937 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,2,0,0,0,0|1,0,0]=3 1938 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [0,2,0,0,0,0|2,0,0]=4 1939 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [0,2,0,0,0,0|2,0,0]=4 1940 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [0,2,0,0,0,0|2,0,0]=4 1941 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [0,2,0,0,0,0|2,0,0]=4 1942 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,2,0,0,0,0|1,1,0]=4 1943 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,2,0,0,0,0|1,1,0]=4 1944 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,2,0,0,0,0|1,1,0]=4 1945 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,2,0,0,0,0|1,1,0]=4 1946 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,2,0,0,0,0|1,0,0]=3 1947 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,2,0,0,0,0|1,0,0]=3 1948 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,2,0,0,0,0|1,0,0]=3 1949 B10R1.21 CCCNCc1cncs1 207a_100020643023_100000749870 [0,2,0,0,0,0|2,0,0]=4 1950 B10R1.21 CCCNCc1cncs1 2230a_100016987365_100000210303 [0,2,0,0,0,0|2,0,0]=4 1951 B10R1.21 CCCNCc1cncs1 270004a_100020643023_100000749870 [0,2,0,0,0,0|2,0,0]=4 1952 B10R1.21 CCCNCc1nccs1 207a_100020643023_100000750902 [0,2,0,0,0,0|2,0,0]=4 1953 B10R1.21 CCCNCc1nccs1 2230a_100000740555_100000210303 [0,2,0,0,0,0|2,0,0]=4 1954 B10R1.21 CCCNCc1nccs1 270004a_100020643023_100000750902 [0,2,0,0,0,0|2,0,0]=4 1955 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,2,0,0,0,0|1,1,0]=4 1956 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,2,0,0,0,0|1,0,0]=3 1957 B10R1.21 CCCOCc1cncs1 34a_100000210258_100015185245 [0,2,0,0,0,0|2,0,0]=4 1958 B10R1.21 CCCOCc1nccs1 34a_100000210258_100015184050 [0,2,0,0,0,0|2,0,0]=4 1959 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,2,0,0,0,0|2,0,0]=4 1960 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,2,0,0,0,0|2,0,0]=4 1961 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,2,0,0,0,0|2,0,0]=4 1962 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,2,0,0,0,0|2,0,0]=4 1963 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,2,0,0,0,0|2,0,0]=4 1964 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,2,0,0,0,0|0,1,0]=3 1965 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,2,0,0,0,0|0,1,0]=3 1966 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,2,0,0,0,0|0,0,0]=2 1967 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,2,0,0,0,0|0,0,0]=2 1968 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,2,0,0,0,0|0,0,0]=2 1969 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,2,0,0,0,0|1,0,0]=3 1972 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [0,2,0,0,0,0|1,0,0]=3 1973 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,2,0,0,0,0|2,0,0]=4 1974 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.21 CCNCCn1cccn1 2230a_100011200920_100000210202 [0,2,0,0,0,0|2,0,0]=4 1976 B10R1.21 CCNCCn1cccn1 2230a_100015525214_100000685285 [0,2,0,0,0,0|2,0,0]=4 1977 B10R1.21 CCNN=Cc1cccs1 4a_100000756455_100000209959 [0,2,0,0,0,0|1,0,1]=4 1978 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [0,2,0,0,0,0|1,0,1]=4 1979 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,2,0,0,0,0|1,0,0]=3 1980 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,2,0,0,0,0|1,0,0]=3 1981 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,2,0,0,0,0|1,0,0]=3 1982 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [0,2,0,0,0,0|1,1,0]=4 1983 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [0,2,0,0,0,0|1,1,0]=4 1984 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [0,2,0,0,0,0|1,0,0]=3 1985 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [0,2,0,0,0,0|1,0,0]=3 1986 B10R1.21 CCOCSc1cncs1 62a_100000739092_100011934649 [0,2,0,0,0,0|2,0,0]=4 1987 B10R1.21 CCOCSc1cncs1 62a_100011934649_100000739092 [0,2,0,0,0,0|2,0,0]=4 1988 B10R1.21 CCOCSc1nccs1 62a_100000211983_100000739092 [0,2,0,0,0,0|2,0,0]=4 1989 B10R1.21 CCOCSc1nccs1 62a_100000739092_100000211983 [0,2,0,0,0,0|2,0,0]=4 1990 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,2,0,0,0,0|1,0,0]=3 1991 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,2,0,0,0,0|1,0,0]=3 1992 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [0,2,0,0,0,0|0,1,1]=4 1993 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,2,0,0,0,0|0,0,0]=2 1994 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,2,0,0,0,0|0,0,0]=2 1995 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,2,0,0,0,0|0,0,0]=2 1996 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,2,0,0,0,0|2,0,0]=4 1997 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,2,0,0,0,0|2,0,0]=4 1998 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,2,0,0,0,0|2,0,0]=4 1999 B10R1.21 CNCCCn1cccn1 2230a_106832991635_100000739983 [0,2,0,0,0,0|2,0,0]=4 2000 B10R1.21 CNCCCn1cccn1 7a_106832991635_100000739983 [0,2,0,0,0,0|2,0,0]=4 2001 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [0,2,0,0,0,0|1,0,1]=4 2002 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,2,0,0,0,0|1,0,0]=3 2003 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,2,0,0,0,0|1,0,0]=3 2004 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,2,0,0,0,0|1,0,0]=3 2005 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,2,0,0,0,0|1,1,0]=4 2006 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,2,0,0,0,0|1,1,0]=4 2007 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,2,0,0,0,0|1,0,0]=3 2008 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,2,0,0,0,0|1,0,0]=3 2009 B10R1.21 COCCSc1cncs1 62a_100000233755_100011934649 [0,2,0,0,0,0|2,0,0]=4 2010 B10R1.21 COCCSc1cncs1 62a_100011934649_100000233755 [0,2,0,0,0,0|2,0,0]=4 2011 B10R1.21 COCCSc1nccs1 62a_100000211983_100000233755 [0,2,0,0,0,0|2,0,0]=4 2012 B10R1.21 COCCSc1nccs1 62a_100000233755_100000211983 [0,2,0,0,0,0|2,0,0]=4 2013 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,2,0,0,0,0|1,1,0]=4 2014 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,2,0,0,0,0|1,0,0]=3 2015 B10R1.21 COCNCc1cncs1 2230a_100016987365_100000766300 [0,2,0,0,0,0|2,0,0]=4 2016 B10R1.21 COCNCc1nccs1 2230a_100000740555_100000766300 [0,2,0,0,0,0|2,0,0]=4 2017 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [0,2,0,0,0,0|2,0,0]=4 2018 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [0,2,0,0,0,0|2,0,0]=4 2019 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [0,2,0,0,0,0|2,0,0]=4 2020 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [0,2,0,0,0,0|2,0,0]=4 2021 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,2,0,0,0,0|1,0,0]=3 2022 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,2,0,0,0,0|1,0,0]=3 2023 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,2,0,0,0,0|1,1,0]=4 2024 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,2,0,0,0,0|1,1,0]=4 2025 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [0,2,0,0,0,0|1,0,0]=3 2026 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [0,2,0,0,0,0|1,0,0]=3 2027 B10R1.21 CSCCSc1cncs1 62a_100000212216_100011934649 [0,2,0,0,0,0|2,0,0]=4 2028 B10R1.21 CSCCSc1cncs1 62a_100011934649_100000751147 [0,2,0,0,0,0|2,0,0]=4 2029 B10R1.21 CSCCSc1nccs1 62a_100000211983_100000751147 [0,2,0,0,0,0|2,0,0]=4 2030 B10R1.21 CSCCSc1nccs1 62a_100000212216_100000211983 [0,2,0,0,0,0|2,0,0]=4 2031 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,2,0,0,0,0|1,1,0]=4 2032 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,2,0,0,0,0|1,1,0]=4 2033 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [0,2,0,0,0,0|1,0,0]=3 2034 B10R1.21 CSCNCc1cncs1 2230a_100016987365_100011218213 [0,2,0,0,0,0|2,0,0]=4 2035 B10R1.21 CSCNCc1nccs1 2230a_100000740555_100011218213 [0,2,0,0,0,0|2,0,0]=4 2036 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,2,0,0,0,0|1,1,0]=4 2037 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [0,2,0,0,0,0|1,0,0]=3 2038 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [0,2,0,0,0,0|2,0,0]=4 2039 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [0,2,0,0,0,0|2,0,0]=4 2040 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [0,2,0,0,0,0|2,0,0]=4 2041 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [0,2,0,0,0,0|2,0,0]=4 2042 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,2,0,0,0,0|1,1,0]=4 2043 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,2,0,0,0,0|1,1,0]=4 2044 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,2,0,0,0,0|1,0,0]=3 2045 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,2,0,0,0,0|1,0,0]=3 2046 B10R1.21 FCCCSc1cncs1 62a_100011934649_100011934791 [0,2,0,0,0,0|2,0,0]=4 2047 B10R1.21 FCCCSc1cncs1 62a_100011934791_100011934649 [0,2,0,0,0,0|2,0,0]=4 2048 B10R1.21 FCCCSc1nccs1 62a_100000211983_100011934791 [0,2,0,0,0,0|2,0,0]=4 2049 B10R1.21 FCCCSc1nccs1 62a_100011934791_100000211983 [0,2,0,0,0,0|2,0,0]=4 2050 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,2,0,0,0,0|1,1,0]=4 2051 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,2,0,0,0,0|1,1,0]=4 2052 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,2,0,0,0,0|1,0,0]=3 2053 B10R1.21 FCCNCc1cncs1 2230a_100016987365_100011217306 [0,2,0,0,0,0|2,0,0]=4 2054 B10R1.21 FCCNCc1cncs1 34a_100000724931_100015185245 [0,2,0,0,0,0|2,0,0]=4 2055 B10R1.21 FCCNCc1nccs1 2230a_100000740555_100011217306 [0,2,0,0,0,0|2,0,0]=4 2056 B10R1.21 FCCNCc1nccs1 34a_100000724931_100015184050 [0,2,0,0,0,0|2,0,0]=4 2057 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,2,0,0,0,0|1,1,0]=4 2058 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,2,0,0,0,0|1,0,0]=3 2059 B10R1.21 FCCSCc1cncs1 62a_100011217306_100015185245 [0,2,0,0,0,0|2,0,0]=4 2060 B10R1.21 FCCSCc1cncs1 62a_100015185245_100011217306 [0,2,0,0,0,0|2,0,0]=4 2061 B10R1.21 FCCSCc1nccs1 62a_100011217306_100015184050 [0,2,0,0,0,0|2,0,0]=4 2062 B10R1.21 FCCSCc1nccs1 62a_100015184050_100011217306 [0,2,0,0,0,0|2,0,0]=4 2063 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,2,0,0,0,0|0,1,0]=3 2064 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,2,0,0,0,0|0,0,0]=2 2065 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,2,0,0,0,0|2,0,0]=4 2066 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,2,0,0,0,0|2,0,0]=4 2067 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,2,0,0,0,0|1,0,0]=3 2068 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,2,0,0,0,0|1,0,0]=3 2069 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,2,0,0,0,0|1,0,0]=3 2070 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,2,0,0,0,0|1,0,0]=3 2071 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [0,2,0,0,0,0|0,1,1]=4 2072 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [0,2,0,0,0,0|0,1,1]=4 2073 B10R1.21 N#CCCSc1cccs1 62a_100011215226_100011215356 [0,2,0,0,0,0|0,0,1]=3 2074 B10R1.21 N#CCCSc1cccs1 62a_100011215356_100011215226 [0,2,0,0,0,0|0,0,1]=3 2075 B10R1.21 N#CCCSc1cncs1 62a_100011215226_100011934649 [0,2,0,0,0,0|1,0,1]=4 2076 B10R1.21 N#CCCSc1cncs1 62a_100011934649_100011215226 [0,2,0,0,0,0|1,0,1]=4 2077 B10R1.21 N#CCCSc1nccs1 62a_100000211983_100011215226 [0,2,0,0,0,0|1,0,1]=4 2078 B10R1.21 N#CCCSc1nccs1 62a_100011215226_100000211983 [0,2,0,0,0,0|1,0,1]=4 2079 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [0,2,0,0,0,0|0,1,1]=4 2080 B10R1.21 N#CCNCc1cccs1 2230a_100000211653_100011215382 [0,2,0,0,0,0|0,0,1]=3 2081 B10R1.21 N#CCNCc1cncs1 2230a_100016987365_100011215382 [0,2,0,0,0,0|1,0,1]=4 2082 B10R1.21 N#CCNCc1nccs1 2230a_100000740555_100011215382 [0,2,0,0,0,0|1,0,1]=4 2083 B10R1.21 N#CCSCc1cncs1 62a_100011215382_100015185245 [0,2,0,0,0,0|1,0,1]=4 2084 B10R1.21 N#CCSCc1cncs1 62a_100015185245_100011215382 [0,2,0,0,0,0|1,0,1]=4 2085 B10R1.21 N#CCSCc1nccs1 62a_100011215382_100015184050 [0,2,0,0,0,0|1,0,1]=4 2086 B10R1.21 N#CCSCc1nccs1 62a_100015184050_100011215382 [0,2,0,0,0,0|1,0,1]=4 2087 B10R1.21 N#CSCSc1cccs1 62a_100000211825_100011215356 [0,2,0,0,0,0|0,0,2]=4 2088 B10R1.21 N#CSCSc1cccs1 62a_100011215356_100000211825 [0,2,0,0,0,0|0,0,2]=4 2089 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [0,2,0,0,0,0|2,0,0]=4 2090 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [0,2,0,0,0,0|2,0,0]=4 2091 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [0,2,0,0,0,0|2,0,0]=4 2092 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,2,0,0,0,0|2,0,0]=4 2093 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [0,2,0,0,0,0|1,0,0]=3 2094 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [0,2,0,0,0,0|2,0,0]=4 2095 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,2,0,0,0,0|2,0,0]=4 2096 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [0,2,0,0,0,0|1,1,0]=4 2097 B10R1.21 NCCOCc1nccs1 34a_100000210304_100015184050 [0,2,0,0,0,0|1,0,0]=3 2098 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,2,0,0,0,0|1,1,0]=4 2099 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,2,0,0,0,0|1,1,0]=4 2100 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,2,0,0,0,0|1,0,0]=3 2101 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.21 O=CCNCc1nccs1 2230a_100000740555_200015260668 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,2,0,0,0,0|1,1,0]=4 2104 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,2,0,0,0,0|1,0,0]=3 2105 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [0,2,0,0,0,0|2,0,0]=4 2106 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [0,2,0,0,0,0|2,0,0]=4 2107 B10R1.21 O=CCSCc1nccs1 62a_100015184050_200015260668 [0,2,0,0,0,0|2,0,0]=4 2108 B10R1.21 O=CCSCc1nccs1 62a_200015260668_100015184050 [0,2,0,0,0,0|2,0,0]=4 2109 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,2,0,0,0,0|1,1,0]=4 2110 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,2,0,0,0,0|1,1,0]=4 2111 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,2,0,0,0,0|1,0,0]=3 2112 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,2,0,0,0,0|1,0,0]=3 2113 B10R1.21 OCCCSc1cncs1 62a_100011215043_100011934649 [0,2,0,0,0,0|2,0,0]=4 2114 B10R1.21 OCCCSc1cncs1 62a_100011934649_100011215043 [0,2,0,0,0,0|2,0,0]=4 2115 B10R1.21 OCCCSc1nccs1 62a_100000211983_100011215043 [0,2,0,0,0,0|2,0,0]=4 2116 B10R1.21 OCCCSc1nccs1 62a_100011215043_100000211983 [0,2,0,0,0,0|2,0,0]=4 2117 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,2,0,0,0,0|1,1,0]=4 2118 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,2,0,0,0,0|1,1,0]=4 2119 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,2,0,0,0,0|1,1,0]=4 2120 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,2,0,0,0,0|1,1,0]=4 2121 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,2,0,0,0,0|1,0,0]=3 2122 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,2,0,0,0,0|1,0,0]=3 2123 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,2,0,0,0,0|1,0,0]=3 2124 B10R1.21 OCCNCc1cncs1 207a_100000210304_100000749870 [0,2,0,0,0,0|2,0,0]=4 2125 B10R1.21 OCCNCc1cncs1 2230a_100016987365_100000211926 [0,2,0,0,0,0|2,0,0]=4 2126 B10R1.21 OCCNCc1cncs1 2230a_100016997473_100015185245 [0,2,0,0,0,0|2,0,0]=4 2127 B10R1.21 OCCNCc1cncs1 270004a_100000210304_100000749870 [0,2,0,0,0,0|2,0,0]=4 2128 B10R1.21 OCCNCc1cncs1 34a_100016990907_100015185245 [0,2,0,0,0,0|2,0,0]=4 2129 B10R1.21 OCCNCc1nccs1 207a_100000210304_100000750902 [0,2,0,0,0,0|2,0,0]=4 2130 B10R1.21 OCCNCc1nccs1 2230a_100000740555_100000211926 [0,2,0,0,0,0|2,0,0]=4 2131 B10R1.21 OCCNCc1nccs1 2230a_100016997473_100015184050 [0,2,0,0,0,0|2,0,0]=4 2132 B10R1.21 OCCNCc1nccs1 270004a_100000210304_100000750902 [0,2,0,0,0,0|2,0,0]=4 2133 B10R1.21 OCCNCc1nccs1 34a_100016990907_100015184050 [0,2,0,0,0,0|2,0,0]=4 2134 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,2,0,0,0,0|1,1,0]=4 2135 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,2,0,0,0,0|1,0,0]=3 2136 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [0,2,0,0,0,0|2,0,0]=4 2137 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [0,2,0,0,0,0|2,0,0]=4 2138 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [0,2,0,0,0,0|2,0,0]=4 2139 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [0,2,0,0,0,0|2,0,0]=4 2140 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,2,0,0,0,0|1,0,0]=3 2141 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,2,0,0,0,0|1,0,0]=3 2142 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,2,0,0,0,0|1,0,0]=3 2143 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,2,0,0,0,0|1,0,0]=3 2144 B10R1.27 C#CC(C)Sc1cccs1 62a_200000035995_100011215356 [0,2,0,0,0,0|1,0,1]=4 2145 B10R1.27 C=CC(C)Sc1cccs1 62a_100011215867_100011215356 [0,2,0,0,0,0|1,0,1]=4 2146 B10R1.27 CC(C#N)Sc1cccs1 62a_100000703298_100011215356 [0,2,0,0,0,0|0,0,2]=4 2147 B10R1.27 CC(C#N)Sc1cccs1 62a_100011215356_100000703298 [0,2,0,0,0,0|0,0,2]=4 2148 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,2,0,0,0,0|1,1,0]=4 2149 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [0,2,0,0,0,0|1,0,0]=3 2150 B10R1.27 CC(CO)Sc1cncs1 62a_100012180447_100011934649 [0,2,0,0,0,0|2,0,0]=4 2151 B10R1.27 CC(CO)Sc1nccs1 62a_100012180447_100000211983 [0,2,0,0,0,0|2,0,0]=4 2152 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,2,0,0,0,0|1,1,0]=4 2153 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,2,0,0,0,0|1,1,0]=4 2154 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,2,0,0,0,0|0,0,0]=2 2155 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,2,0,0,0,0|2,0,0]=4 2156 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,2,0,0,0,0|2,0,0]=4 2157 B10R1.27 CC(Cn1cccn1)N[13CH3] 2230a_100000738251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2158 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,2,0,0,0,0|2,0,0]=4 2159 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,2,0,0,0,0|1,1,0]=4 2160 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,2,0,0,0,0|1,0,0]=3 2161 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,2,0,0,0,0|2,0,0]=4 2162 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,2,0,0,0,0|2,0,0]=4 2163 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,2,0,0,0,0|1,1,0]=4 2164 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,2,0,0,0,0|1,1,0]=4 2165 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,2,0,0,0,0|1,0,0]=3 2166 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,2,0,0,0,0|1,0,0]=3 2167 B10R1.27 CCC(C)Sc1cncs1 62a_100000758301_100011934649 [0,2,0,0,0,0|2,0,0]=4 2168 B10R1.27 CCC(C)Sc1cncs1 62a_100011934649_100000758301 [0,2,0,0,0,0|2,0,0]=4 2169 B10R1.27 CCC(C)Sc1nccs1 62a_100000211983_100000758301 [0,2,0,0,0,0|2,0,0]=4 2170 B10R1.27 CCC(C)Sc1nccs1 62a_100000758301_100000211983 [0,2,0,0,0,0|2,0,0]=4 2171 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,2,0,0,0,0|1,1,0]=4 2172 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,2,0,0,0,0|1,1,0]=4 2173 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,2,0,0,0,0|1,1,0]=4 2174 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,2,0,0,0,0|1,1,0]=4 2175 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,2,0,0,0,0|1,0,0]=3 2176 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,2,0,0,0,0|1,0,0]=3 2177 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,2,0,0,0,0|1,0,0]=3 2178 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,2,0,0,0,0|1,0,0]=3 2179 B10R1.27 CCN(C)Cc1cncs1 2230a_100000225621_100015185245 [0,2,0,0,0,0|2,0,0]=4 2180 B10R1.27 CCN(C)Cc1cncs1 269982a_100000225621_100015185245 [0,2,0,0,0,0|2,0,0]=4 2181 B10R1.27 CCN(C)Cc1nccs1 2230a_100000225621_100015184050 [0,2,0,0,0,0|2,0,0]=4 2182 B10R1.27 CCN(C)Cc1nccs1 2230a_100000765864_100000210202 [0,2,0,0,0,0|2,0,0]=4 2183 B10R1.27 CCN(C)Cc1nccs1 269982a_100000225621_100015184050 [0,2,0,0,0,0|2,0,0]=4 2184 B10R1.27 CCN(C)Cc1nccs1 269982a_100000765864_100000204670 [0,2,0,0,0,0|2,0,0]=4 2185 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,2,0,0,0,0|1,1,0]=4 2186 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,2,0,0,0,0|1,1,0]=4 2187 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,2,0,0,0,0|1,0,0]=3 2188 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,2,0,0,0,0|1,0,0]=3 2189 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [0,2,0,0,0,0|1,1,0]=4 2190 B10R1.27 CN(CF)Cc1cccs1 269982a_100000184426_100015361967 [0,2,0,0,0,0|1,0,0]=3 2191 B10R1.27 CN(CF)Cc1nccs1 269982a_100000765864_100015361967 [0,2,0,0,0,0|2,0,0]=4 2192 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,2,0,0,0,0|1,0,1]=4 2193 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,2,0,0,0,0|1,0,1]=4 2194 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,2,0,0,0,0|1,0,1]=4 2195 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,2,0,0,0,0|0,1,1]=4 2196 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,2,0,0,0,0|0,1,1]=4 2197 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,2,0,0,0,0|0,0,1]=3 2198 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,2,0,0,0,0|0,0,1]=3 2199 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,2,0,0,0,0|0,0,1]=3 2200 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,2,0,0,0,0|0,1,0]=3 2201 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,2,0,0,0,0|0,0,0]=2 2202 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,2,0,0,0,0|2,0,0]=4 2203 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,2,0,0,0,0|2,0,0]=4 2204 B10R1.27 CNC(C)Cn1cccn1 2230a_100000738251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2205 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,2,0,0,0,0|1,1,0]=4 2206 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,2,0,0,0,0|1,1,0]=4 2207 B10R1.27 COC(C)Sc1cccs1 62a_100009879195_100011215356 [0,2,0,0,0,0|2,0,0]=4 2208 B10R1.27 COC(C)Sc1cccs1 62a_100011215356_100009879195 [0,2,0,0,0,0|2,0,0]=4 2209 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,2,0,0,0,0|1,1,0]=4 2210 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,2,0,0,0,0|1,1,0]=4 2211 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [0,2,0,0,0,0|1,0,0]=3 2212 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [0,2,0,0,0,0|1,0,0]=3 2213 B10R1.27 C[C@H](CO)Sc1cncs1 62a_100011934649_100016084084 [0,2,0,0,0,0|2,0,0]=4 2214 B10R1.27 C[C@H](CO)Sc1cncs1 62a_100016084084_100011934649 [0,2,0,0,0,0|2,0,0]=4 2215 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100000211983_100016084084 [0,2,0,0,0,0|2,0,0]=4 2216 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100016084084_100000211983 [0,2,0,0,0,0|2,0,0]=4 2217 B10R1.27 N#CC(F)Sc1cccs1 62a_100011215356_200000117898 [0,2,0,0,0,0|0,0,2]=4 2218 B10R1.27 N#CC(F)Sc1cccs1 62a_200000117898_100011215356 [0,2,0,0,0,0|0,0,2]=4 2219 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,2,0,0,0,0|2,0,0]=4 2220 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,2,0,0,0,0|1,1,0]=4 2221 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,2,0,0,0,0|1,0,0]=3 2222 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,2,0,0,0,0|2,0,0]=4 2223 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,2,0,0,0,0|2,0,0]=4 2224 B10R1.29 C#CCSc1sccc1Br 62a_100000038162_100012361411 [0,2,0,0,0,0|1,0,1]=4 2225 B10R1.29 C#CCSc1sccc1C 62a_100000038162_100010247149 [0,2,0,0,0,0|1,0,1]=4 2226 B10R1.29 C=CCSc1sccc1Br 62a_100000210623_100012361411 [0,2,0,0,0,0|1,0,1]=4 2227 B10R1.29 C=CCSc1sccc1Br 62a_100012361411_100000210623 [0,2,0,0,0,0|1,0,1]=4 2228 B10R1.29 C=CCSc1sccc1C 62a_100000210623_100010247149 [0,2,0,0,0,0|1,0,1]=4 2229 B10R1.29 C=CCSc1sccc1C 62a_100010247149_100000210623 [0,2,0,0,0,0|1,0,1]=4 2230 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,2,0,0,0,0|1,0,0]=3 2231 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,2,0,0,0,0|1,0,0]=3 2232 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [0,2,0,0,0,0|2,0,0]=4 2233 B10R1.29 CCCSc1sccc1Br 62a_100000210303_100012361411 [0,2,0,0,0,0|1,0,0]=3 2234 B10R1.29 CCCSc1sccc1Br 62a_100012361411_100000210303 [0,2,0,0,0,0|1,0,0]=3 2235 B10R1.29 CCCSc1sccc1C 62a_100000210303_100010247149 [0,2,0,0,0,0|1,0,0]=3 2236 B10R1.29 CCCSc1sccc1C 62a_100010247149_100000210303 [0,2,0,0,0,0|1,0,0]=3 2237 B10R1.29 CCCSc1scnc1C 62a_100000210303_100009817116 [0,2,0,0,0,0|2,0,0]=4 2238 B10R1.29 CCCSc1scnc1C 62a_100009817116_100000210303 [0,2,0,0,0,0|2,0,0]=4 2239 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [0,2,0,0,0,0|2,0,0]=4 2240 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [0,2,0,0,0,0|2,0,0]=4 2241 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [0,2,0,0,0,0|1,1,0]=4 2242 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [0,2,0,0,0,0|1,1,0]=4 2243 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [0,2,0,0,0,0|1,1,0]=4 2244 B10R1.29 CCNCc1sccc1Br 207a_100015525214_100000766043 [0,2,0,0,0,0|1,0,0]=3 2245 B10R1.29 CCNCc1sccc1Br 270004a_100015525214_100000766043 [0,2,0,0,0,0|1,0,0]=3 2246 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [0,2,0,0,0,0|1,0,0]=3 2247 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [0,2,0,0,0,0|1,0,0]=3 2248 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [0,2,0,0,0,0|1,0,0]=3 2249 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [0,2,0,0,0,0|1,0,0]=3 2250 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [0,2,0,0,0,0|1,0,0]=3 2251 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [0,2,0,0,0,0|1,0,0]=3 2252 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [0,2,0,0,0,0|1,0,0]=3 2253 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [0,2,0,0,0,0|1,0,0]=3 2254 B10R1.29 CCNCc1scnc1C 207a_100015525214_100000764165 [0,2,0,0,0,0|2,0,0]=4 2255 B10R1.29 CCNCc1scnc1C 2230a_100000752186_100000210202 [0,2,0,0,0,0|2,0,0]=4 2256 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [0,2,0,0,0,0|1,1,0]=4 2257 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [0,2,0,0,0,0|1,1,0]=4 2258 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [0,2,0,0,0,0|1,0,0]=3 2259 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [0,2,0,0,0,0|1,0,0]=3 2260 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [0,2,0,0,0,0|1,0,0]=3 2261 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [0,2,0,0,0,0|1,0,0]=3 2262 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [0,2,0,0,0,0|1,0,0]=3 2263 B10R1.29 CCOCc1scnc1Br 7a_100012000948_100000210202 [0,2,0,0,0,0|2,0,0]=4 2264 B10R1.29 CCOCc1scnc1C 34a_100000750112_100000210202 [0,2,0,0,0,0|2,0,0]=4 2265 B10R1.29 CCOCc1scnc1C 7a_100000750112_100000210202 [0,2,0,0,0,0|2,0,0]=4 2266 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,2,0,0,0,0|1,0,0]=3 2267 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,2,0,0,0,0|1,0,0]=3 2268 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [0,2,0,0,0,0|1,0,0]=3 2269 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [0,2,0,0,0,0|1,0,0]=3 2270 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [0,2,0,0,0,0|1,0,0]=3 2271 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [0,2,0,0,0,0|1,0,0]=3 2272 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [0,2,0,0,0,0|1,0,0]=3 2273 B10R1.29 CNCCn1nccc1C 2230a_106832991635_100011934269 [0,2,0,0,0,0|2,0,0]=4 2274 B10R1.29 CNCCn1nccc1C 7a_106832991635_100011934269 [0,2,0,0,0,0|2,0,0]=4 2275 B10R1.29 COCCc1scnc1C 34a_100000211055_200000210301 [0,2,0,0,0,0|2,0,0]=4 2276 B10R1.29 COCCc1scnc1C 34a_100138415774_100000057103 [0,2,0,0,0,0|2,0,0]=4 2277 B10R1.29 COCCc1scnc1C 7a_100000211055_200000210301 [0,2,0,0,0,0|2,0,0]=4 2278 B10R1.29 COCSc1sccc1Br 62a_100000766300_100012361411 [0,2,0,0,0,0|2,0,0]=4 2279 B10R1.29 COCSc1sccc1Br 62a_100012361411_100000766300 [0,2,0,0,0,0|2,0,0]=4 2280 B10R1.29 COCSc1sccc1C 62a_100000766300_100010247149 [0,2,0,0,0,0|2,0,0]=4 2281 B10R1.29 COCSc1sccc1C 62a_100010247149_100000766300 [0,2,0,0,0,0|2,0,0]=4 2282 B10R1.29 CSCCc1scnc1C 62a_100000057103_200000210301 [0,2,0,0,0,0|2,0,0]=4 2283 B10R1.29 CSCCc1scnc1C 62a_200000210301_100000057103 [0,2,0,0,0,0|2,0,0]=4 2284 B10R1.29 CSCSc1sccc1Br 62a_100011218213_100012361411 [0,2,0,0,0,0|2,0,0]=4 2285 B10R1.29 CSCSc1sccc1Br 62a_100012361411_100011218213 [0,2,0,0,0,0|2,0,0]=4 2286 B10R1.29 CSCSc1sccc1C 62a_100010247149_100011218213 [0,2,0,0,0,0|2,0,0]=4 2287 B10R1.29 CSCSc1sccc1C 62a_100011218213_100010247149 [0,2,0,0,0,0|2,0,0]=4 2288 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [0,2,0,0,0,0|1,1,0]=4 2289 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [0,2,0,0,0,0|1,1,0]=4 2290 B10R1.29 Cc1ccsc1CNCF 34a_100000238519_100015361967 [0,2,0,0,0,0|1,0,0]=3 2291 B10R1.29 Cc1ccsc1COCF 34a_100000238368_100015361967 [0,2,0,0,0,0|1,0,0]=3 2292 B10R1.29 Cc1ccsc1COCF 7a_100000238368_100015361967 [0,2,0,0,0,0|1,0,0]=3 2293 B10R1.29 Cc1ccsc1SCC#N 62a_100010247149_100011215382 [0,2,0,0,0,0|0,0,2]=4 2294 B10R1.29 Cc1ccsc1SCC#N 62a_100011215382_100010247149 [0,2,0,0,0,0|0,0,2]=4 2295 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [0,2,0,0,0,0|1,0,1]=4 2296 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [0,2,0,0,0,0|1,0,1]=4 2297 B10R1.29 Cc1ccsc1SCCF 62a_100010247149_100011217306 [0,2,0,0,0,0|1,0,0]=3 2298 B10R1.29 Cc1ccsc1SCCF 62a_100011217306_100010247149 [0,2,0,0,0,0|1,0,0]=3 2299 B10R1.29 Cc1ccsc1SCCO 62a_100000211926_100010247149 [0,2,0,0,0,0|1,0,0]=3 2300 B10R1.29 Cc1ccsc1SCCO 62a_100010247149_100000211926 [0,2,0,0,0,0|1,0,0]=3 2301 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [0,2,0,0,0,0|1,0,0]=3 2302 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [0,2,0,0,0,0|1,0,0]=3 2303 B10R1.29 Cc1ncsc1CCO[13CH3] 34a_100000211055_200025704644 [0,2,0,0,0,0|2,0,0]=4 2304 B10R1.29 Cc1ncsc1CCO[13CH3] 7a_100000211055_200025704644 [0,2,0,0,0,0|2,0,0]=4 2305 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_100000057103_200025704644 [0,2,0,0,0,0|2,0,0]=4 2306 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_200025704644_100000057103 [0,2,0,0,0,0|2,0,0]=4 2307 B10R1.29 Cc1ncsc1COCF 34a_100000750112_100015361967 [0,2,0,0,0,0|2,0,0]=4 2308 B10R1.29 Cc1ncsc1COCF 7a_100000750112_100015361967 [0,2,0,0,0,0|2,0,0]=4 2309 B10R1.29 Cc1ncsc1SCCF 62a_100009817116_100011217306 [0,2,0,0,0,0|2,0,0]=4 2310 B10R1.29 Cc1ncsc1SCCF 62a_100011217306_100009817116 [0,2,0,0,0,0|2,0,0]=4 2311 B10R1.29 Cc1ncsc1SCCO 62a_100000211926_100009817116 [0,2,0,0,0,0|2,0,0]=4 2312 B10R1.29 Cc1ncsc1SCCO 62a_100009817116_100000211926 [0,2,0,0,0,0|2,0,0]=4 2313 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,2,0,0,0,0|1,0,0]=3 2314 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,2,0,0,0,0|1,0,0]=3 2315 B10R1.29 Cn1cccc1CNCF 34a_100011219357_100015361967 [0,2,0,0,0,0|2,0,0]=4 2316 B10R1.29 FCCSc1sccc1Br 62a_100011217306_100012361411 [0,2,0,0,0,0|1,0,0]=3 2317 B10R1.29 FCCSc1sccc1Br 62a_100012361411_100011217306 [0,2,0,0,0,0|1,0,0]=3 2318 B10R1.29 FCNCc1sccc1Cl 34a_100011934584_100015361967 [0,2,0,0,0,0|1,0,0]=3 2319 B10R1.29 FCOCc1sccc1Br 34a_100000702026_100015361967 [0,2,0,0,0,0|1,0,0]=3 2320 B10R1.29 FCOCc1sccc1Cl 34a_100000722387_100015361967 [0,2,0,0,0,0|1,0,0]=3 2321 B10R1.29 FCOCc1sccc1Cl 7a_100000722387_100015361967 [0,2,0,0,0,0|1,0,0]=3 2322 B10R1.29 FCOCc1scnc1Br 7a_100012000948_100015361967 [0,2,0,0,0,0|2,0,0]=4 2323 B10R1.29 N#CCSc1sccc1Br 62a_100011215382_100012361411 [0,2,0,0,0,0|0,0,2]=4 2324 B10R1.29 N#CCSc1sccc1Br 62a_100012361411_100011215382 [0,2,0,0,0,0|0,0,2]=4 2325 B10R1.29 O=CCSc1sccc1Br 62a_100012361411_200015260668 [0,2,0,0,0,0|1,0,1]=4 2326 B10R1.29 O=CCSc1sccc1Br 62a_200015260668_100012361411 [0,2,0,0,0,0|1,0,1]=4 2327 B10R1.29 OCCSc1sccc1Br 62a_100000211926_100012361411 [0,2,0,0,0,0|1,0,0]=3 2328 B10R1.29 OCCSc1sccc1Br 62a_100012361411_100000211926 [0,2,0,0,0,0|1,0,0]=3 2329 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,2,0,0,0,0|1,0,1]=4 2330 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,2,0,0,0,0|1,0,1]=4 2331 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,2,0,0,0,0|1,0,1]=4 2332 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,2,0,0,0,0|1,0,1]=4 2333 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,2,0,0,0,0|2,0,0]=4 2334 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,2,0,0,0,0|1,1,0]=4 2335 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,2,0,0,0,0|1,0,0]=3 2336 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,2,0,0,0,0|1,0,0]=3 2337 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,2,0,0,0,0|2,0,0]=4 2338 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,2,0,0,0,0|2,0,0]=4 2339 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,2,0,0,0,0|1,0,1]=4 2340 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,2,0,0,0,0|1,0,1]=4 2341 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,2,0,0,0,0|1,0,1]=4 2342 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,2,0,0,0,0|1,0,1]=4 2343 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,2,0,0,0,0|1,0,1]=4 2344 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,2,0,0,0,0|1,1,0]=4 2345 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,2,0,0,0,0|1,1,0]=4 2346 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,2,0,0,0,0|1,0,0]=3 2347 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,2,0,0,0,0|1,0,0]=3 2348 B10R1.66 CC(C)CSc1cncs1 62a_100000210624_100011934649 [0,2,0,0,0,0|2,0,0]=4 2349 B10R1.66 CC(C)CSc1cncs1 62a_100011934649_100000210760 [0,2,0,0,0,0|2,0,0]=4 2350 B10R1.66 CC(C)CSc1nccs1 62a_100000210624_100000211983 [0,2,0,0,0,0|2,0,0]=4 2351 B10R1.66 CC(C)CSc1nccs1 62a_100000211983_100000210760 [0,2,0,0,0,0|2,0,0]=4 2352 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,2,0,0,0,0|1,1,0]=4 2353 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,2,0,0,0,0|1,1,0]=4 2354 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,2,0,0,0,0|1,1,0]=4 2355 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,2,0,0,0,0|1,0,0]=3 2356 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,2,0,0,0,0|1,0,0]=3 2357 B10R1.66 CC(C)NCc1cncs1 207a_100138425928_100000749870 [0,2,0,0,0,0|2,0,0]=4 2358 B10R1.66 CC(C)NCc1cncs1 2230a_100016987365_100000210206 [0,2,0,0,0,0|2,0,0]=4 2359 B10R1.66 CC(C)NCc1cncs1 2230a_100138425928_100015185245 [0,2,0,0,0,0|2,0,0]=4 2360 B10R1.66 CC(C)NCc1cncs1 34a_100138425928_100015185245 [0,2,0,0,0,0|2,0,0]=4 2361 B10R1.66 CC(C)NCc1nccs1 207a_100138425928_100000750902 [0,2,0,0,0,0|2,0,0]=4 2362 B10R1.66 CC(C)NCc1nccs1 2230a_100000740555_100000210206 [0,2,0,0,0,0|2,0,0]=4 2363 B10R1.66 CC(C)NCc1nccs1 2230a_100138425928_100015184050 [0,2,0,0,0,0|2,0,0]=4 2364 B10R1.66 CC(C)NCc1nccs1 34a_100138425928_100015184050 [0,2,0,0,0,0|2,0,0]=4 2365 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,2,0,0,0,0|1,1,0]=4 2366 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,2,0,0,0,0|1,0,0]=3 2367 B10R1.66 CC(C)OCc1cncs1 34a_100000212225_100015185245 [0,2,0,0,0,0|2,0,0]=4 2368 B10R1.66 CC(C)OCc1nccs1 34a_100000212225_100015184050 [0,2,0,0,0,0|2,0,0]=4 2369 B10R1.66 CC(C)SCc1cncs1 62a_100000210206_100015185245 [0,2,0,0,0,0|2,0,0]=4 2370 B10R1.66 CC(C)SCc1cncs1 62a_100015185245_100000210206 [0,2,0,0,0,0|2,0,0]=4 2371 B10R1.66 CC(C)SCc1nccs1 62a_100000210206_100015184050 [0,2,0,0,0,0|2,0,0]=4 2372 B10R1.66 CC(C)SCc1nccs1 62a_100015184050_100000210206 [0,2,0,0,0,0|2,0,0]=4 2373 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,2,0,0,0,0|1,0,1]=4 2374 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,2,0,0,0,0|1,1,0]=4 2375 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,2,0,0,0,0|1,1,0]=4 2376 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,2,0,0,0,0|1,0,0]=3 2377 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,2,0,0,0,0|1,0,0]=3 2378 B10R1.66 CC(O)CSc1cncs1 62a_100011218427_100011934649 [0,2,0,0,0,0|2,0,0]=4 2379 B10R1.66 CC(O)CSc1cncs1 62a_100011934649_100011218427 [0,2,0,0,0,0|2,0,0]=4 2380 B10R1.66 CC(O)CSc1nccs1 62a_100000211983_100011218427 [0,2,0,0,0,0|2,0,0]=4 2381 B10R1.66 CC(O)CSc1nccs1 62a_100011218427_100000211983 [0,2,0,0,0,0|2,0,0]=4 2382 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,2,0,0,0,0|2,0,0]=4 2383 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,2,0,0,0,0|2,0,0]=4 2384 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,2,0,0,0,0|0,0,0]=2 2385 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,2,0,0,0,0|0,0,0]=2 2386 B10R1.66 CN(C)CCn1cccc1 2230a_100102631434_200009811947 [0,2,0,0,0,0|2,0,0]=4 2387 B10R1.66 CN(C)CCn1cccc1 269982a_100102631434_200000035178 [0,2,0,0,0,0|2,0,0]=4 2388 B10R1.66 CN(C)CCn1cccn1 2230a_100102631434_100000685285 [0,2,0,0,0,0|2,0,0]=4 2389 B10R1.66 CN(C)CCn1cccn1 269982a_100102631434_100000685285 [0,2,0,0,0,0|2,0,0]=4 2390 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,2,0,0,0,0|1,1,0]=4 2391 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,2,0,0,0,0|1,1,0]=4 2392 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,2,0,0,0,0|1,0,0]=3 2393 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,2,0,0,0,0|1,0,0]=3 2394 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100009817552_100011934649 [0,2,0,0,0,0|2,0,0]=4 2395 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100011934649_100009817552 [0,2,0,0,0,0|2,0,0]=4 2396 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100000211983_100009817552 [0,2,0,0,0,0|2,0,0]=4 2397 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100009817552_100000211983 [0,2,0,0,0,0|2,0,0]=4 2398 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,2,0,0,0,0|1,1,0]=4 2399 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,2,0,0,0,0|1,1,0]=4 2400 B10R1.66 FC(F)CSc1cccs1 62a_100011215356_100011934356 [0,2,0,0,0,0|1,0,0]=3 2401 B10R1.66 FC(F)CSc1cccs1 62a_100011934356_100011215356 [0,2,0,0,0,0|1,0,0]=3 2402 B10R1.66 FC(F)CSc1cncs1 62a_100011934356_100011934649 [0,2,0,0,0,0|2,0,0]=4 2403 B10R1.66 FC(F)CSc1cncs1 62a_100011934649_100011934356 [0,2,0,0,0,0|2,0,0]=4 2404 B10R1.66 FC(F)CSc1nccs1 62a_100000211983_100011934356 [0,2,0,0,0,0|2,0,0]=4 2405 B10R1.66 FC(F)CSc1nccs1 62a_100011934356_100000211983 [0,2,0,0,0,0|2,0,0]=4 2406 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,2,0,0,0,0|0,1,1]=4 2407 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,2,0,0,0,0|0,1,1]=4 2408 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,2,0,0,0,0|0,0,1]=3 2409 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,2,0,0,0,0|0,0,1]=3 2410 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [0,2,0,0,0,0|1,0,1]=4 2411 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [0,2,0,0,0,0|1,0,1]=4 2412 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [0,2,0,0,0,0|1,0,1]=4 2413 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [0,2,0,0,0,0|1,0,1]=4 2414 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,2,0,0,0,0|1,0,1]=4 2415 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,2,0,0,0,0|1,0,1]=4 2416 B10R1.66 O=[N+]([O-])CSc1cccs1 62a_100011215356_100000761209 [0,2,0,0,0,0|1,0,1]=4 2417 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,2,0,0,0,0|2,0,0]=4 2418 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,2,0,0,0,0|1,1,0]=4 2419 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,2,0,0,0,0|1,0,0]=3 2420 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,2,0,0,0,0|2,0,0]=4 2421 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,2,0,0,0,0|2,0,0]=4 2422 B10R1.64 CC(C)Sc1sccc1Br 62a_100000210206_100012361411 [0,2,0,0,0,0|2,0,0]=4 2423 B10R1.64 CC(C)Sc1sccc1Br 62a_100012361411_100000210206 [0,2,0,0,0,0|2,0,0]=4 2424 B10R1.64 CN(C)Cc1sccc1Br 2230a_100000767120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2425 B10R1.64 CN(C)Cc1sccc1Br 269982a_100000767120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2426 B10R1.64 CN(C)Cc1sccc1Br 270004a_100102631434_100000766043 [0,2,0,0,0,0|2,0,0]=4 2427 B10R1.64 CN(C)Cc1sccc1Cl 270004a_100102631434_100000722334 [0,2,0,0,0,0|2,0,0]=4 2428 B10R1.64 CN([13CH3])Cc1sccc1Br 2230a_100000767120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2429 B10R1.64 CN([13CH3])Cc1sccc1Br 269982a_100000767120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2430 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,2,0,0,0,0|2,0,0]=4 2431 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,2,0,0,0,0|2,0,0]=4 2432 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,2,0,0,0,0|2,0,0]=4 2433 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,2,0,0,0,0|2,0,0]=4 2434 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,2,0,0,0,0|2,0,0]=4 2435 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [0,2,0,0,0,0|2,0,0]=4 2436 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [0,2,0,0,0,0|2,0,0]=4 2437 B10R1.281 CC(C)(C)Sc1cccs1 62a_100000211941_100011215356 [0,2,0,0,0,0|2,0,0]=4 2438 B10R1.281 CC(C)(C)Sc1cccs1 62a_100011215356_100000211941 [0,2,0,0,0,0|2,0,0]=4 2439 B10R1.281 FC(F)(F)Sc1cccs1 62a_100011215356_200103152311 [0,2,0,0,0,0|2,0,0]=4 2440 B10R1.281 FC(F)(F)Sc1cccs1 62a_200000243211_100011215356 [0,2,0,0,0,0|2,0,0]=4 2441 B10R1.5 C=Cc1ccsc1CNC 271570a_100011290941_100000767120 [0,2,0,0,0,0|2,0,0]=4 2442 B10R1.5 CCNc1sccc1C#N 27a_100015525214_100009817073 [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.5 CCSc1sccc1C#N 62a_100000210202_100009817073 [0,2,0,0,0,0|2,0,0]=4 2444 B10R1.5 CCSc1sccc1C=O 62a_100000210202_100009816921 [0,2,0,0,0,0|2,0,0]=4 2445 B10R1.5 CCSc1sccc1C=O 62a_100009816921_100000210202 [0,2,0,0,0,0|2,0,0]=4 2446 B10R1.5 CCSc1sccc1CC 62a_100000210202_200009875468 [0,2,0,0,0,0|2,0,0]=4 2447 B10R1.5 CCSc1sccc1CC 62a_200009875468_100000210202 [0,2,0,0,0,0|2,0,0]=4 2448 B10R1.5 CCSc1sccc1CN 62a_100000210202_100000727803 [0,2,0,0,0,0|2,0,0]=4 2449 B10R1.5 CCSc1sccc1CN 62a_100000727803_100000210202 [0,2,0,0,0,0|2,0,0]=4 2450 B10R1.5 CCSc1sccc1CO 62a_100000210202_100009816922 [0,2,0,0,0,0|2,0,0]=4 2451 B10R1.5 CCSc1sccc1CO 62a_100009816922_100000210202 [0,2,0,0,0,0|2,0,0]=4 2452 B10R1.5 CCc1ccsc1SCF 62a_100015361967_200009875468 [0,2,0,0,0,0|2,0,0]=4 2453 B10R1.5 CCc1ccsc1SCF 62a_200009875468_100015361967 [0,2,0,0,0,0|2,0,0]=4 2454 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [0,2,0,0,0,0|2,0,0]=4 2455 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [0,2,0,0,0,0|2,0,0]=4 2456 B10R1.5 CNCc1sccc1SC 62a_100000767120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2457 B10R1.5 CNCc1sccc1SC 62a_200000210301_100000767120 [0,2,0,0,0,0|2,0,0]=4 2458 B10R1.5 CNCc1sccc1S[13CH3] 62a_100000767120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2459 B10R1.5 CNCc1sccc1S[13CH3] 62a_200025704644_100000767120 [0,2,0,0,0,0|2,0,0]=4 2460 B10R1.5 N#Cc1ccsc1SCF 62a_100015361967_100009817073 [0,2,0,0,0,0|2,0,0]=4 2461 B10R1.5 NCc1ccsc1SCF 62a_100000727803_100015361967 [0,2,0,0,0,0|2,0,0]=4 2462 B10R1.5 NCc1ccsc1SCF 62a_100015361967_100000727803 [0,2,0,0,0,0|2,0,0]=4 2463 B10R1.5 O=Cc1ccsc1SCF 62a_100009816921_100015361967 [0,2,0,0,0,0|2,0,0]=4 2464 B10R1.5 O=Cc1ccsc1SCF 62a_100015361967_100009816921 [0,2,0,0,0,0|2,0,0]=4 2465 B10R1.5 OCc1ccsc1SCF 62a_100009816922_100015361967 [0,2,0,0,0,0|2,0,0]=4 2466 B10R1.5 OCc1ccsc1SCF 62a_100015361967_100009816922 [0,2,0,0,0,0|2,0,0]=4 2467 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [0,0,0,1,0,1|2,0,0]=4 2468 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [0,0,0,1,0,1|2,0,0]=4 2469 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [0,0,0,1,0,1|2,0,0]=4 2470 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [0,0,0,1,0,1|2,0,0]=4 2471 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,1,0,1|2,0,0]=4 2472 B10R2.6 c1cnc(nc1)C2CC2 271570a_100011220607_100000211032 [0,0,0,1,0,1|2,0,0]=4 2473 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [0,0,0,1,0,1|2,0,0]=4 2474 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [0,0,0,1,0,1|2,0,0]=4 2475 B10R2.14 Brc1ccc(s1)C2CC2 271570a_100011220607_100010197418 [0,1,0,1,0,0|1,0,0]=3 2476 B10R2.14 Brc1csc(n1)C2CC2 271570a_100011220607_200016082925 [0,1,0,1,0,0|2,0,0]=4 2477 B10R2.14 Cc1cc(sn1)C2CC2 271570a_100011220607_100009815735 [0,1,0,1,0,0|2,0,0]=4 2478 B10R2.14 Cc1ccc(s1)C2CC2 271570a_100011220607_100000761539 [0,1,0,1,0,0|1,0,0]=3 2479 B10R2.14 Cc1cnc(s1)C2CC2 271570a_100011220607_100000690809 [0,1,0,1,0,0|2,0,0]=4 2480 B10R2.14 Cc1csc(c1)C2CC2 271570a_100011220607_100009876951 [0,1,0,1,0,0|1,0,0]=3 2481 B10R2.14 Cc1csc(n1)C2CC2 271570a_100011220607_100011291629 [0,1,0,1,0,0|2,0,0]=4 2482 B10R2.14 Cc1ncc(s1)C2CC2 271570a_100011220607_100000764884 [0,1,0,1,0,0|2,0,0]=4 2483 B10R2.14 Nc1csc(n1)C2CC2 271570a_100011220607_200015188442 [0,1,0,1,0,0|2,0,0]=4 2484 B10R2.14 Oc1cnc(s1)C2CC2 271570a_203496583355_100012360360 [0,1,0,1,0,0|2,0,0]=4 2485 B10R2.14 Oc1csc(n1)C2CC2 271570a_203496583355_100012360350 [0,1,0,1,0,0|2,0,0]=4 2486 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [0,1,0,1,0,0|1,1,0]=4 2487 B10R2.193 c1csc(c1)SC2CC2 62a_100011215356_100000211595 [0,1,0,1,0,0|1,0,0]=3 2488 B10R2.193 c1csc(n1)SC2CC2 62a_100000211983_100000211595 [0,1,0,1,0,0|2,0,0]=4 2489 B10R2.193 c1ncc(s1)SC2CC2 62a_100011934649_100000211595 [0,1,0,1,0,0|2,0,0]=4 2490 B10R2.21 Brc1ccsc1C2CC2 271570a_100011220607_100012361411 [0,1,0,1,0,0|1,0,0]=3 2491 B10R2.21 Cc1ccsc1C2CC2 271570a_100011220607_100000742657 [0,1,0,1,0,0|1,0,0]=3 2492 B10R2.21 Cc1ncsc1C2CC2 271570a_100011220607_100009817116 [0,1,0,1,0,0|2,0,0]=4