0 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,0,0,0,0,0|1,1,1]=3 8 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,0,0,0,0,0|2,1,1]=4 13 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [0,0,0,0,0,0|2,1,1]=4 17 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,0,0,0|2,1,0]=3 28 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,0,0,0,0,0|3,1,0]=4 39 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,0,0,0,0,0|3,1,0]=4 40 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,0,0,0,0,0|3,1,0]=4 47 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,0,0,0,0,0|3,1,0]=4 48 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,0,0,0,0,0|1,0,0]=1 53 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,0,0,0,0,0|1,0,0]=1 54 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,0,0,0,0,0|1,0,0]=1 55 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,0,0,0,0,0|1,0,0]=1 56 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,0,0,0,0,0|1,1,0]=2 57 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,0,0,0,0,0|1,1,0]=2 58 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,0,0,0,0,0|1,1,0]=2 59 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [0,0,0,0,0,0|3,0,0]=3 69 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,0,0,0,0,0|3,0,0]=3 75 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,0,0,0,0,0|3,0,0]=3 79 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,0,0,0,0,0|2,0,0]=2 80 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,0,0,0,0,0|2,1,0]=3 81 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,0,0,0,0,0|2,1,0]=3 82 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,0,0,0,0,0|2,1,0]=3 83 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,0,0,0,0,0|2,1,0]=3 84 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,0,0,0,0,0|2,1,0]=3 85 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,0,0,0,0,0|2,1,0]=3 86 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [0,0,0,0,0,0|3,0,0]=3 87 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [0,0,0,0,0,0|3,0,0]=3 88 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [0,0,0,0,0,0|3,0,0]=3 90 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [0,0,0,0,0,0|3,0,0]=3 91 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [0,0,0,0,0,0|3,0,0]=3 92 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [0,0,0,0,0,0|3,0,0]=3 93 B8R1.8 CNCc1csnn1 270004a_106832991635_100000738508 [0,0,0,0,0,0|4,0,0]=4 94 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [0,0,0,0,0,0|3,0,0]=3 96 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [0,0,0,0,0,0|3,0,0]=3 97 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [0,0,0,0,0,0|2,0,0]=2 99 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [0,0,0,0,0,0|2,0,0]=2 100 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [0,0,0,0,0,0|2,0,0]=2 101 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [0,0,0,0,0,0|2,0,0]=2 102 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [0,0,0,0,0,0|2,0,0]=2 103 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [0,0,0,0,0,0|2,1,0]=3 104 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [0,0,0,0,0,0|2,1,0]=3 105 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [0,0,0,0,0,0|2,1,0]=3 106 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [0,0,0,0,0,0|2,1,0]=3 107 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [0,0,0,0,0,0|2,1,0]=3 108 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [0,0,0,0,0,0|2,1,0]=3 109 B8R1.8 CNCc1ncon1 34a_100102657272_100000233494 [0,0,0,0,0,0|4,0,0]=4 110 B8R1.8 CNCc1nnc[nH]1 2230a_200015183720_200000210301 [0,0,0,0,0,0|4,0,0]=4 111 B8R1.8 CNCn1cncn1 2230a_106832991635_200020645497 [0,0,0,0,0,0|4,0,0]=4 112 B8R1.8 CNCn1cncn1 34a_100102657272_200020645497 [0,0,0,0,0,0|4,0,0]=4 113 B8R1.8 CNCn1cncn1 7a_106832991635_200020645497 [0,0,0,0,0,0|4,0,0]=4 114 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,0,0,0,0,0|1,1,2]=4 115 B8R1.8 COCN1CC=CC1 269982a_100015195280_100000766300 [0,0,0,0,0,0|2,1,1]=4 116 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,0,0,0,0,0|2,1,0]=3 117 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,0,0,0,0,0|0,1,0]=1 118 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,0,0,0,0,0|0,2,0]=2 119 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,0,0,0,0,0|2,1,0]=3 120 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,0,0,0,0,0|1,1,0]=2 121 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,0,0,0,0,0|2,1,0]=3 122 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,0,0,0,0,0|2,1,0]=3 123 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,0,0,0,0,0|2,1,0]=3 124 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,0,0,0,0,0|2,1,0]=3 125 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,0,0,0,0,0|1,2,0]=3 126 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,0,0,0,0,0|2,1,0]=3 127 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [0,0,0,0,0,0|2,1,0]=3 128 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [0,0,0,0,0,0|1,1,0]=2 129 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [0,0,0,0,0,0|1,1,0]=2 130 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [0,0,0,0,0,0|1,2,0]=3 131 B8R1.8 COCc1ncon1 34a_100138415774_100000233494 [0,0,0,0,0,0|3,1,0]=4 132 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [0,0,0,0,0,0|2,1,0]=3 133 B8R1.8 COCn1cncn1 34a_100138415774_200020645497 [0,0,0,0,0,0|3,1,0]=4 134 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [0,0,0,0,0,0|2,0,2]=4 135 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [0,0,0,0,0,0|2,0,2]=4 136 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,0,0,0,0|0,0,4]=4 137 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,0,0,0,0|0,0,4]=4 138 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,0,0,0,0,0|1,0,3]=4 139 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,0,0,0,0,0|1,0,3]=4 140 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [0,0,0,0,0,0|2,0,1]=3 141 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,0,0,0,0,0|2,0,0]=2 142 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,0,0,0,0,0|2,0,0]=2 143 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,0,0,0,0,0|2,0,0]=2 144 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,0,0,0,0,0|2,0,0]=2 145 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,0,0,0,0,0|2,0,0]=2 146 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,0,0,0,0,0|2,0,0]=2 147 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,0,0,0,0,0|2,0,0]=2 148 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,0,0,0,0,0|2,0,0]=2 149 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,0,0,0,0,0|1,1,0]=2 150 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,0,0,0,0,0|1,1,0]=2 151 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,0,0,0,0,0|2,0,0]=2 152 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,0,0,0,0,0|2,0,0]=2 153 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,0,0,0,0,0|2,0,0]=2 154 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,0,0,0,0,0|2,0,0]=2 155 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,0,0,0,0,0|1,0,0]=1 156 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,0,0,0,0,0|1,0,0]=1 157 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [0,0,0,0,0,0|1,1,0]=2 158 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [0,0,0,0,0,0|1,1,0]=2 159 B8R1.8 CSCc1ncon1 62a_100000233494_200000210301 [0,0,0,0,0,0|3,0,0]=3 160 B8R1.8 CSCc1ncon1 62a_200000210301_100000233494 [0,0,0,0,0,0|3,0,0]=3 161 B8R1.8 CSCc1nnn[nH]1 62a_100000765167_200000210301 [0,0,0,0,0,0|4,0,0]=4 162 B8R1.8 CSCc1nnn[nH]1 62a_200000210301_100000765167 [0,0,0,0,0,0|4,0,0]=4 163 B8R1.8 CSCn1cncn1 62a_200000210301_200020645497 [0,0,0,0,0,0|3,0,0]=3 164 B8R1.8 CSCn1cncn1 62a_200020645497_200000210301 [0,0,0,0,0,0|3,0,0]=3 165 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,0,0,0,0,0|3,0,0]=3 166 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,0,0,0,0,0|3,0,0]=3 167 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,0,0,0,0,0|3,1,0]=4 168 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,0,0,0,0,0|3,1,0]=4 169 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,0,0,0,0,0|4,0,0]=4 170 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,0,0,0,0,0|4,0,0]=4 171 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [0,0,0,0,0,0|4,0,0]=4 172 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [0,0,0,0,0,0|4,0,0]=4 173 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,0,0,0,0,0|1,0,0]=1 174 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,0,0,0,0,0|1,0,0]=1 175 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,0,0,0,0,0|1,1,0]=2 176 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,0,0,0,0,0|3,0,0]=3 177 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,0,0,0,0,0|3,0,0]=3 178 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,0,0,0,0,0|3,0,0]=3 179 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,0,0,0,0,0|3,0,0]=3 180 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,0,0,0,0,0|2,1,0]=3 181 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [0,0,0,0,0,0|3,0,0]=3 182 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [0,0,0,0,0,0|2,0,0]=2 183 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [0,0,0,0,0,0|2,1,0]=3 184 B8R1.8 [13CH3]NCc1nnc[nH]1 2230a_200015183720_200025704644 [0,0,0,0,0,0|4,0,0]=4 185 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,0,0,0,0,0|1,1,2]=4 186 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,0,0,0,0,0|0,1,0]=1 187 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,0,0,0,0,0|0,2,0]=2 188 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,0,0,0,0,0|1,1,0]=2 189 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,0,0,0,0,0|2,1,0]=3 190 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,0,0,0,0,0|2,1,0]=3 191 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [0,0,0,0,0,0|1,1,0]=2 192 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [0,0,0,0,0,0|2,1,0]=3 193 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [0,0,0,0,0,0|2,0,2]=4 194 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [0,0,0,0,0,0|2,0,2]=4 195 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,0,0,0,0|0,0,4]=4 196 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,0,0,0,0|0,0,4]=4 197 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,0,0,0,0,0|1,0,3]=4 198 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,0,0,0,0,0|1,0,3]=4 199 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,0,0,0,0,0|2,0,0]=2 200 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,0,0,0,0,0|2,0,0]=2 201 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,0,0,0,0,0|2,0,0]=2 202 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,0,0,0,0,0|2,0,0]=2 203 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,0,0,0,0,0|2,0,0]=2 204 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,0,0,0,0,0|2,0,0]=2 205 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,0,0,0,0,0|2,0,0]=2 206 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,0,0,0,0,0|2,0,0]=2 207 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,0,0,0,0,0|1,1,0]=2 208 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,0,0,0,0,0|1,1,0]=2 209 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,0,0,0,0,0|2,0,0]=2 210 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,0,0,0,0,0|2,0,0]=2 211 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,0,0,0,0,0|2,0,0]=2 212 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,0,0,0,0,0|2,0,0]=2 213 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,0,0,0,0,0|1,0,0]=1 214 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,0,0,0,0,0|1,0,0]=1 215 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [0,0,0,0,0,0|1,1,0]=2 216 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [0,0,0,0,0,0|1,1,0]=2 217 B8R1.8 [13CH3]SCc1ncon1 62a_100000233494_200025704644 [0,0,0,0,0,0|3,0,0]=3 218 B8R1.8 [13CH3]SCc1ncon1 62a_200025704644_100000233494 [0,0,0,0,0,0|3,0,0]=3 219 B8R1.8 [13CH3]SCc1nnn[nH]1 62a_100000765167_200025704644 [0,0,0,0,0,0|4,0,0]=4 220 B8R1.8 [13CH3]SCc1nnn[nH]1 62a_200025704644_100000765167 [0,0,0,0,0,0|4,0,0]=4 221 B8R1.8 [13CH3]SCn1cncn1 62a_200020645497_200025704644 [0,0,0,0,0,0|3,0,0]=3 222 B8R1.8 [13CH3]SCn1cncn1 62a_200025704644_200020645497 [0,0,0,0,0,0|3,0,0]=3 223 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|0,0,2]=3 224 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|0,1,2]=4 225 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|1,0,2]=4 226 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|1,0,2]=4 227 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,0,0,0|2,0,1]=4 228 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,0,0|2,1,0]=4 229 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,0,0|2,1,0]=4 230 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,0,0|2,0,0]=3 231 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,0,0|2,0,0]=3 232 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [1,0,0,0,0,0|3,0,0]=4 234 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,0,0,0,0,0|2,0,0]=3 235 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,0,0,0,0,0|2,0,0]=3 236 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|0,0,0]=1 237 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|0,0,0]=1 238 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|0,1,0]=2 239 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|0,1,0]=2 240 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,0,0|2,0,0]=3 241 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,0,0|2,0,0]=3 242 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,0,0,0,0,0|2,0,0]=3 243 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,0,0,0,0,0|2,0,0]=3 244 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,0,0|2,0,0]=3 245 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,0,0|2,0,0]=3 246 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,0,0,0|2,0,0]=3 247 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,0,0,0|2,0,0]=3 248 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,0,0,0,0,0|3,0,0]=4 250 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,0,0,0|1,0,0]=2 251 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,0,0,0|1,0,0]=2 252 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,0,0|1,1,0]=3 253 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,0,0|1,1,0]=3 254 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [1,0,0,0,0,0|3,0,0]=4 256 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [1,0,0,0,0,0|3,0,0]=4 257 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [1,0,0,0,0,0|3,0,0]=4 258 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,0,0|2,0,0]=3 259 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,0,0|2,0,0]=3 260 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [1,0,0,0,0,0|3,0,0]=4 261 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [1,0,0,0,0,0|3,0,0]=4 262 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|2,0,0]=3 263 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|2,0,0]=3 264 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,0,0,0|1,0,0]=2 265 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,0,0,0|1,0,0]=2 266 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,0,0|1,1,0]=3 267 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,0,0|1,1,0]=3 268 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,0,0,0,0,0|2,1,0]=4 269 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,0,0,0,0,0|2,1,0]=4 270 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,0,0,0,0,0|2,1,0]=4 271 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,0,0,0,0,0|2,1,0]=4 272 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,0,0|2,1,0]=4 273 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,0,0|2,1,0]=4 274 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,0,0|2,0,0]=3 275 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,0,0|2,0,0]=3 276 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [1,0,0,0,0,0|3,0,0]=4 277 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [1,0,0,0,0,0|3,0,0]=4 278 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,0,0,0,0,0|2,0,0]=3 279 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,0,0,0,0,0|2,0,0]=3 280 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|0,0,0]=1 281 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|0,0,0]=1 282 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|0,1,0]=2 283 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|0,1,0]=2 284 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,0,0|2,0,0]=3 286 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,0,0,0,0,0|2,0,0]=3 287 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,0,0,0,0,0|2,0,0]=3 288 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,0,0|2,0,0]=3 290 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,0,0,0|2,0,0]=3 291 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,0,0,0|2,0,0]=3 292 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,0,0,0,0,0|3,0,0]=4 294 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,0,0,0|1,0,0]=2 295 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,0,0,0|1,0,0]=2 296 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,0,0|1,1,0]=3 297 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,0,0|1,1,0]=3 298 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [1,0,0,0,0,0|3,0,0]=4 300 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [1,0,0,0,0,0|3,0,0]=4 302 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,0,0|2,0,0]=3 303 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,0,0|2,0,0]=3 304 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [1,0,0,0,0,0|3,0,0]=4 306 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|2,0,0]=3 307 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|2,0,0]=3 308 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,0,0,0|1,0,0]=2 309 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,0,0,0|1,0,0]=2 310 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,0,0|1,1,0]=3 311 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,0,0|1,1,0]=3 312 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,0,0,0,0,0|2,1,0]=4 313 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,0,0,0,0,0|2,1,0]=4 314 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,0,0,0,0,0|2,1,0]=4 315 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,0,0,0,0,0|2,1,0]=4 316 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,1,0,0,0,0|1,1,1]=4 317 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,1,0,0,0,0|1,1,1]=4 318 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,1,0,0,0,0|1,1,1]=4 319 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,0,0,0|1,1,0]=3 320 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,1,0,0,0,0|2,1,0]=4 325 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,1,0,0,0,0|2,1,0]=4 326 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,1,0,0,0,0|2,1,0]=4 327 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,1,0,0,0,0|2,1,0]=4 328 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,1,0,0,0,0|2,1,0]=4 329 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,1,0,0,0,0|2,1,0]=4 330 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.7 CNCc1c[nH]c(n1)C 207a_100102657272_100011219055 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [0,1,0,0,0,0|1,0,0]=2 334 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [0,1,0,0,0,0|1,1,0]=3 335 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [0,1,0,0,0,0|1,1,0]=3 336 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [0,1,0,0,0,0|1,1,0]=3 337 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [0,1,0,0,0,0|1,1,0]=3 338 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [0,1,0,0,0,0|1,1,0]=3 339 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [0,1,0,0,0,0|1,1,0]=3 340 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [0,1,0,0,0,0|1,1,0]=3 341 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,1,0,0,0,0|1,1,0]=3 342 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,1,0,0,0,0|1,1,0]=3 343 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,1,0,0,0,0|1,1,0]=3 344 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,1,0,0,0,0|1,1,0]=3 345 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [0,1,0,0,0,0|1,1,0]=3 346 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [0,1,0,0,0,0|1,1,0]=3 347 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [0,1,0,0,0,0|1,1,0]=3 348 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [0,1,0,0,0,0|1,1,0]=3 349 B9R1.7 CNCc1cc(n[nH]1)C 207a_100102657272_100000028150 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.7 CNCc1cc(n[nH]1)C 270004a_106832991635_100000028150 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [0,1,0,0,0,0|2,0,0]=3 354 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [0,1,0,0,0,0|2,0,0]=3 355 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [0,1,0,0,0,0|2,0,0]=3 356 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [0,1,0,0,0,0|2,0,0]=3 362 B9R1.7 CNCc1cc(on1)C 207a_100102657272_100011217994 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.7 CNCc1cc(on1)C 2230a_100000745230_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.7 CNCc1cc(on1)C 2230a_106832991635_100000199038 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.7 CNCc1cc(on1)C 270004a_106832991635_100011217994 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.7 CNCc1cc(on1)C 34a_100000745230_200000210301 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.7 CNCc1cc(on1)C 34a_100102657272_100000199038 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.7 CNCc1cc(on1)C 7a_106832991635_100000199038 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.7 CNCc1cc(sn1)C 207a_100102657272_200000100279 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.7 CNCc1cc(sn1)C 270004a_106832991635_200000100279 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,1,0,0,0,0|1,0,0]=2 372 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,1,0,0,0,0|1,0,0]=2 373 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,1,0,0,0,0|1,0,0]=2 374 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,1,0,0,0,0|1,0,0]=2 375 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,1,0,0,0,0|1,0,0]=2 376 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,1,0,0,0,0|1,0,0]=2 377 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,1,0,0,0,0|1,0,0]=2 378 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,1,0,0,0,0|1,0,0]=2 379 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,1,0,0,0,0|1,0,0]=2 380 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,1,0,0,0,0|1,1,0]=3 382 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,1,0,0,0,0|1,1,0]=3 383 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,1,0,0,0,0|1,1,0]=3 384 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,1,0,0,0,0|1,1,0]=3 385 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,1,0,0,0,0|1,1,0]=3 386 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,1,0,0,0,0|1,1,0]=3 387 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,1,0,0,0,0|1,1,0]=3 388 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,1,0,0,0,0|1,1,0]=3 389 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,1,0,0,0,0|1,1,0]=3 390 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,1,0,0,0,0|1,1,0]=3 391 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,1,0,0,0,0|1,1,0]=3 392 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,1,0,0,0,0|1,1,0]=3 393 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,1,0,0,0,0|1,1,0]=3 394 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,1,0,0,0,0|1,1,0]=3 395 B9R1.7 CNCc1ccn(n1)C 207a_100102657272_100000750880 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.7 CNCc1ccn(n1)C 2230a_100020636201_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.7 CNCc1ccn(n1)C 2230a_106832991635_100000726502 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.7 CNCc1ccn(n1)C 270004a_106832991635_100000750880 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.7 CNCc1ccn(n1)C 34a_100020636201_200000210301 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.7 CNCc1ccn(n1)C 34a_100102657272_100000726502 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.7 CNCc1ccn(n1)C 7a_106832991635_100000726502 [0,1,0,0,0,0|3,0,0]=4 402 B9R1.7 CNCc1cn(cn1)C 207a_100102657272_100000684808 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.7 CNCc1cn(cn1)C 2230a_106832991635_100000717665 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.7 CNCc1cn(cn1)C 270004a_106832991635_100000684808 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.7 CNCc1cn(cn1)C 34a_100102657272_100000717665 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.7 CNCc1cn(cn1)C 7a_106832991635_100000717665 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,1,0,0,0,0|2,0,0]=3 408 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.7 CNCc1cnc(s1)Br 2230a_100000726991_200000210301 [0,1,0,0,0,0|2,1,0]=4 410 B9R1.7 CNCc1cnc(s1)Br 2230a_106832991635_100000717027 [0,1,0,0,0,0|2,1,0]=4 411 B9R1.7 CNCc1cnc(s1)Br 270004a_106832991635_100009814069 [0,1,0,0,0,0|2,1,0]=4 412 B9R1.7 CNCc1cnc(s1)Br 34a_100102657272_100000717027 [0,1,0,0,0,0|2,1,0]=4 413 B9R1.7 CNCc1cnc(s1)Br 7a_106832991635_100000717027 [0,1,0,0,0,0|2,1,0]=4 414 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,1,0,0,0,0|2,1,0]=4 415 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,1,0,0,0,0|2,1,0]=4 416 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,1,0,0,0,0|2,1,0]=4 417 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,1,0,0,0,0|2,1,0]=4 418 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,1,0,0,0,0|2,1,0]=4 419 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,1,0,0,0,0|2,1,0]=4 420 B9R1.7 CNCc1cnc(s1)Cl 2230a_100000726635_200000210301 [0,1,0,0,0,0|2,1,0]=4 421 B9R1.7 CNCc1cnc(s1)Cl 2230a_106832991635_100000058068 [0,1,0,0,0,0|2,1,0]=4 422 B9R1.7 CNCc1cnc(s1)Cl 270004a_106832991635_100000696999 [0,1,0,0,0,0|2,1,0]=4 423 B9R1.7 CNCc1cnc(s1)Cl 34a_100102657272_100000058068 [0,1,0,0,0,0|2,1,0]=4 424 B9R1.7 CNCc1cnc(s1)Cl 7a_106832991635_100000058068 [0,1,0,0,0,0|2,1,0]=4 425 B9R1.7 CNCc1coc(n1)C 207a_100102657272_100011361629 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.7 CNCc1coc(n1)C 270004a_106832991635_100011361629 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.7 CNCc1csc(c1)Br 207a_100102657272_100000737087 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.7 CNCc1csc(c1)Br 270004a_106832991635_100000737087 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.7 CNCc1csc(c1)Cl 207a_100102657272_100009844934 [0,1,0,0,0,0|3,0,0]=4 432 B9R1.7 CNCc1csc(c1)Cl 270004a_106832991635_100009844934 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.7 CNCc1csc(n1)Br 270004a_106832991635_100009816748 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.7 CNCc1csc(n1)C 207a_100102657272_100000203724 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.7 CNCc1csc(n1)C 2230a_106832991635_100015186478 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.7 CNCc1csc(n1)C 270004a_106832991635_100000203724 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.7 CNCc1csc(n1)C 34a_100000707933_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.7 CNCc1csc(n1)C 34a_100102657272_100015186478 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.7 CNCc1csc(n1)C 7a_106832991635_100015186478 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.7 CNCc1csc(n1)Cl 2230a_106832991635_100000024076 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.7 CNCc1csc(n1)Cl 270004a_106832991635_100011935135 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.7 CNCc1csc(n1)Cl 34a_100102657272_100000024076 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.7 CNCc1csc(n1)Cl 7a_106832991635_100000024076 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.7 CNCc1nc(c[nH]1)C 207a_100102657272_100000082322 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.7 CNCc1nc(c[nH]1)C 270004a_106832991635_100000082322 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.7 CNCc1nc(cs1)Br 270004a_106832991635_100009816814 [0,1,0,0,0,0|2,1,0]=4 447 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [0,1,0,0,0,0|2,1,0]=4 448 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [0,1,0,0,0,0|2,1,0]=4 449 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [0,1,0,0,0,0|2,1,0]=4 450 B9R1.7 CNCc1nc(no1)C 2230a_106832991635_100000735555 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.7 CNCc1nc(no1)C 34a_100102657272_100000735555 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.7 CNCc1nc(no1)C 7a_106832991635_100000735555 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [0,1,0,0,0,0|2,0,0]=3 454 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [0,1,0,0,0,0|2,0,0]=3 455 B9R1.7 CNCc1ncc(s1)Br 270004a_106832991635_100000699580 [0,1,0,0,0,0|2,1,0]=4 456 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [0,1,0,0,0,0|2,1,0]=4 457 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [0,1,0,0,0,0|2,1,0]=4 458 B9R1.7 CNCc1ncc(s1)Cl 270004a_106832991635_100000699884 [0,1,0,0,0,0|2,1,0]=4 459 B9R1.7 CNCc1nnc(o1)C 2230a_106832991635_100000181450 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.7 CNCc1nnc(o1)C 2230a_200000236979_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.7 CNCc1nnc(o1)C 34a_200000236979_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.7 CNCc1nnc(o1)C 7a_106832991635_100000181450 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,1,0,0,0,0|2,1,0]=4 464 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [0,1,0,0,0,0|0,2,0]=3 465 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [0,1,0,0,0,0|0,2,0]=3 466 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [0,1,0,0,0,0|0,2,0]=3 467 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,1,0,0,0,0|0,2,0]=3 468 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,1,0,0,0,0|0,2,0]=3 469 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [0,1,0,0,0,0|0,2,0]=3 470 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [0,1,0,0,0,0|1,1,0]=3 471 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,1,0,0,0,0|1,1,0]=3 472 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,1,0,0,0,0|1,1,0]=3 473 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [0,1,0,0,0,0|2,1,0]=4 474 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [0,1,0,0,0,0|2,1,0]=4 475 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,1,0,0,0,0|0,1,0]=2 476 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,1,0,0,0,0|0,1,0]=2 477 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,1,0,0,0,0|0,1,0]=2 478 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,1,0,0,0,0|0,1,0]=2 479 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,1,0,0,0,0|0,2,0]=3 480 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,1,0,0,0,0|0,2,0]=3 481 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,1,0,0,0,0|0,2,0]=3 482 B9R1.7 COCc1ccn(n1)C 34a_100000744484_200000210301 [0,1,0,0,0,0|2,1,0]=4 483 B9R1.7 COCc1ccn(n1)C 34a_100138415774_100000726502 [0,1,0,0,0,0|2,1,0]=4 484 B9R1.7 COCc1cn(cn1)C 34a_100000710007_200000210301 [0,1,0,0,0,0|2,1,0]=4 485 B9R1.7 COCc1cn(cn1)C 34a_100138415774_100000717665 [0,1,0,0,0,0|2,1,0]=4 486 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [0,1,0,0,0,0|1,2,0]=4 487 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [0,1,0,0,0,0|1,2,0]=4 488 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,1,0,0,0,0|1,2,0]=4 489 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,1,0,0,0,0|1,2,0]=4 490 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [0,1,0,0,0,0|1,2,0]=4 491 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [0,1,0,0,0,0|1,2,0]=4 492 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [0,1,0,0,0,0|1,2,0]=4 493 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [0,1,0,0,0,0|2,1,0]=4 494 B9R1.7 COCc1csc(c1)Cl 34a_100009863405_200000210301 [0,1,0,0,0,0|2,1,0]=4 495 B9R1.7 COCc1csc(c1)Cl 7a_100009863405_200000210301 [0,1,0,0,0,0|2,1,0]=4 496 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [0,1,0,0,0,0|2,1,0]=4 497 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [0,1,0,0,0,0|2,1,0]=4 498 B9R1.7 COCc1csc(n1)Cl 34a_100138415774_100000024076 [0,1,0,0,0,0|2,1,0]=4 499 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [0,1,0,0,0,0|1,2,0]=4 500 B9R1.7 COCc1nc(no1)C 270196a_100000212224_100000210968 [0,1,0,0,0,0|2,1,0]=4 501 B9R1.7 COCc1nc(no1)C 34a_100000749583_200000210301 [0,1,0,0,0,0|2,1,0]=4 502 B9R1.7 COCc1nc(no1)C 34a_100138415774_100000735555 [0,1,0,0,0,0|2,1,0]=4 503 B9R1.7 COCc1nnc(o1)C 34a_100000749586_200000210301 [0,1,0,0,0,0|2,1,0]=4 504 B9R1.7 COCn1cc(cn1)Cl 34a_100000732729_200000210301 [0,1,0,0,0,0|2,1,0]=4 505 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,1,0,0,0,0|2,0,0]=3 506 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,0,0,0|1,0,2]=4 508 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,0,0,0|1,0,2]=4 509 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,0,0,0|1,0,2]=4 510 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,0,0,0|1,0,2]=4 511 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [0,1,0,0,0,0|0,1,0]=2 512 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [0,1,0,0,0,0|0,1,0]=2 513 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [0,1,0,0,0,0|1,0,0]=2 514 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [0,1,0,0,0,0|1,0,0]=2 515 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [0,1,0,0,0,0|1,0,0]=2 516 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [0,1,0,0,0,0|1,0,0]=2 517 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,1,0,0,0,0|2,0,0]=3 518 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,1,0,0,0,0|2,0,0]=3 519 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,1,0,0,0,0|0,1,0]=2 520 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,1,0,0,0,0|0,1,0]=2 521 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,1,0,0,0,0|0,1,0]=2 522 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,1,0,0,0,0|0,1,0]=2 523 B9R1.7 CSCc1ccn(n1)C 62a_100000726502_200000210301 [0,1,0,0,0,0|2,0,0]=3 524 B9R1.7 CSCc1ccn(n1)C 62a_200000210301_100000726502 [0,1,0,0,0,0|2,0,0]=3 525 B9R1.7 CSCc1cn(cn1)C 62a_100000717665_200000210301 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.7 CSCc1cn(cn1)C 62a_200000210301_100000717665 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.7 CSCc1cnc(s1)Br 62a_100000717027_200000210301 [0,1,0,0,0,0|1,1,0]=3 528 B9R1.7 CSCc1cnc(s1)Br 62a_200000210301_100000717027 [0,1,0,0,0,0|1,1,0]=3 529 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,1,0,0,0,0|1,1,0]=3 530 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,1,0,0,0,0|1,1,0]=3 531 B9R1.7 CSCc1cnc(s1)Cl 62a_100000058068_200000210301 [0,1,0,0,0,0|1,1,0]=3 532 B9R1.7 CSCc1cnc(s1)Cl 62a_200000210301_100000058068 [0,1,0,0,0,0|1,1,0]=3 533 B9R1.7 CSCc1cnn(c1)C 62a_100000744441_200000210301 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.7 CSCc1cnn(c1)C 62a_200000210301_100000744441 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.7 CSCc1csc(n1)C 62a_100015186478_200000210301 [0,1,0,0,0,0|2,0,0]=3 536 B9R1.7 CSCc1csc(n1)C 62a_200000210301_100015186478 [0,1,0,0,0,0|2,0,0]=3 537 B9R1.7 CSCc1csc(n1)Cl 62a_100000024076_200000210301 [0,1,0,0,0,0|2,0,0]=3 538 B9R1.7 CSCc1csc(n1)Cl 62a_200000210301_100000024076 [0,1,0,0,0,0|2,0,0]=3 539 B9R1.7 CSCc1n[nH]c(=O)[nH]1 62a_200000210301_100000754189 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.7 CSCc1nc(no1)C 270196a_100000212224_100000184570 [0,1,0,0,0,0|2,0,0]=3 541 B9R1.7 CSCc1nc(no1)C 62a_100000735555_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B9R1.7 CSCc1nc(no1)C 62a_200000210301_100000735555 [0,1,0,0,0,0|2,0,0]=3 543 B9R1.7 CSCc1ncn(n1)C 62a_100016995526_200000210301 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.7 CSCc1ncn(n1)C 62a_200000210301_100016995526 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.7 CSCc1nnc(o1)C 62a_100000181450_200000210301 [0,1,0,0,0,0|2,0,0]=3 546 B9R1.7 CSCc1nnc(o1)C 62a_200000210301_100000181450 [0,1,0,0,0,0|2,0,0]=3 547 B9R1.7 CSCc1nnc(s1)C 62a_100000688753_200000210301 [0,1,0,0,0,0|2,1,0]=4 548 B9R1.7 CSCc1nnc(s1)C 62a_200000210301_100000688753 [0,1,0,0,0,0|2,1,0]=4 549 B9R1.7 CSCc1noc(n1)C 270196a_100000749773_100000070787 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.7 CSCc1noc(n1)C 62a_100000231061_200000210301 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.7 CSCc1noc(n1)C 62a_200000210301_100000231061 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.7 CSCc1noc(n1)O 270196a_100000749773_100015183105 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.7 CSCc1nsc(n1)Cl 62a_100000043760_200000210301 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.7 CSCc1nsc(n1)Cl 62a_200000210301_100000043760 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.7 CSCn1cc(nn1)C 274090a_100011218213_200000242740 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.7 Cc1cc(no1)CN[13CH3] 2230a_100000745230_200025704644 [0,1,0,0,0,0|3,0,0]=4 557 B9R1.7 Cc1cc(no1)CN[13CH3] 34a_100000745230_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [0,1,0,0,0,0|2,1,0]=4 559 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,1,0,0,0,0|2,0,0]=3 560 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,1,0,0,0,0|2,0,0]=3 561 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [0,1,0,0,0,0|2,0,0]=3 562 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [0,1,0,0,0,0|2,0,0]=3 563 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,1,0,0,0,0|1,1,0]=3 564 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [0,1,0,0,0,0|1,0,0]=2 565 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [0,1,0,0,0,0|1,0,0]=2 566 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,1,0,0,0,0|1,0,0]=2 567 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,1,0,0,0,0|0,1,0]=2 568 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,1,0,0,0,0|0,1,0]=2 569 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,1,0,0,0,0|1,1,0]=3 570 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,1,0,0,0,0|0,2,0]=3 571 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [0,1,0,0,0,0|2,0,0]=3 572 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,1,0,0,0,0|1,1,0]=3 574 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,1,0,0,0,0|1,1,0]=3 575 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,1,0,0,0,0|0,2,0]=3 576 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,1,0,0,0,0|0,2,0]=3 577 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [0,1,0,0,0,0|2,1,0]=4 578 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [0,1,0,0,0,0|2,1,0]=4 579 B9R1.7 Cc1nc(cs1)CN[13CH3] 34a_100000707933_200025704644 [0,1,0,0,0,0|3,0,0]=4 580 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [0,1,0,0,0,0|2,1,0]=4 581 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_100015186478_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_200025704644_100015186478 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_100000231061_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_200025704644_100000231061 [0,1,0,0,0,0|3,0,0]=4 585 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,1,0,0,0,0|2,1,0]=4 586 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,1,0,0,0,0|1,2,0]=4 587 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,1,0,0,0,0|1,1,0]=3 588 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,1,0,0,0,0|1,1,0]=3 589 B9R1.7 Cc1nnc(o1)CN[13CH3] 2230a_200000236979_200025704644 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.7 Cc1nnc(o1)CN[13CH3] 34a_200000236979_200025704644 [0,1,0,0,0,0|3,0,0]=4 591 B9R1.7 Cc1nnc(o1)CO[13CH3] 34a_100000749586_200025704644 [0,1,0,0,0,0|2,1,0]=4 592 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_100000181450_200025704644 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_200025704644_100000181450 [0,1,0,0,0,0|2,0,0]=3 594 B9R1.7 Cc1nnc(s1)CS[13CH3] 62a_100000688753_200025704644 [0,1,0,0,0,0|2,1,0]=4 595 B9R1.7 Cc1nnc(s1)CS[13CH3] 62a_200025704644_100000688753 [0,1,0,0,0,0|2,1,0]=4 596 B9R1.7 Cc1noc(n1)CO[13CH3] 34a_100000749583_200025704644 [0,1,0,0,0,0|2,1,0]=4 597 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_100000735555_200025704644 [0,1,0,0,0,0|2,0,0]=3 598 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_200025704644_100000735555 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.7 Cn1cc(cn1)CS[13CH3] 62a_100000744441_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.7 Cn1cc(cn1)CS[13CH3] 62a_200025704644_100000744441 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.7 Cn1ccc(n1)CN[13CH3] 2230a_100020636201_200025704644 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.7 Cn1ccc(n1)CN[13CH3] 34a_100020636201_200025704644 [0,1,0,0,0,0|3,0,0]=4 603 B9R1.7 Cn1ccc(n1)CO[13CH3] 34a_100000744484_200025704644 [0,1,0,0,0,0|2,1,0]=4 604 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_100000726502_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_200025704644_100000726502 [0,1,0,0,0,0|2,0,0]=3 606 B9R1.7 Cn1cnc(c1)CO[13CH3] 34a_100000710007_200025704644 [0,1,0,0,0,0|2,1,0]=4 607 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_100000717665_200025704644 [0,1,0,0,0,0|2,0,0]=3 608 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_200025704644_100000717665 [0,1,0,0,0,0|2,0,0]=3 609 B9R1.7 Cn1cnc(n1)CS[13CH3] 62a_100016995526_200025704644 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.7 Cn1cnc(n1)CS[13CH3] 62a_200025704644_100016995526 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.7 N#CCc1cc(cs1)O 271570a_203496583355_100000725765 [0,1,0,0,0,0|2,1,0]=4 612 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,1,0,0,0,0|2,1,0]=4 613 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [0,1,0,0,0,0|1,1,0]=3 614 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [0,1,0,0,0,0|1,1,0]=3 615 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [0,1,0,0,0,0|2,0,0]=3 616 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [0,1,0,0,0,0|2,0,0]=3 617 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,1,0,0,0,0|1,0,0]=2 618 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,1,0,0,0,0|1,1,0]=3 619 B9R1.7 [13CH3]NCc1cnc(s1)Br 2230a_100000726991_200025704644 [0,1,0,0,0,0|2,1,0]=4 620 B9R1.7 [13CH3]NCc1cnc(s1)Cl 2230a_100000726635_200025704644 [0,1,0,0,0,0|2,1,0]=4 621 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [0,1,0,0,0,0|0,2,0]=3 622 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [0,1,0,0,0,0|0,2,0]=3 623 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [0,1,0,0,0,0|1,1,0]=3 624 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,1,0,0,0,0|0,1,0]=2 625 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,1,0,0,0,0|0,1,0]=2 626 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [0,1,0,0,0,0|1,2,0]=4 627 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [0,1,0,0,0,0|1,2,0]=4 628 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [0,1,0,0,0,0|1,2,0]=4 629 B9R1.7 [13CH3]OCc1csc(c1)Cl 34a_100009863405_200025704644 [0,1,0,0,0,0|2,1,0]=4 630 B9R1.7 [13CH3]OCc1csc(c1)Cl 7a_100009863405_200025704644 [0,1,0,0,0,0|2,1,0]=4 631 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [0,1,0,0,0,0|1,2,0]=4 632 B9R1.7 [13CH3]OCn1cc(cn1)Cl 34a_100000732729_200025704644 [0,1,0,0,0,0|2,1,0]=4 633 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,1,0,0,0,0|2,0,0]=3 634 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,1,0,0,0,0|2,0,0]=3 635 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,0,0,0|1,0,2]=4 636 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,0,0,0|1,0,2]=4 637 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,0,0,0|1,0,2]=4 638 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,0,0,0|1,0,2]=4 639 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [0,1,0,0,0,0|0,1,0]=2 640 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [0,1,0,0,0,0|0,1,0]=2 641 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [0,1,0,0,0,0|1,0,0]=2 642 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [0,1,0,0,0,0|1,0,0]=2 643 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,1,0,0,0,0|0,1,0]=2 644 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,1,0,0,0,0|0,1,0]=2 645 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,1,0,0,0,0|0,1,0]=2 646 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,1,0,0,0,0|0,1,0]=2 647 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_100000717027_200025704644 [0,1,0,0,0,0|1,1,0]=3 648 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_200025704644_100000717027 [0,1,0,0,0,0|1,1,0]=3 649 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_100000058068_200025704644 [0,1,0,0,0,0|1,1,0]=3 650 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_200025704644_100000058068 [0,1,0,0,0,0|1,1,0]=3 651 B9R1.7 [13CH3]SCc1csc(n1)Cl 62a_100000024076_200025704644 [0,1,0,0,0,0|2,0,0]=3 652 B9R1.7 [13CH3]SCc1csc(n1)Cl 62a_200025704644_100000024076 [0,1,0,0,0,0|2,0,0]=3 653 B9R1.7 [13CH3]SCc1n[nH]c(=O)[nH]1 62a_200025704644_100000754189 [0,1,0,0,0,0|3,0,0]=4 654 B9R1.7 [13CH3]SCc1nsc(n1)Cl 62a_100000043760_200025704644 [0,1,0,0,0,0|3,0,0]=4 655 B9R1.7 [13CH3]SCc1nsc(n1)Cl 62a_200025704644_100000043760 [0,1,0,0,0,0|3,0,0]=4 656 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,1,0,0,0,0|1,1,0]=3 657 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [0,1,0,0,0,0|3,0,0]=4 659 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,1,0,0,0,0|2,1,0]=4 660 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,1,0,0,0,0|2,1,0]=4 661 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,1,0,0,0,0|2,1,0]=4 662 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,1,0,0,0,0|1,2,0]=4 663 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,1,0,0,0,0|3,0,0]=4 664 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,1,0,0,0,0|2,0,0]=3 665 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,1,0,0,0,0|1,1,0]=3 666 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,1,0,0,0,0|1,1,0]=3 667 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [0,1,0,0,0,0|3,0,0]=4 669 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [0,1,0,0,0,0|3,0,0]=4 671 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [0,1,0,0,0,0|3,0,0]=4 672 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,1,0,0,0,0|3,0,0]=4 673 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,1,0,0,0,0|2,1,0]=4 674 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,1,0,0,0,0|1,0,0]=2 675 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,1,0,0,0,0|2,1,0]=4 676 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,1,0,0,0,0|2,1,0]=4 677 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,1,0,0,0,0|1,2,0]=4 678 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,1,0,0,0,0|0,1,0]=2 679 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,1,0,0,0,0|0,1,0]=2 680 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,1,0,0,0,0|0,2,0]=3 681 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,1,0,0,0,0|1,0,0]=2 682 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,1,0,0,0,0|0,2,0]=3 683 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,1,0,0,0,0|0,1,0]=2 684 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,1,0,0,0,0|0,1,0]=2 685 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,1,0,0,0,0|1,0,1]=3 686 B9R1.12 C#CCSc1cccs1 62a_100000038162_100011215356 [0,1,0,0,0,0|1,1,1]=4 687 B9R1.12 C#CCSc1cnco1 62a_100000038162_100020591547 [0,1,0,0,0,0|2,0,1]=4 688 B9R1.12 C#CCSc1ncco1 62a_100000038162_100011787736 [0,1,0,0,0,0|2,0,1]=4 689 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,1,0,0,0,0|1,0,1]=3 690 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,1,0,0,0,0|1,0,1]=3 691 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,1,0,0,0,0|1,1,1]=4 692 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,1,0,0,0,0|1,1,1]=4 693 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,1,0,0,0,0|2,0,1]=4 694 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,1,0,0,0,0|2,0,1]=4 695 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,1,0,0,0,0|2,0,1]=4 696 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,1,0,0,0,0|2,0,1]=4 697 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,1,0,0,0,0|3,0,0]=4 699 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,1,0,0,0,0|1,0,0]=2 700 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,1,0,0,0,0|1,1,0]=3 701 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,1,0,0,0,0|3,0,0]=4 702 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,1,0,0,0,0|3,0,0]=4 703 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,1,0,0,0,0|3,0,0]=4 704 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,1,0,0,0,0|2,0,0]=3 705 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,1,0,0,0,0|2,1,0]=4 706 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,1,0,0,0,0|2,0,0]=3 709 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,1,0,0,0,0|2,1,0]=4 710 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,1,0,0,0,0|3,0,0]=4 713 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,1,0,0,0,0|3,0,0]=4 714 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,1,0,0,0,0|3,0,0]=4 715 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,1,0,0,0,0|3,0,0]=4 716 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,1,0,0,0,0|1,0,0]=2 717 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,1,0,0,0,0|1,0,0]=2 718 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,1,0,0,0,0|1,1,0]=3 719 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,1,0,0,0,0|1,1,0]=3 720 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,1,0,0,0,0|3,0,0]=4 721 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,1,0,0,0,0|3,0,0]=4 722 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,1,0,0,0,0|3,0,0]=4 723 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,1,0,0,0,0|3,0,0]=4 724 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,1,0,0,0,0|3,0,0]=4 725 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,1,0,0,0,0|3,0,0]=4 726 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,1,0,0,0,0|3,0,0]=4 727 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,1,0,0,0,0|3,0,0]=4 728 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,1,0,0,0,0|2,0,0]=3 729 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,1,0,0,0,0|2,0,0]=3 730 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,1,0,0,0,0|2,1,0]=4 731 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,1,0,0,0,0|2,1,0]=4 732 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,1,0,0,0,0|3,0,0]=4 733 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,1,0,0,0,0|3,0,0]=4 734 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,1,0,0,0,0|3,0,0]=4 735 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,1,0,0,0,0|3,0,0]=4 736 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,1,0,0,0,0|2,0,0]=3 737 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,1,0,0,0,0|2,0,0]=3 738 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [0,1,0,0,0,0|2,1,0]=4 739 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [0,1,0,0,0,0|2,1,0]=4 740 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [0,1,0,0,0,0|3,0,0]=4 741 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,1,0,0,0,0|3,0,0]=4 742 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,1,0,0,0,0|3,0,0]=4 743 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,1,0,0,0,0|1,0,0]=2 744 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,1,0,0,0,0|1,0,0]=2 745 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,1,0,0,0,0|1,0,0]=2 746 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,1,0,0,0,0|1,0,0]=2 747 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,1,0,0,0,0|1,1,0]=3 748 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,1,0,0,0,0|1,1,0]=3 749 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,1,0,0,0,0|1,1,0]=3 750 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,1,0,0,0,0|3,0,0]=4 751 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 752 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 753 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 754 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 755 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,1,0,0,0,0|3,0,0]=4 756 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 757 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 758 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,1,0,0,0,0|3,0,0]=4 759 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 760 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 761 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [0,1,0,0,0,0|3,0,0]=4 762 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,1,0,0,0,0|2,0,0]=3 763 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [0,1,0,0,0,0|2,1,0]=4 764 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [0,1,0,0,0,0|2,1,0]=4 765 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [0,1,0,0,0,0|2,1,0]=4 766 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [0,1,0,0,0,0|2,1,0]=4 767 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [0,1,0,0,0,0|3,0,0]=4 768 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [0,1,0,0,0,0|3,0,0]=4 769 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [0,1,0,0,0,0|3,0,0]=4 770 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [0,1,0,0,0,0|3,0,0]=4 771 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [0,1,0,0,0,0|3,0,0]=4 772 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,1,0,0,0,0|3,0,0]=4 773 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,1,0,0,0,0|3,0,0]=4 774 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,1,0,0,0,0|2,0,0]=3 775 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,1,0,0,0,0|2,0,0]=3 776 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,1,0,0,0,0|2,0,0]=3 777 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [0,1,0,0,0,0|2,1,0]=4 778 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [0,1,0,0,0,0|2,1,0]=4 779 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [0,1,0,0,0,0|2,1,0]=4 780 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [0,1,0,0,0,0|2,1,0]=4 781 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,1,0,0,0,0|2,1,0]=4 782 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,1,0,0,0,0|0,1,0]=2 783 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,1,0,0,0,0|0,2,0]=3 784 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,1,0,0,0,0|2,1,0]=4 785 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,1,0,0,0,0|1,1,0]=3 786 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,1,0,0,0,0|2,1,0]=4 787 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,1,0,0,0,0|2,1,0]=4 788 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,1,0,0,0,0|2,1,0]=4 789 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,1,0,0,0,0|2,1,0]=4 790 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,1,0,0,0,0|1,2,0]=4 791 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [0,1,0,0,0,0|2,1,0]=4 792 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,1,0,0,0,0|2,1,0]=4 793 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,1,0,0,0,0|1,1,0]=3 794 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,1,0,0,0,0|1,1,0]=3 795 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [0,1,0,0,0,0|1,2,0]=4 796 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [0,1,0,0,0,0|2,1,0]=4 797 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,1,0,0,0,0|2,0,0]=3 798 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,1,0,0,0,0|2,0,0]=3 799 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,1,0,0,0,0|2,0,0]=3 800 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,1,0,0,0,0|2,0,0]=3 801 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,1,0,0,0,0|2,0,0]=3 802 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,1,0,0,0,0|2,0,0]=3 803 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,1,0,0,0,0|2,0,0]=3 804 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,1,0,0,0,0|2,0,0]=3 805 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,1,0,0,0,0|1,1,0]=3 806 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,1,0,0,0,0|1,1,0]=3 807 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,1,0,0,0,0|2,0,0]=3 808 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,1,0,0,0,0|2,0,0]=3 809 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,1,0,0,0,0|2,0,0]=3 810 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,1,0,0,0,0|2,0,0]=3 811 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,1,0,0,0,0|1,0,0]=2 812 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,1,0,0,0,0|1,0,0]=2 813 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,1,0,0,0,0|1,1,0]=3 814 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,1,0,0,0,0|1,1,0]=3 815 B9R1.12 CCSCc1ncon1 62a_100000210202_100000233494 [0,1,0,0,0,0|3,0,0]=4 816 B9R1.12 CCSCc1ncon1 62a_100000233494_100000210202 [0,1,0,0,0,0|3,0,0]=4 817 B9R1.12 CCSCn1cncn1 62a_100000210202_200020645497 [0,1,0,0,0,0|3,0,0]=4 818 B9R1.12 CCSCn1cncn1 62a_200020645497_100000210202 [0,1,0,0,0,0|3,0,0]=4 819 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,1,0,0,0,0|3,0,0]=4 820 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,1,0,0,0,0|3,0,0]=4 821 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,1,0,0,0,0|1,0,0]=2 822 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,1,0,0,0,0|1,0,0]=2 823 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,1,0,0,0,0|1,1,0]=3 824 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,1,0,0,0,0|1,1,0]=3 825 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,1,0,0,0,0|1,1,0]=3 826 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,1,0,0,0,0|1,1,0]=3 827 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,1,0,0,0,0|1,1,0]=3 828 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,1,0,0,0,0|3,0,0]=4 829 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,1,0,0,0,0|3,0,0]=4 830 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,1,0,0,0,0|2,1,0]=4 831 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,1,0,0,0,0|2,1,0]=4 832 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,1,0,0,0,0|3,0,0]=4 833 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,1,0,0,0,0|3,0,0]=4 834 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,1,0,0,0,0|3,0,0]=4 835 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,1,0,0,0,0|3,0,0]=4 836 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,1,0,0,0,0|3,0,0]=4 837 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,1,0,0,0,0|3,0,0]=4 838 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,1,0,0,0,0|3,0,0]=4 839 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,1,0,0,0,0|0,2,0]=3 840 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,1,0,0,0,0|0,2,0]=3 841 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,1,0,0,0,0|0,2,0]=3 842 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,1,0,0,0,0|2,1,0]=4 843 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,1,0,0,0,0|2,1,0]=4 844 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,1,0,0,0,0|2,1,0]=4 845 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [0,1,0,0,0,0|2,1,0]=4 846 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [0,1,0,0,0,0|2,1,0]=4 847 B9R1.12 COCSc1c[nH]cn1 62a_100000756875_100000766300 [0,1,0,0,0,0|2,1,0]=4 848 B9R1.12 COCSc1c[nH]cn1 62a_100000766300_100000756875 [0,1,0,0,0,0|2,1,0]=4 849 B9R1.12 COCSc1cc[nH]n1 62a_100000062575_100000766300 [0,1,0,0,0,0|2,1,0]=4 850 B9R1.12 COCSc1cc[nH]n1 62a_100000766300_100000062575 [0,1,0,0,0,0|2,1,0]=4 851 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,1,0,0,0,0|0,1,0]=2 852 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,1,0,0,0,0|0,1,0]=2 853 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,1,0,0,0,0|0,2,0]=3 854 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,1,0,0,0,0|0,2,0]=3 855 B9R1.12 COCSc1ccoc1 62a_100000766300_100011215275 [0,1,0,0,0,0|2,1,0]=4 856 B9R1.12 COCSc1ccoc1 62a_100011215275_100000766300 [0,1,0,0,0,0|2,1,0]=4 857 B9R1.12 COCSc1ccon1 62a_100000766300_100009818083 [0,1,0,0,0,0|2,1,0]=4 858 B9R1.12 COCSc1ccon1 62a_100009818083_100000766300 [0,1,0,0,0,0|2,1,0]=4 859 B9R1.12 COCSc1ccsc1 62a_100000738268_100000766300 [0,1,0,0,0,0|2,1,0]=4 860 B9R1.12 COCSc1ccsc1 62a_100000766300_100000738268 [0,1,0,0,0,0|2,1,0]=4 861 B9R1.12 COCSc1ccsn1 62a_100000766300_100009818082 [0,1,0,0,0,0|2,1,0]=4 862 B9R1.12 COCSc1ccsn1 62a_100009818082_100000766300 [0,1,0,0,0,0|2,1,0]=4 863 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [0,1,0,0,0,0|1,1,0]=3 864 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [0,1,0,0,0,0|1,1,0]=3 865 B9R1.12 COCSc1cncs1 62a_100000766300_100011934649 [0,1,0,0,0,0|1,2,0]=4 866 B9R1.12 COCSc1cncs1 62a_100011934649_100000766300 [0,1,0,0,0,0|1,2,0]=4 867 B9R1.12 COCSc1cscn1 62a_100000751502_100000766300 [0,1,0,0,0,0|2,1,0]=4 868 B9R1.12 COCSc1cscn1 62a_100000766300_100000751502 [0,1,0,0,0,0|2,1,0]=4 869 B9R1.12 COCSc1ncc[nH]1 62a_100000766300_100025796157 [0,1,0,0,0,0|2,1,0]=4 870 B9R1.12 COCSc1ncc[nH]1 62a_100025796157_100000766300 [0,1,0,0,0,0|2,1,0]=4 871 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [0,1,0,0,0,0|1,1,0]=3 872 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [0,1,0,0,0,0|1,1,0]=3 873 B9R1.12 COCSc1nccs1 62a_100000211983_100000766300 [0,1,0,0,0,0|1,2,0]=4 874 B9R1.12 COCSc1nccs1 62a_100000766300_100000211983 [0,1,0,0,0,0|1,2,0]=4 875 B9R1.12 CSCCN1CC=CC1 269982a_100015195280_100000212216 [0,1,0,0,0,0|2,0,1]=4 876 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,1,0,0,0,0|2,0,0]=3 877 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,1,0,0,0,0|2,0,0]=3 878 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,1,0,0,0,0|0,1,0]=2 879 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,1,0,0,0,0|0,1,0]=2 880 B9R1.12 CSCCc1cn[nH]c1 62a_100000743252_200000210301 [0,1,0,0,0,0|3,0,0]=4 881 B9R1.12 CSCCc1cn[nH]c1 62a_200000210301_100000743252 [0,1,0,0,0,0|3,0,0]=4 882 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,1,0,0,0,0|2,0,0]=3 883 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,1,0,0,0,0|2,0,0]=3 884 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [0,1,0,0,0,0|2,0,0]=3 885 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [0,1,0,0,0,0|2,0,0]=3 886 B9R1.12 CSCCn1ccnc1 62a_100000702546_200000210301 [0,1,0,0,0,0|3,0,0]=4 887 B9R1.12 CSCCn1ccnc1 62a_200000210301_100000702546 [0,1,0,0,0,0|3,0,0]=4 888 B9R1.12 CSCCn1cncn1 62a_100000731791_200000210301 [0,1,0,0,0,0|3,0,0]=4 889 B9R1.12 CSCCn1cncn1 62a_200000210301_100000731791 [0,1,0,0,0,0|3,0,0]=4 890 B9R1.12 CSCNC1CC=CC1 2230a_100015188752_100011218213 [0,1,0,0,0,0|1,0,2]=4 891 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,1,0,0,0,0|2,0,0]=3 892 B9R1.12 CSCSc1c[nH]cn1 62a_100000756875_100011218213 [0,1,0,0,0,0|2,0,0]=3 893 B9R1.12 CSCSc1c[nH]cn1 62a_100011218213_100000756875 [0,1,0,0,0,0|2,0,0]=3 894 B9R1.12 CSCSc1c[nH]nn1 62a_100009819707_100011218213 [0,1,0,0,0,0|3,0,0]=4 895 B9R1.12 CSCSc1c[nH]nn1 62a_100011218213_100009819707 [0,1,0,0,0,0|3,0,0]=4 896 B9R1.12 CSCSc1cc[nH]n1 62a_100000062575_100011218213 [0,1,0,0,0,0|2,0,0]=3 897 B9R1.12 CSCSc1cc[nH]n1 62a_100011218213_100000062575 [0,1,0,0,0,0|2,0,0]=3 898 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,1,0,0,0,0|0,0,0]=1 899 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,1,0,0,0,0|0,0,0]=1 900 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,1,0,0,0,0|0,1,0]=2 901 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,1,0,0,0,0|0,1,0]=2 902 B9R1.12 CSCSc1ccoc1 62a_100011215275_100011218213 [0,1,0,0,0,0|2,0,0]=3 903 B9R1.12 CSCSc1ccoc1 62a_100011218213_100011215275 [0,1,0,0,0,0|2,0,0]=3 904 B9R1.12 CSCSc1ccon1 62a_100009818083_100011218213 [0,1,0,0,0,0|2,0,0]=3 905 B9R1.12 CSCSc1ccon1 62a_100011218213_100009818083 [0,1,0,0,0,0|2,0,0]=3 906 B9R1.12 CSCSc1ccsc1 62a_100000738268_100011218213 [0,1,0,0,0,0|2,0,0]=3 907 B9R1.12 CSCSc1ccsc1 62a_100011218213_100000738268 [0,1,0,0,0,0|2,0,0]=3 908 B9R1.12 CSCSc1ccsn1 62a_100009818082_100011218213 [0,1,0,0,0,0|2,0,0]=3 909 B9R1.12 CSCSc1ccsn1 62a_100011218213_100009818082 [0,1,0,0,0,0|2,0,0]=3 910 B9R1.12 CSCSc1cn[nH]c1 62a_100000238712_100011218213 [0,1,0,0,0,0|3,0,0]=4 911 B9R1.12 CSCSc1cn[nH]c1 62a_100011218213_100000238712 [0,1,0,0,0,0|3,0,0]=4 912 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [0,1,0,0,0,0|1,0,0]=2 913 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [0,1,0,0,0,0|1,0,0]=2 914 B9R1.12 CSCSc1cncs1 62a_100011218213_100011934649 [0,1,0,0,0,0|1,1,0]=3 915 B9R1.12 CSCSc1cncs1 62a_100011934649_100011218213 [0,1,0,0,0,0|1,1,0]=3 916 B9R1.12 CSCSc1cnoc1 62a_100009815712_100011218213 [0,1,0,0,0,0|3,0,0]=4 917 B9R1.12 CSCSc1cnoc1 62a_100011218213_100009815712 [0,1,0,0,0,0|3,0,0]=4 918 B9R1.12 CSCSc1cnsc1 62a_100009815736_100011218213 [0,1,0,0,0,0|3,0,0]=4 919 B9R1.12 CSCSc1cnsc1 62a_100011218213_100009815736 [0,1,0,0,0,0|3,0,0]=4 920 B9R1.12 CSCSc1cscn1 62a_100000751502_100011218213 [0,1,0,0,0,0|2,0,0]=3 921 B9R1.12 CSCSc1cscn1 62a_100011218213_100000751502 [0,1,0,0,0,0|2,0,0]=3 922 B9R1.12 CSCSc1nc[nH]n1 62a_100000761765_100011218213 [0,1,0,0,0,0|3,0,0]=4 923 B9R1.12 CSCSc1nc[nH]n1 62a_100011218213_100000761765 [0,1,0,0,0,0|3,0,0]=4 924 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [0,1,0,0,0,0|2,0,0]=3 925 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [0,1,0,0,0,0|2,0,0]=3 926 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [0,1,0,0,0,0|1,0,0]=2 927 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [0,1,0,0,0,0|1,0,0]=2 928 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [0,1,0,0,0,0|1,1,0]=3 929 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [0,1,0,0,0,0|1,1,0]=3 930 B9R1.12 CSCSc1ncns1 62a_100000693119_100011218213 [0,1,0,0,0,0|2,1,0]=4 931 B9R1.12 CSCSc1ncns1 62a_100011218213_100000693119 [0,1,0,0,0,0|2,1,0]=4 932 B9R1.12 CSCSc1nncs1 62a_100000739804_100011218213 [0,1,0,0,0,0|2,1,0]=4 933 B9R1.12 CSCSc1nncs1 62a_100011218213_100000739804 [0,1,0,0,0,0|2,1,0]=4 934 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,1,0,0,0,0|2,0,0]=3 935 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,1,0,0,0,0|2,0,0]=3 936 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,1,0,0,0,0|2,1,0]=4 937 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,1,0,0,0,0|2,1,0]=4 938 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,1,0,0,0,0|3,0,0]=4 939 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,1,0,0,0,0|3,0,0]=4 940 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [0,1,0,0,0,0|3,0,0]=4 941 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [0,1,0,0,0,0|3,0,0]=4 942 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,1,0,0,0,0|1,0,0]=2 943 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,1,0,0,0,0|3,0,0]=4 944 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,1,0,0,0,0|3,0,0]=4 945 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,1,0,0,0,0|0,1,0]=2 946 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,1,0,0,0,0|0,2,0]=3 947 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,1,0,0,0,0|1,1,0]=3 948 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,1,0,0,0,0|2,1,0]=4 949 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,1,0,0,0,0|2,1,0]=4 950 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [0,1,0,0,0,0|1,1,0]=3 951 B9R1.12 FCOCn1cccn1 34a_100000731028_100015361967 [0,1,0,0,0,0|2,1,0]=4 952 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,1,0,0,0,0|2,0,0]=3 953 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,1,0,0,0,0|2,0,0]=3 954 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,1,0,0,0,0|2,0,0]=3 955 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,1,0,0,0,0|2,0,0]=3 956 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,1,0,0,0,0|2,0,0]=3 957 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,1,0,0,0,0|2,0,0]=3 958 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,1,0,0,0,0|2,0,0]=3 959 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,1,0,0,0,0|2,0,0]=3 960 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,1,0,0,0,0|1,1,0]=3 961 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,1,0,0,0,0|1,1,0]=3 962 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,1,0,0,0,0|2,0,0]=3 963 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,1,0,0,0,0|2,0,0]=3 964 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,1,0,0,0,0|2,0,0]=3 965 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,1,0,0,0,0|2,0,0]=3 966 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [0,1,0,0,0,0|1,0,0]=2 967 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [0,1,0,0,0,0|1,0,0]=2 968 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [0,1,0,0,0,0|1,1,0]=3 969 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [0,1,0,0,0,0|1,1,0]=3 970 B9R1.12 FCSCc1ncon1 62a_100000233494_100015361967 [0,1,0,0,0,0|3,0,0]=4 971 B9R1.12 FCSCc1ncon1 62a_100015361967_100000233494 [0,1,0,0,0,0|3,0,0]=4 972 B9R1.12 FCSCn1cncn1 62a_100015361967_200020645497 [0,1,0,0,0,0|3,0,0]=4 973 B9R1.12 FCSCn1cncn1 62a_200020645497_100015361967 [0,1,0,0,0,0|3,0,0]=4 974 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,1,0,0,0,0|2,0,0]=3 975 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,1,0,0,0,0|2,0,0]=3 976 B9R1.12 N#CCSc1cccs1 62a_100011215356_100011215382 [0,1,0,0,0,0|2,1,0]=4 977 B9R1.12 N#CCSc1cccs1 62a_100011215382_100011215356 [0,1,0,0,0,0|2,1,0]=4 978 B9R1.12 N#CCSc1cnco1 62a_100011215382_100020591547 [0,1,0,0,0,0|3,0,0]=4 979 B9R1.12 N#CCSc1cnco1 62a_100020591547_100011215382 [0,1,0,0,0,0|3,0,0]=4 980 B9R1.12 N#CCSc1ncco1 62a_100011215382_100011787736 [0,1,0,0,0,0|3,0,0]=4 981 B9R1.12 N#CCSc1ncco1 62a_100011787736_100011215382 [0,1,0,0,0,0|3,0,0]=4 982 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,1,0,0,0,0|2,0,0]=3 983 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,1,0,0,0,0|2,0,0]=3 984 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,1,0,0,0,0|2,1,0]=4 985 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,1,0,0,0,0|2,1,0]=4 986 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,1,0,0,0,0|3,0,0]=4 987 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,1,0,0,0,0|3,0,0]=4 988 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [0,1,0,0,0,0|3,0,0]=4 989 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [0,1,0,0,0,0|3,0,0]=4 990 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,1,0,0,0,0|2,0,0]=3 991 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,1,0,0,0,0|2,0,0]=3 992 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,1,0,0,0,0|2,1,0]=4 993 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,1,0,0,0,0|2,1,0]=4 994 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,1,0,0,0,0|3,0,0]=4 995 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,1,0,0,0,0|3,0,0]=4 996 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,1,0,0,0,0|3,0,0]=4 997 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,1,0,0,0,0|3,0,0]=4 998 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,1,0,0,0,0|1,0,0]=2 999 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,1,0,0,0,0|1,0,0]=2 1000 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,1,0,0,0,0|1,1,0]=3 1001 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,1,0,0,0,0|1,1,0]=3 1002 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,1,0,0,0,0|3,0,0]=4 1003 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,1,0,0,0,0|3,0,0]=4 1004 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,1,0,0,0,0|2,1,0]=4 1005 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,1,0,0,0,0|2,1,0]=4 1006 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,1,0,0,0,0|3,0,0]=4 1007 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,1,0,0,0,0|3,0,0]=4 1008 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,1,0,0,0,0|0,2,0]=3 1009 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,1,0,0,0,0|0,2,0]=3 1010 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,1,0,0,0,0|2,1,0]=4 1011 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,1,0,0,0,0|2,1,0]=4 1012 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,1,0,0,0,0|2,1,0]=4 1013 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [0,1,0,0,0,0|2,1,0]=4 1014 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,1,0,0,0,0|2,0,0]=3 1015 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,1,0,0,0,0|2,0,0]=3 1016 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,1,0,0,0,0|0,1,0]=2 1017 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,1,0,0,0,0|0,1,0]=2 1018 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_100000743252_200025704644 [0,1,0,0,0,0|3,0,0]=4 1019 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_200025704644_100000743252 [0,1,0,0,0,0|3,0,0]=4 1020 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,1,0,0,0,0|2,0,0]=3 1021 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,1,0,0,0,0|2,0,0]=3 1022 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [0,1,0,0,0,0|2,0,0]=3 1023 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [0,1,0,0,0,0|2,0,0]=3 1024 B9R1.12 [13CH3]SCCn1ccnc1 62a_100000702546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1025 B9R1.12 [13CH3]SCCn1ccnc1 62a_200025704644_100000702546 [0,1,0,0,0,0|3,0,0]=4 1026 B9R1.12 [13CH3]SCCn1cncn1 62a_100000731791_200025704644 [0,1,0,0,0,0|3,0,0]=4 1027 B9R1.12 [13CH3]SCCn1cncn1 62a_200025704644_100000731791 [0,1,0,0,0,0|3,0,0]=4 1028 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,1,0,0,0,0|1,0,1]=3 1029 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,1,0,0,0,0|1,1,1]=4 1030 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,1,0,0,0,0|2,0,1]=4 1031 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,1,0,0,0,0|2,0,1]=4 1032 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,1,0,0,0,0|3,0,0]=4 1033 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,1,0,0,0,0|3,0,0]=4 1034 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,1,0,0,0,0|2,0,0]=3 1035 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,1,0,0,0,0|1,0,0]=2 1036 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,1,0,0,0,0|1,1,0]=3 1037 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,1,0,0,0,0|3,0,0]=4 1038 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,1,0,0,0,0|3,0,0]=4 1039 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,1,0,0,0,0|3,0,0]=4 1040 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,1,0,0,0,0|3,0,0]=4 1041 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,1,0,0,0,0|3,0,0]=4 1042 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,1,0,0,0,0|3,0,0]=4 1043 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,1,0,0,0,0|2,1,0]=4 1044 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,1,0,0,0,0|3,0,0]=4 1045 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,1,0,0,0,0|3,0,0]=4 1046 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,1,0,0,0,0|2,0,0]=3 1047 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,1,0,0,0,0|2,1,0]=4 1048 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,1,0,0,0,0|3,0,0]=4 1049 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,1,0,0,0,0|3,0,0]=4 1050 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,1,0,0,0,0|2,0,0]=3 1051 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,1,0,0,0,0|2,0,0]=3 1052 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,1,0,0,0,0|2,1,0]=4 1053 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,1,0,0,0,0|2,1,0]=4 1054 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [0,1,0,0,0,0|3,0,0]=4 1055 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [0,1,0,0,0,0|3,0,0]=4 1056 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [0,1,0,0,0,0|3,0,0]=4 1057 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [0,1,0,0,0,0|3,0,0]=4 1058 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [0,1,0,0,0,0|3,0,0]=4 1059 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [0,1,0,0,0,0|3,0,0]=4 1060 B9R1.13 CN(C)Cc1cc[nH]n1 270004a_100102631434_100000738523 [0,1,0,0,0,0|3,0,0]=4 1061 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,1,0,0,0,0|1,0,0]=2 1062 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,1,0,0,0,0|1,0,0]=2 1063 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,1,0,0,0,0|1,0,0]=2 1064 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,1,0,0,0,0|1,1,0]=3 1065 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,1,0,0,0,0|1,1,0]=3 1066 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,1,0,0,0,0|1,1,0]=3 1067 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [0,1,0,0,0,0|3,0,0]=4 1068 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [0,1,0,0,0,0|3,0,0]=4 1069 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [0,1,0,0,0,0|3,0,0]=4 1070 B9R1.13 CN(C)Cc1ccon1 2230a_100000757864_200000210301 [0,1,0,0,0,0|3,0,0]=4 1071 B9R1.13 CN(C)Cc1ccon1 2230a_100102631434_100000234950 [0,1,0,0,0,0|3,0,0]=4 1072 B9R1.13 CN(C)Cc1ccon1 269982a_100000757864_200000210301 [0,1,0,0,0,0|3,0,0]=4 1073 B9R1.13 CN(C)Cc1ccon1 269982a_100102631434_100000234950 [0,1,0,0,0,0|3,0,0]=4 1074 B9R1.13 CN(C)Cc1ccsc1 2230a_100020654213_200000210301 [0,1,0,0,0,0|3,0,0]=4 1075 B9R1.13 CN(C)Cc1ccsc1 2230a_100102631434_100011261437 [0,1,0,0,0,0|3,0,0]=4 1076 B9R1.13 CN(C)Cc1ccsc1 269982a_100020654213_200000210301 [0,1,0,0,0,0|3,0,0]=4 1077 B9R1.13 CN(C)Cc1ccsc1 269982a_100102631434_100011233845 [0,1,0,0,0,0|3,0,0]=4 1078 B9R1.13 CN(C)Cc1ccsc1 270004a_100102631434_100000188534 [0,1,0,0,0,0|3,0,0]=4 1079 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,1,0,0,0,0|2,0,0]=3 1080 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [0,1,0,0,0,0|2,1,0]=4 1081 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [0,1,0,0,0,0|2,1,0]=4 1082 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [0,1,0,0,0,0|2,1,0]=4 1083 B9R1.13 CN(C)Cc1cocn1 270004a_100102631434_100000050382 [0,1,0,0,0,0|3,0,0]=4 1084 B9R1.13 CN(C)Cc1cscn1 2230a_100000225794_200000210301 [0,1,0,0,0,0|3,0,0]=4 1085 B9R1.13 CN(C)Cc1cscn1 2230a_100102631434_100000205941 [0,1,0,0,0,0|3,0,0]=4 1086 B9R1.13 CN(C)Cc1cscn1 269982a_100000225794_200000210301 [0,1,0,0,0,0|3,0,0]=4 1087 B9R1.13 CN(C)Cc1cscn1 269982a_100102631434_100000205941 [0,1,0,0,0,0|3,0,0]=4 1088 B9R1.13 CN(C)Cc1cscn1 270004a_100102631434_100000743575 [0,1,0,0,0,0|3,0,0]=4 1089 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [0,1,0,0,0,0|3,0,0]=4 1090 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [0,1,0,0,0,0|3,0,0]=4 1091 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [0,1,0,0,0,0|3,0,0]=4 1092 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [0,1,0,0,0,0|3,0,0]=4 1093 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,1,0,0,0,0|2,0,0]=3 1094 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,1,0,0,0,0|2,0,0]=3 1095 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,1,0,0,0,0|2,0,0]=3 1096 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [0,1,0,0,0,0|2,1,0]=4 1097 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [0,1,0,0,0,0|2,1,0]=4 1098 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [0,1,0,0,0,0|2,1,0]=4 1099 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [0,1,0,0,0,0|2,1,0]=4 1100 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [0,1,0,0,0,0|2,1,0]=4 1101 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,1,0,0,0,0|1,0,0]=2 1102 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,1,0,0,0,0|1,0,0]=2 1103 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,1,0,0,0,0|1,1,0]=3 1104 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,1,0,0,0,0|1,1,0]=3 1105 B9R1.13 CN([13CH3])Cc1ccon1 2230a_100000757864_200025704644 [0,1,0,0,0,0|3,0,0]=4 1106 B9R1.13 CN([13CH3])Cc1ccon1 269982a_100000757864_200025704644 [0,1,0,0,0,0|3,0,0]=4 1107 B9R1.13 CN([13CH3])Cc1ccsc1 2230a_100020654213_200025704644 [0,1,0,0,0,0|3,0,0]=4 1108 B9R1.13 CN([13CH3])Cc1ccsc1 269982a_100020654213_200025704644 [0,1,0,0,0,0|3,0,0]=4 1109 B9R1.13 CN([13CH3])Cc1cscn1 2230a_100000225794_200025704644 [0,1,0,0,0,0|3,0,0]=4 1110 B9R1.13 CN([13CH3])Cc1cscn1 269982a_100000225794_200025704644 [0,1,0,0,0,0|3,0,0]=4 1111 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [0,1,0,0,0,0|3,0,0]=4 1112 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [0,1,0,0,0,0|3,0,0]=4 1113 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [0,1,0,0,0,0|2,1,0]=4 1114 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [0,1,0,0,0,0|2,1,0]=4 1115 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,1,0,0,0,0|3,0,0]=4 1116 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,1,0,0,0,0|2,0,0]=3 1117 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,1,0,0,0,0|1,0,0]=2 1118 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,1,0,0,0,0|1,1,0]=3 1119 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,1,0,0,0,0|3,0,0]=4 1120 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,1,0,0,0,0|3,0,0]=4 1121 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,1,0,0,0,0|3,0,0]=4 1122 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,1,0,0,0,0|3,0,0]=4 1123 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,1,0,0,0,0|3,0,0]=4 1124 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,1,0,0,0,0|3,0,0]=4 1125 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [0,1,0,0,0,0|1,1,1]=4 1126 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,1,0,0,0,0|1,1,1]=4 1127 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,1,0,0,0,0|2,1,0]=4 1128 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,1,0,0,0,0|2,1,0]=4 1129 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,1,0,0,0,0|2,1,0]=4 1130 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,1,0,0,0,0|2,1,0]=4 1131 B9R1.33 CNCc1[nH]ncc1Br 207a_100102657272_100000732679 [0,1,0,0,0,0|3,0,0]=4 1132 B9R1.33 CNCc1[nH]ncc1Br 270004a_106832991635_100000732679 [0,1,0,0,0,0|3,0,0]=4 1133 B9R1.33 CNCc1[nH]ncc1C 207a_100102657272_100000708485 [0,1,0,0,0,0|3,0,0]=4 1134 B9R1.33 CNCc1[nH]ncc1C 270004a_106832991635_100000708485 [0,1,0,0,0,0|3,0,0]=4 1135 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,1,0,0,0,0|2,0,0]=3 1136 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,1,0,0,0,0|2,0,0]=3 1137 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [0,1,0,0,0,0|3,0,0]=4 1138 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [0,1,0,0,0,0|3,0,0]=4 1139 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [0,1,0,0,0,0|3,0,0]=4 1140 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [0,1,0,0,0,0|3,0,0]=4 1141 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [0,1,0,0,0,0|3,0,0]=4 1142 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [0,1,0,0,0,0|3,0,0]=4 1143 B9R1.33 CNCc1ccsc1Br 207a_100102657272_100009816921 [0,1,0,0,0,0|3,0,0]=4 1144 B9R1.33 CNCc1ccsc1Br 2230a_100000727803_200000210301 [0,1,0,0,0,0|3,0,0]=4 1145 B9R1.33 CNCc1ccsc1Br 2230a_106832991635_100009814289 [0,1,0,0,0,0|3,0,0]=4 1146 B9R1.33 CNCc1ccsc1Br 270004a_106832991635_100009816921 [0,1,0,0,0,0|3,0,0]=4 1147 B9R1.33 CNCc1ccsc1Br 34a_100000727803_200000210301 [0,1,0,0,0,0|3,0,0]=4 1148 B9R1.33 CNCc1ccsc1Br 34a_100102657272_100009814289 [0,1,0,0,0,0|3,0,0]=4 1149 B9R1.33 CNCc1ccsc1Br 7a_106832991635_100009814289 [0,1,0,0,0,0|3,0,0]=4 1150 B9R1.33 CNCc1ccsc1Cl 207a_100102657272_100000089901 [0,1,0,0,0,0|3,0,0]=4 1151 B9R1.33 CNCc1ccsc1Cl 2230a_106832991635_100010167017 [0,1,0,0,0,0|3,0,0]=4 1152 B9R1.33 CNCc1ccsc1Cl 270004a_106832991635_100000089901 [0,1,0,0,0,0|3,0,0]=4 1153 B9R1.33 CNCc1ccsc1Cl 34a_100102657272_100010167017 [0,1,0,0,0,0|3,0,0]=4 1154 B9R1.33 CNCc1ccsc1Cl 7a_106832991635_100010167017 [0,1,0,0,0,0|3,0,0]=4 1155 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [0,1,0,0,0,0|3,0,0]=4 1156 B9R1.33 CNCc1cncn1C 207a_100102657272_100000750899 [0,1,0,0,0,0|3,0,0]=4 1157 B9R1.33 CNCc1cncn1C 270004a_106832991635_100000750899 [0,1,0,0,0,0|3,0,0]=4 1158 B9R1.33 CNCc1cscc1Br 207a_100102657272_100000685484 [0,1,0,0,0,0|3,0,0]=4 1159 B9R1.33 CNCc1cscc1Br 270004a_106832991635_100000685484 [0,1,0,0,0,0|3,0,0]=4 1160 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [0,1,0,0,0,0|3,0,0]=4 1161 B9R1.33 CNCc1n[nH]cc1Cl 207a_100102657272_100000040271 [0,1,0,0,0,0|3,0,0]=4 1162 B9R1.33 CNCc1n[nH]cc1Cl 270004a_106832991635_100000040271 [0,1,0,0,0,0|3,0,0]=4 1163 B9R1.33 CNCc1nc[nH]c1C 207a_100102657272_100000032982 [0,1,0,0,0,0|3,0,0]=4 1164 B9R1.33 CNCc1nc[nH]c1C 2230a_106832991635_100000751220 [0,1,0,0,0,0|3,0,0]=4 1165 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [0,1,0,0,0,0|3,0,0]=4 1166 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [0,1,0,0,0,0|3,0,0]=4 1167 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [0,1,0,0,0,0|3,0,0]=4 1168 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [0,1,0,0,0,0|3,0,0]=4 1169 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [0,1,0,0,0,0|3,0,0]=4 1170 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [0,1,0,0,0,0|3,0,0]=4 1171 B9R1.33 CNCc1ncoc1C 2230a_106832991635_200000693990 [0,1,0,0,0,0|3,0,0]=4 1172 B9R1.33 CNCc1ncoc1C 34a_100102657272_200000693990 [0,1,0,0,0,0|3,0,0]=4 1173 B9R1.33 CNCc1ncoc1C 7a_106832991635_200000693990 [0,1,0,0,0,0|3,0,0]=4 1174 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [0,1,0,0,0,0|1,0,0]=2 1175 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,1,0,0,0,0|1,0,0]=2 1176 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,1,0,0,0,0|1,0,0]=2 1177 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,1,0,0,0,0|1,1,0]=3 1178 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,1,0,0,0,0|1,1,0]=3 1179 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,1,0,0,0,0|1,1,0]=3 1180 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,1,0,0,0,0|1,1,0]=3 1181 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,1,0,0,0,0|1,1,0]=3 1182 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,1,0,0,0,0|1,1,0]=3 1183 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,1,0,0,0,0|1,1,0]=3 1184 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,1,0,0,0,0|1,1,0]=3 1185 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,1,0,0,0,0|1,1,0]=3 1186 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,1,0,0,0,0|1,1,0]=3 1187 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,1,0,0,0,0|1,1,0]=3 1188 B9R1.33 CNCc1scnc1C 207a_100102657272_100000764165 [0,1,0,0,0,0|2,1,0]=4 1189 B9R1.33 CNCc1scnc1C 2230a_100000752186_200000210301 [0,1,0,0,0,0|2,1,0]=4 1190 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,1,0,0,0,0|2,1,0]=4 1191 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,1,0,0,0,0|2,1,0]=4 1192 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,1,0,0,0,0|2,1,0]=4 1193 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,1,0,0,0,0|2,1,0]=4 1194 B9R1.33 COCc1ccsc1Br 34a_100009816922_200000210301 [0,1,0,0,0,0|2,1,0]=4 1195 B9R1.33 COCc1ccsc1Br 34a_100138415774_100009814289 [0,1,0,0,0,0|2,1,0]=4 1196 B9R1.33 COCc1ccsc1Br 7a_100009816922_200000210301 [0,1,0,0,0,0|2,1,0]=4 1197 B9R1.33 COCc1ccsc1Cl 34a_100138415774_100010167017 [0,1,0,0,0,0|2,1,0]=4 1198 B9R1.33 COCc1cscc1Br 34a_100000724555_200000210301 [0,1,0,0,0,0|2,1,0]=4 1199 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [0,1,0,0,0,0|2,1,0]=4 1200 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [0,1,0,0,0,0|2,1,0]=4 1201 B9R1.33 COCc1ncoc1C 34a_100012017639_200000210301 [0,1,0,0,0,0|2,1,0]=4 1202 B9R1.33 COCc1ncoc1C 34a_100138415774_200000693990 [0,1,0,0,0,0|2,1,0]=4 1203 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,1,0,0,0,0|0,1,0]=2 1204 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,1,0,0,0,0|0,1,0]=2 1205 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [0,1,0,0,0,0|1,1,0]=3 1206 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [0,1,0,0,0,0|1,1,0]=3 1207 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [0,1,0,0,0,0|1,1,0]=3 1208 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,1,0,0,0,0|0,2,0]=3 1209 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,1,0,0,0,0|0,2,0]=3 1210 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,1,0,0,0,0|0,2,0]=3 1211 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,1,0,0,0,0|0,2,0]=3 1212 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,1,0,0,0,0|0,2,0]=3 1213 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [0,1,0,0,0,0|1,2,0]=4 1214 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [0,1,0,0,0,0|1,2,0]=4 1215 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [0,1,0,0,0,0|1,2,0]=4 1216 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,1,0,0,0,0|2,0,0]=3 1217 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,1,0,0,0,0|2,0,0]=3 1218 B9R1.33 CSCc1ccsc1Br 62a_100009814289_200000210301 [0,1,0,0,0,0|2,0,0]=3 1219 B9R1.33 CSCc1ccsc1Br 62a_200000210301_100009814289 [0,1,0,0,0,0|2,0,0]=3 1220 B9R1.33 CSCc1ccsc1Cl 62a_100010167017_200000210301 [0,1,0,0,0,0|2,0,0]=3 1221 B9R1.33 CSCc1ccsc1Cl 62a_200000210301_100010167017 [0,1,0,0,0,0|2,0,0]=3 1222 B9R1.33 CSCc1nc[nH]c1C 62a_100000751220_200000210301 [0,1,0,0,0,0|2,0,0]=3 1223 B9R1.33 CSCc1nc[nH]c1C 62a_200000210301_100000751220 [0,1,0,0,0,0|2,0,0]=3 1224 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [0,1,0,0,0,0|2,0,0]=3 1225 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [0,1,0,0,0,0|2,0,0]=3 1226 B9R1.33 CSCc1ncoc1C 62a_200000210301_200000693990 [0,1,0,0,0,0|2,0,0]=3 1227 B9R1.33 CSCc1ncoc1C 62a_200000693990_200000210301 [0,1,0,0,0,0|2,0,0]=3 1228 B9R1.33 CSCc1nnsc1Cl 62a_200000210301_100000018852 [0,1,0,0,0,0|3,0,0]=4 1229 B9R1.33 CSCc1nonc1C 62a_200000044682_200000210301 [0,1,0,0,0,0|3,0,0]=4 1230 B9R1.33 CSCc1nonc1C 62a_200000210301_200000044682 [0,1,0,0,0,0|3,0,0]=4 1231 B9R1.33 CSCc1snnc1C 62a_100000732739_200000210301 [0,1,0,0,0,0|2,1,0]=4 1232 B9R1.33 CSCc1snnc1C 62a_200000210301_100000732739 [0,1,0,0,0,0|2,1,0]=4 1233 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_100000751220_200025704644 [0,1,0,0,0,0|2,0,0]=3 1234 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_200025704644_100000751220 [0,1,0,0,0,0|2,0,0]=3 1235 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,1,0,0,0,0|0,1,0]=2 1236 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,1,0,0,0,0|0,1,0]=2 1237 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,1,0,0,0,0|1,1,0]=3 1238 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,1,0,0,0,0|1,1,0]=3 1239 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,1,0,0,0,0|0,2,0]=3 1240 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,1,0,0,0,0|0,2,0]=3 1241 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [0,1,0,0,0,0|1,1,0]=3 1242 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [0,1,0,0,0,0|1,1,0]=3 1243 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [0,1,0,0,0,0|1,1,0]=3 1244 B9R1.33 Cc1ncsc1CN[13CH3] 2230a_100000752186_200025704644 [0,1,0,0,0,0|2,1,0]=4 1245 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [0,1,0,0,0,0|1,2,0]=4 1246 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [0,1,0,0,0,0|1,2,0]=4 1247 B9R1.33 Cc1nnsc1CS[13CH3] 62a_100000732739_200025704644 [0,1,0,0,0,0|2,1,0]=4 1248 B9R1.33 Cc1nnsc1CS[13CH3] 62a_200025704644_100000732739 [0,1,0,0,0,0|2,1,0]=4 1249 B9R1.33 Cc1nonc1CS[13CH3] 62a_200000044682_200025704644 [0,1,0,0,0,0|3,0,0]=4 1250 B9R1.33 Cc1nonc1CS[13CH3] 62a_200025704644_200000044682 [0,1,0,0,0,0|3,0,0]=4 1251 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,1,0,0,0,0|2,1,0]=4 1252 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,1,0,0,0,0|2,1,0]=4 1253 B9R1.33 Cc1ocnc1CO[13CH3] 34a_100012017639_200025704644 [0,1,0,0,0,0|2,1,0]=4 1254 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200000693990_200025704644 [0,1,0,0,0,0|2,0,0]=3 1255 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200025704644_200000693990 [0,1,0,0,0,0|2,0,0]=3 1256 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,1,0,0,0,0|2,0,0]=3 1257 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [0,1,0,0,0,0|3,0,0]=4 1258 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [0,1,0,0,0,0|2,1,0]=4 1259 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [0,1,0,0,0,0|2,0,0]=3 1260 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [0,1,0,0,0,0|2,0,0]=3 1261 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [0,1,0,0,0,0|3,0,0]=4 1262 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,1,0,0,0,0|2,1,0]=4 1263 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,1,0,0,0,0|2,0,0]=3 1264 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,1,0,0,0,0|2,0,0]=3 1265 B9R1.33 [13CH3]NCc1ccsc1Br 2230a_100000727803_200025704644 [0,1,0,0,0,0|3,0,0]=4 1266 B9R1.33 [13CH3]NCc1ccsc1Br 34a_100000727803_200025704644 [0,1,0,0,0,0|3,0,0]=4 1267 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,1,0,0,0,0|1,1,0]=3 1268 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,1,0,0,0,0|1,1,0]=3 1269 B9R1.33 [13CH3]OCc1ccsc1Br 34a_100009816922_200025704644 [0,1,0,0,0,0|2,1,0]=4 1270 B9R1.33 [13CH3]OCc1ccsc1Br 7a_100009816922_200025704644 [0,1,0,0,0,0|2,1,0]=4 1271 B9R1.33 [13CH3]OCc1cscc1Br 34a_100000724555_200025704644 [0,1,0,0,0,0|2,1,0]=4 1272 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,1,0,0,0,0|0,2,0]=3 1273 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,1,0,0,0,0|0,2,0]=3 1274 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,1,0,0,0,0|0,2,0]=3 1275 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [0,1,0,0,0,0|1,2,0]=4 1276 B9R1.33 [13CH3]SCc1ccsc1Br 62a_100009814289_200025704644 [0,1,0,0,0,0|2,0,0]=3 1277 B9R1.33 [13CH3]SCc1ccsc1Br 62a_200025704644_100009814289 [0,1,0,0,0,0|2,0,0]=3 1278 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_100010167017_200025704644 [0,1,0,0,0,0|2,0,0]=3 1279 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_200025704644_100010167017 [0,1,0,0,0,0|2,0,0]=3 1280 B9R1.33 [13CH3]SCc1nnsc1Cl 62a_200025704644_100000018852 [0,1,0,0,0,0|3,0,0]=4 1281 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,0,1,0,0,0|1,1,0]=3 1282 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,0,1,0,0,0|1,1,0]=3 1283 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,0,1,0,0,0|2,0,1]=4 1284 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,0,1,0,0,0|2,0,1]=4 1285 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,0,1,0,0,0|2,0,1]=4 1286 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,0,1,0,0,0|1,0,2]=4 1287 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,0,1,0,0,0|1,0,2]=4 1288 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,0,1,0,0,0|1,0,2]=4 1289 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,0,1,0,0,0|1,0,2]=4 1290 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,0,1,0,0,0|2,0,1]=4 1291 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,0,1,0,0,0|2,0,1]=4 1292 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,0,1,0,0,0|2,0,1]=4 1293 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,0,1,0,0,0|2,0,1]=4 1294 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,0,1,0,0,0|1,0,2]=4 1295 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,0,1,0,0,0|1,0,2]=4 1296 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,0,1,0,0,0|1,0,2]=4 1297 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,0,1,0,0,0|1,0,2]=4 1298 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,0,1,0,0,0|1,0,2]=4 1299 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,0,1,0,0,0|0,1,2]=4 1300 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,0,1,0,0,0|0,1,2]=4 1301 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,0,1,0,0,0|0,1,2]=4 1302 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,0,1,0,0,0|0,1,2]=4 1303 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,0,1,0,0,0|0,1,2]=4 1304 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,0,1,0,0,0|0,1,2]=4 1305 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,0,1,0,0,0|0,0,2]=3 1306 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,0,1,0,0,0|0,0,2]=3 1307 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,0,1,0,0,0|0,0,2]=3 1308 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,0,1,0,0,0|0,1,2]=4 1309 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,0,1,0,0,0|0,1,2]=4 1310 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,0,1,0,0,0|1,0,2]=4 1311 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,0,1,0,0,0|1,0,2]=4 1312 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,0,1,0,0,0|1,0,2]=4 1313 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,0,1,0,0,0|1,0,2]=4 1314 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,0,1,0,0,0|2,0,1]=4 1315 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,0,1,0,0,0|2,0,1]=4 1316 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,0,1,0,0,0|1,0,2]=4 1317 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,0,1,0,0,0|1,0,2]=4 1318 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,1,0,0,0|1,0,2]=4 1319 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,1,0,0,0|1,0,2]=4 1320 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,0,1,0,0,0|0,1,2]=4 1321 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,0,1,0,0,0|0,0,2]=3 1322 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,0,1,0,0,0|2,0,1]=4 1323 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,0,1,0,0,0|2,0,1]=4 1324 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,0,1,0,0,0|2,0,0]=3 1325 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,0,1,0,0,0|2,0,0]=3 1326 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,0,1,0,0,0|1,1,0]=3 1327 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,0,1,0,0,0|1,0,0]=2 1328 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,0,1,0,0,0|1,0,0]=2 1329 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,0,1,0,0,0|1,0,0]=2 1330 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,0,1,0,0,0|1,0,0]=2 1331 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,1,0,0,0|1,0,2]=4 1332 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,1,0,0,0|2,0,1]=4 1333 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,1,0,0,0|2,0,1]=4 1334 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,1,0,0,0|2,0,1]=4 1335 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,1,0,0,0|1,0,2]=4 1336 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,1,0,0,0|1,0,2]=4 1337 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,1,0,0,0|1,0,2]=4 1338 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,1,0,0,0|1,0,2]=4 1339 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,0,1,0,0,0|1,0,2]=4 1340 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,0,1,0,0,0|1,0,2]=4 1341 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,0,1,0,0,0|1,0,2]=4 1342 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,0,1,0,0,0|1,0,2]=4 1343 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [0,0,0,1,0,0|3,0,0]=4 1344 B9R2.2 c1cc(co1)C2CC2 271570a_100011220607_100011215275 [0,0,0,1,0,0|3,0,0]=4 1345 B9R2.2 c1cc(cs1)C2CC2 271570a_100011220607_100000738268 [0,0,0,1,0,0|3,0,0]=4 1346 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [0,0,0,1,0,0|3,0,0]=4 1347 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [0,0,0,1,0,0|3,0,0]=4 1348 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,0,0,1,0,0|1,0,0]=2 1349 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [0,0,0,1,0,0|2,0,0]=3 1350 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,1,0,0|1,1,0]=3 1351 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [0,0,0,1,0,0|2,1,0]=4 1352 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [0,0,0,1,0,0|3,0,0]=4 1353 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [0,0,0,1,0,0|3,0,0]=4 1354 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [0,0,0,1,0,0|2,0,0]=3 1355 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [0,0,0,1,0,0|2,1,0]=4 1356 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,0,1,0|0,0,3]=4 1357 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,0,1,0|0,0,3]=4 1358 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,0,1,0|0,0,3]=4 1359 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,0,1,0|0,0,3]=4 1360 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [0,0,0,0,0,1|2,0,1]=4 1361 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [0,0,0,0,0,1|2,0,1]=4 1362 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [0,0,0,0,0,1|2,0,1]=4 1363 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [0,0,0,0,0,1|2,0,1]=4 1364 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [0,0,0,0,0,1|2,0,1]=4 1365 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [0,0,0,0,0,1|2,0,1]=4 1366 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [0,0,0,0,0,1|2,0,1]=4 1367 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [0,0,0,0,0,1|2,0,1]=4 1368 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [0,0,0,0,0,1|3,0,0]=4 1369 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,0,0,0,0,1|3,0,0]=4 1370 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,0,0,0,0,1|3,0,0]=4 1371 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,0,0,0,0,1|3,0,0]=4 1372 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [0,0,0,0,0,1|3,0,0]=4 1373 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,0,0,0,0,1|3,0,0]=4 1374 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,0,0,0,0,1|3,0,0]=4 1375 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 1376 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 1377 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,0,0,0,0,1|3,0,0]=4 1378 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [0,0,0,0,0,1|3,0,0]=4 1379 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [0,0,0,0,0,1|3,0,0]=4 1380 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [0,0,0,0,0,1|3,0,0]=4 1381 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [0,0,0,0,0,1|3,0,0]=4 1382 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,0,0,0,0,1|3,0,0]=4 1383 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,0,0,0,0,1|3,0,0]=4 1384 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [0,0,0,0,0,1|3,0,0]=4 1385 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [0,0,0,0,0,1|3,0,0]=4 1386 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,0,0,0,0,1|3,0,0]=4 1387 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,0,0,0,0,1|3,0,0]=4 1388 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,0,0,0,0,1|3,0,0]=4 1389 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,0,0,0,0,1|3,0,0]=4 1390 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,0,0,0,0,1|3,0,0]=4 1391 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,0,0,0,0,1|3,0,0]=4 1392 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [0,0,0,0,0,1|3,0,0]=4 1393 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [0,0,0,0,0,1|3,0,0]=4 1394 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [0,0,0,0,0,1|2,0,0]=3 1395 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [0,0,0,0,0,1|2,0,0]=3 1396 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [0,0,0,0,0,1|2,0,0]=3 1397 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [0,0,0,0,0,1|2,0,0]=3 1398 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [0,0,0,0,0,1|2,0,0]=3 1399 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [0,0,0,0,0,1|2,0,0]=3 1400 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [0,0,0,0,0,1|2,0,0]=3 1401 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [0,0,0,0,0,1|2,0,0]=3 1402 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [0,0,0,0,0,1|2,0,0]=3 1403 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [0,0,0,0,0,1|2,0,0]=3 1404 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [0,0,0,0,0,1|2,0,0]=3 1405 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [0,0,0,0,0,1|2,0,0]=3 1406 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,0,0,0,0,1|2,0,0]=3 1407 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,0,0,0,0,1|2,0,0]=3 1408 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,0,0,0,0,1|2,0,0]=3 1409 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,0,0,0,0,1|2,0,0]=3 1410 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,0,0,0,0,1|2,0,0]=3 1411 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [0,0,0,0,0,1|2,0,0]=3 1412 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [0,0,0,0,0,1|2,0,0]=3 1413 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [0,0,0,0,0,1|2,0,0]=3 1414 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [0,0,0,0,0,1|2,0,0]=3 1415 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,0,0,0,0,1|2,0,0]=3 1416 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,0,0,0,0,1|2,0,0]=3 1417 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,0,0,0,0,1|2,0,0]=3 1418 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [0,0,0,0,0,1|3,0,0]=4 1419 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,0,0,0,0,1|2,0,0]=3 1420 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,0,0,0,0,1|2,0,0]=3 1421 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,0,0,0,0,1|2,0,0]=3 1422 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,0,0,0,0,1|2,0,0]=3 1423 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [0,0,0,0,0,1|3,0,0]=4 1424 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [0,0,0,0,0,1|3,0,0]=4 1425 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [0,0,0,0,0,1|3,0,0]=4 1426 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [0,0,0,0,0,1|3,0,0]=4 1427 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [0,0,0,0,0,1|3,0,0]=4 1428 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [0,0,0,0,0,1|2,0,0]=3 1429 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [0,0,0,0,0,1|2,0,0]=3 1430 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [0,0,0,0,0,1|2,0,0]=3 1431 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [0,0,0,0,0,1|2,0,0]=3 1432 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,0,0,0,0,1|0,1,2]=4 1433 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [0,0,0,0,0,1|1,1,0]=3 1434 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [0,0,0,0,0,1|1,1,0]=3 1435 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [0,0,0,0,0,1|1,1,0]=3 1436 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [0,0,0,0,0,1|1,1,0]=3 1437 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,0,0,0,0,1|1,1,0]=3 1438 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,0,0,0,0,1|1,1,0]=3 1439 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,0,0,0,0,1|1,1,0]=3 1440 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [0,0,0,0,0,1|2,1,0]=4 1441 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [0,0,0,0,0,1|1,1,0]=3 1442 B9R1.8 CSCN1CC=CCC1 2230a_100000698166_100011218213 [0,0,0,0,0,1|2,0,1]=4 1443 B9R1.8 CSCN1CC=CCC1 269982a_100000698166_100011218213 [0,0,0,0,0,1|2,0,1]=4 1444 B9R1.8 CSCN1CC=CCC1 34a_100000698166_100011218213 [0,0,0,0,0,1|2,0,1]=4 1445 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [0,0,0,0,0,1|1,0,0]=2 1446 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [0,0,0,0,0,1|1,0,0]=2 1447 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [0,0,0,0,0,1|1,0,0]=2 1448 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [0,0,0,0,0,1|1,0,0]=2 1449 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,0,0,0,0,1|1,0,0]=2 1450 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,0,0,0,0,1|1,0,0]=2 1451 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [0,0,0,0,0,1|1,0,0]=2 1452 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [0,0,0,0,0,1|1,0,0]=2 1453 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,0,0,0,0,1|1,0,0]=2 1454 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,0,0,0,0,1|1,0,0]=2 1455 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,0,0,0,0,1|1,0,0]=2 1456 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,0,0,0,0,1|1,0,0]=2 1457 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [0,0,0,0,0,1|2,0,0]=3 1458 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [0,0,0,0,0,1|2,0,0]=3 1459 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [0,0,0,0,0,1|1,0,0]=2 1460 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [0,0,0,0,0,1|1,0,0]=2 1461 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [0,0,0,0,0,1|2,0,0]=3 1462 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [0,0,0,0,0,1|2,0,0]=3 1463 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [0,0,0,0,0,1|2,0,0]=3 1464 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [0,0,0,0,0,1|3,0,0]=4 1465 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,0,0,0,0,1|0,1,2]=4 1466 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [0,0,0,0,0,1|1,1,0]=3 1467 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [0,0,0,0,0,1|1,1,0]=3 1468 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [0,0,0,0,0,1|1,0,0]=2 1469 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [0,0,0,0,0,1|1,0,0]=2 1470 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [0,0,0,0,0,1|1,0,0]=2 1471 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [0,0,0,0,0,1|1,0,0]=2 1472 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,0,0,0,0,1|1,0,0]=2 1473 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,0,0,0,0,1|1,0,0]=2 1474 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [0,0,0,0,0,1|1,0,0]=2 1475 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [0,0,0,0,0,1|1,0,0]=2 1476 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,0,0,0,0,1|1,0,0]=2 1477 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,0,0,0,0,1|1,0,0]=2 1478 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,0,0,0,0,1|1,0,0]=2 1479 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,0,0,0,0,1|1,0,0]=2 1480 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [0,0,0,0,0,1|2,0,0]=3 1481 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [0,0,0,0,0,1|2,0,0]=3 1482 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [0,0,0,0,0,1|1,0,0]=2 1483 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [0,0,0,0,0,1|1,0,0]=2 1484 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,1,0,0,0|0,0,2]=4 1485 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,1,0,0,0|0,0,2]=4 1486 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,1,0,0,0|0,0,2]=4 1487 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,1,0,0,0|0,0,2]=4 1488 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,1,0,0,0|1,0,1]=4 1489 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,1,0,0,0|0,0,2]=4 1490 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,1,0,0,0|0,0,2]=4 1491 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,1,0,0,0|0,0,1]=3 1492 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,1,0,0,0|0,1,1]=4 1493 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,1,0,0,0|0,1,1]=4 1494 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,0,1,0,0,0|1,0,1]=4 1495 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,0,1,0,0,0|1,0,1]=4 1496 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,0,1,0,0,0|1,0,1]=4 1497 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,0,1,0,0,0|0,1,1]=4 1498 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,0,1,0,0,0|0,1,1]=4 1499 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,0,1,0,0,0|0,1,1]=4 1500 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,1,0,0,0|0,0,1]=3 1501 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,1,0,0,0|0,0,1]=3 1502 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,1,0,0,0|0,0,1]=3 1503 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,1,0,0,0|0,0,1]=3 1504 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,1,0,0,0|0,0,2]=4 1505 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,1,0,0,0|0,0,2]=4 1506 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,1,0,0,0|0,0,2]=4 1507 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,1,0,0,0|0,0,2]=4 1508 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [1,0,1,0,0,0|1,0,1]=4 1509 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [1,0,1,0,0,0|1,0,1]=4 1510 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|1,0,1]=4 1511 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,0,1,0,0,0|1,0,1]=4 1512 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,0,1,0,0,0|1,0,1]=4 1513 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,0,1,0,0,0|1,0,1]=4 1514 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,0,1,0,0,0|0,1,1]=4 1515 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,1,0,0,0|0,0,1]=3 1516 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,1,0,0,0|0,0,1]=3 1517 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,1,0,0,0|0,0,1]=3 1518 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,1,0,0,0|0,0,1]=3 1519 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|0,0,2]=4 1520 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|0,0,2]=4 1521 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,0,2]=4 1522 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|1,0,1]=4 1523 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|1,0,1]=4 1524 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|1,0,1]=4 1525 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,1,0,0,0|1,0,1]=4 1526 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,1,0,0,0|1,0,1]=4 1527 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,1,0,0,0|1,0,1]=4 1528 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,1,0,0,0|1,0,1]=4 1529 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,0,1,0,0,0|0,0,2]=4 1530 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,0,1,0,0,0|0,0,2]=4 1531 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,0,1,0,0,0|0,0,2]=4 1532 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,0,1,0,0,0|0,0,2]=4 1533 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|0,1,0]=3 1534 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|0,2,0]=4 1535 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [2,0,0,0,0,0|1,1,0]=4 1536 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [2,0,0,0,0,0|1,1,0]=4 1537 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,1,0,0,0|1,0,1]=4 1538 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,1,1,0,0,0|2,0,0]=4 1539 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,1,0,0,0|1,0,1]=4 1540 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,1,1,0,0,0|1,0,1]=4 1541 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,1,1,0,0,0|1,0,1]=4 1542 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,1,1,0,0,0|1,0,1]=4 1543 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,1,1,0,0,0|1,0,1]=4 1544 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,1,1,0,0,0|1,0,1]=4 1545 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,1,1,0,0,0|1,0,1]=4 1546 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,1,1,0,0,0|1,0,1]=4 1547 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,1,0,0,0|1,0,1]=4 1548 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,1,0,0,0|1,0,1]=4 1549 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,1,0,0,0|1,0,1]=4 1550 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,1,0,0,0|0,1,1]=4 1551 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,1,0,0,0|0,0,1]=3 1552 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,1,0,0,0|0,0,1]=3 1553 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,1,0,0,0|0,0,1]=3 1554 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,1,0,0,0|0,0,1]=3 1555 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,1,0,0,0|1,0,1]=4 1556 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,1,0,0,0|1,0,1]=4 1557 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,1,0,0,0|1,0,1]=4 1558 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,1,0,0,0|1,0,1]=4 1559 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,1,0,0,0|1,0,1]=4 1560 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,1,1,0,0,0|1,1,0]=4 1561 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,1,1,0,0,0|1,1,0]=4 1562 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [0,1,1,0,0,0|0,0,2]=4 1563 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [0,1,1,0,0,0|0,0,2]=4 1564 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [0,1,1,0,0,0|0,0,2]=4 1565 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,1,1,0,0,0|0,0,2]=4 1566 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,1,1,0,0,0|0,0,2]=4 1567 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,1,1,0,0,0|0,0,2]=4 1568 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,1,1,0,0,0|0,0,2]=4 1569 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,1,1,0,0,0|0,0,2]=4 1570 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,1,1,0,0,0|0,0,2]=4 1571 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,1,1,0,0,0|0,0,2]=4 1572 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,1,1,0,0,0|0,0,2]=4 1573 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [0,1,1,0,0,0|0,0,2]=4 1574 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [0,1,1,0,0,0|0,0,2]=4 1575 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,1,1,0,0,0|1,0,1]=4 1576 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,1,1,0,0,0|1,0,1]=4 1577 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,1,1,0,0,0|1,0,1]=4 1578 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,1,1,0,0,0|1,0,1]=4 1579 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,1,1,0,0,0|1,0,1]=4 1580 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,1,0,0,0|0,1,1]=4 1581 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,1,1,0,0,0|0,0,1]=3 1582 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,1,1,0,0,0|0,0,1]=3 1583 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,1,1,0,0,0|0,0,1]=3 1584 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,1,1,0,0,0|0,0,1]=3 1585 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [0,1,1,0,0,0|0,0,2]=4 1586 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,1,0,0,0|2,0,0]=4 1587 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,1,0,0,0|2,0,0]=4 1588 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,1,0,0,0|2,0,0]=4 1589 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,1,0,0,0|2,0,0]=4 1590 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,1,1,0,0,0|0,0,2]=4 1591 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,1,1,0,0,0|0,0,2]=4 1592 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,1,1,0,0,0|0,0,2]=4 1593 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,1,1,0,0,0|0,0,2]=4 1594 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,1,1,0,0,0|0,0,2]=4 1595 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,1,1,0,0,0|0,0,2]=4 1596 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,1,1,0,0,0|0,0,2]=4 1597 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,1,0,0,0|0,0,2]=4 1598 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,1,1,0,0,0|0,0,2]=4 1599 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,1,1,0,0,0|2,0,0]=4 1600 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,1,1,0,0,0|2,0,0]=4 1601 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,1,1,0,0,0|2,0,0]=4 1602 B8R0.11 C=CC(C=C)OCSC 34a_100000033096_100011218213 [0,1,1,0,0,0|1,0,1]=4 1603 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,1,0,0,0,0|0,1,0]=3 1604 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,1,0,0,0,0|0,1,0]=3 1605 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [1,1,0,0,0,0|2,0,0]=4 1606 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [1,1,0,0,0,0|2,0,0]=4 1607 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [1,1,0,0,0,0|2,0,0]=4 1608 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [1,1,0,0,0,0|2,0,0]=4 1609 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [1,1,0,0,0,0|2,0,0]=4 1610 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [1,1,0,0,0,0|2,0,0]=4 1611 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [1,1,0,0,0,0|2,0,0]=4 1612 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [1,1,0,0,0,0|2,0,0]=4 1613 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1614 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [1,1,0,0,0,0|2,0,0]=4 1615 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [1,1,0,0,0,0|0,1,0]=3 1616 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [1,1,0,0,0,0|0,1,0]=3 1617 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [1,1,0,0,0,0|0,1,0]=3 1618 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [1,1,0,0,0,0|2,0,0]=4 1619 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [1,1,0,0,0,0|2,0,0]=4 1620 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [1,1,0,0,0,0|1,1,0]=4 1621 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [1,1,0,0,0,0|1,1,0]=4 1622 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [1,1,0,0,0,0|2,0,0]=4 1623 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [1,1,0,0,0,0|2,0,0]=4 1624 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [1,1,0,0,0,0|0,1,0]=3 1625 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [1,1,0,0,0,0|0,1,0]=3 1626 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,1,0,0,0,0|0,1,0]=3 1627 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,1,0,0,0,0|0,1,0]=3 1628 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1629 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [1,1,0,0,0,0|2,0,0]=4 1630 B8R1.1 CSc1cn(cn1)C 62a_100000040308_200000210301 [1,1,0,0,0,0|2,0,0]=4 1631 B8R1.1 CSc1cn(cn1)C 62a_200000210301_100000040308 [1,1,0,0,0,0|2,0,0]=4 1632 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [1,1,0,0,0,0|1,1,0]=4 1633 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [1,1,0,0,0,0|1,1,0]=4 1634 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [1,1,0,0,0,0|1,1,0]=4 1635 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [1,1,0,0,0,0|1,1,0]=4 1636 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [1,1,0,0,0,0|1,1,0]=4 1637 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [1,1,0,0,0,0|1,1,0]=4 1638 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [1,1,0,0,0,0|2,0,0]=4 1639 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [1,1,0,0,0,0|2,0,0]=4 1640 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1641 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [1,1,0,0,0,0|2,0,0]=4 1642 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1643 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [1,1,0,0,0,0|2,0,0]=4 1644 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [1,1,0,0,0,0|2,0,0]=4 1645 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [1,1,0,0,0,0|2,0,0]=4 1646 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [1,1,0,0,0,0|1,1,0]=4 1647 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [1,1,0,0,0,0|1,1,0]=4 1648 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [1,1,0,0,0,0|1,1,0]=4 1649 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [1,1,0,0,0,0|1,1,0]=4 1650 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [1,1,0,0,0,0|1,1,0]=4 1651 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [1,1,0,0,0,0|1,1,0]=4 1652 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [1,1,0,0,0,0|1,1,0]=4 1653 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [1,1,0,0,0,0|1,1,0]=4 1654 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [1,1,0,0,0,0|1,1,0]=4 1655 B8R1.1 CSc1nnc(o1)C 62a_200000210301_100000708914 [1,1,0,0,0,0|2,0,0]=4 1656 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [1,1,0,0,0,0|2,0,0]=4 1657 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [1,1,0,0,0,0|2,0,0]=4 1658 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [1,1,0,0,0,0|2,0,0]=4 1659 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [1,1,0,0,0,0|2,0,0]=4 1660 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [1,1,0,0,0,0|2,0,0]=4 1661 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [1,1,0,0,0,0|2,0,0]=4 1662 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [1,1,0,0,0,0|2,0,0]=4 1663 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [1,1,0,0,0,0|2,0,0]=4 1664 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [1,1,0,0,0,0|1,1,0]=4 1665 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [1,1,0,0,0,0|1,1,0]=4 1666 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,1,0,0,0,0|0,1,0]=3 1667 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,1,0,0,0,0|0,1,0]=3 1668 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [1,1,0,0,0,0|1,1,0]=4 1669 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [1,1,0,0,0,0|1,1,0]=4 1670 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [1,1,0,0,0,0|0,1,0]=3 1671 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [1,1,0,0,0,0|0,1,0]=3 1672 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [1,1,0,0,0,0|1,1,0]=4 1673 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [1,1,0,0,0,0|1,1,0]=4 1674 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [1,1,0,0,0,0|2,0,0]=4 1675 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [1,1,0,0,0,0|2,0,0]=4 1676 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1677 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [1,1,0,0,0,0|2,0,0]=4 1678 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [1,1,0,0,0,0|1,1,0]=4 1679 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [1,1,0,0,0,0|1,1,0]=4 1680 B8R1.1 Cc1nnc(o1)S[13CH3] 62a_200025704644_100000708914 [1,1,0,0,0,0|2,0,0]=4 1681 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1682 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [1,1,0,0,0,0|2,0,0]=4 1683 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_100000040308_200025704644 [1,1,0,0,0,0|2,0,0]=4 1684 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_200025704644_100000040308 [1,1,0,0,0,0|2,0,0]=4 1685 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [1,1,0,0,0,0|1,0,1]=4 1686 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [1,1,0,0,0,0|1,0,0]=3 1687 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [1,1,0,0,0,0|1,1,0]=4 1688 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,1,0,0,0,0|0,1,1]=4 1689 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,1,0,0,0,0|0,1,1]=4 1690 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [1,1,0,0,0,0|0,2,0]=4 1691 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [1,1,0,0,0,0|0,1,0]=3 1692 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,1,0,0,0,0|0,2,0]=4 1693 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1694 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [1,1,0,0,0,0|2,0,0]=4 1695 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [1,1,0,0,0,0|2,0,0]=4 1696 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [1,1,0,0,0,0|2,0,0]=4 1697 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [1,1,0,0,0,0|0,1,0]=3 1698 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [1,1,0,0,0,0|0,1,0]=3 1699 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [1,1,0,0,0,0|1,1,0]=4 1700 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [1,1,0,0,0,0|1,1,0]=4 1701 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [1,1,0,0,0,0|1,1,0]=4 1702 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [1,1,0,0,0,0|1,1,0]=4 1703 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1704 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [1,1,0,0,0,0|2,0,0]=4 1705 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [1,1,0,0,0,0|1,1,0]=4 1706 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [1,1,0,0,0,0|1,1,0]=4 1707 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [1,1,0,0,0,0|1,1,0]=4 1708 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [1,1,0,0,0,0|1,1,0]=4 1709 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,1,0,0,0,0|0,0,1]=3 1710 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,1,0,0,0,0|0,1,1]=4 1711 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [1,1,0,0,0,0|1,0,1]=4 1712 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,1,0,0,0,0|1,0,1]=4 1713 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,1,0,0,0,0|2,0,0]=4 1714 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,1,0,0,0,0|2,0,0]=4 1715 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [1,1,0,0,0,0|2,0,0]=4 1716 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [1,1,0,0,0,0|2,0,0]=4 1718 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,1,0,0,0,0|2,0,0]=4 1720 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,1,0,0,0,0|2,0,0]=4 1721 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,1,0,0,0,0|2,0,0]=4 1722 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [1,1,0,0,0,0|2,0,0]=4 1723 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [1,1,0,0,0,0|2,0,0]=4 1724 B8R1.11 CSc1cscc1Br 62a_100010143727_200000210301 [1,1,0,0,0,0|2,0,0]=4 1725 B8R1.11 CSc1cscc1Br 62a_200000210301_100010143727 [1,1,0,0,0,0|2,0,0]=4 1726 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [1,1,0,0,0,0|2,0,0]=4 1727 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [1,1,0,0,0,0|2,0,0]=4 1728 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [1,1,0,0,0,0|2,0,0]=4 1729 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [1,1,0,0,0,0|2,0,0]=4 1730 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [1,1,0,0,0,0|2,0,0]=4 1731 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [1,1,0,0,0,0|2,0,0]=4 1732 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [1,1,0,0,0,0|2,0,0]=4 1733 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [1,1,0,0,0,0|2,0,0]=4 1734 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [1,1,0,0,0,0|2,0,0]=4 1735 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [1,1,0,0,0,0|2,0,0]=4 1736 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [1,1,0,0,0,0|2,0,0]=4 1737 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [1,1,0,0,0,0|2,0,0]=4 1738 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1739 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [1,1,0,0,0,0|2,0,0]=4 1740 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,1,0,0,0,0|0,1,0]=3 1741 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,1,0,0,0,0|0,1,0]=3 1742 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,1,0,0,0,0|0,1,0]=3 1743 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,1,0,0,0,0|0,1,0]=3 1744 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,1,0,0,0,0|0,1,0]=3 1745 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [1,1,0,0,0,0|1,1,0]=4 1746 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [1,1,0,0,0,0|1,1,0]=4 1747 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [1,1,0,0,0,0|2,0,0]=4 1748 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [1,1,0,0,0,0|2,0,0]=4 1749 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [1,1,0,0,0,0|2,0,0]=4 1750 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [1,1,0,0,0,0|2,0,0]=4 1751 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,1,0,0,0,0|0,1,0]=3 1752 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,1,0,0,0,0|0,1,0]=3 1753 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [1,1,0,0,0,0|2,0,0]=4 1754 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [1,1,0,0,0,0|2,0,0]=4 1755 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [1,1,0,0,0,0|1,1,0]=4 1756 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [1,1,0,0,0,0|1,1,0]=4 1757 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,1,0,0,0,0|2,0,0]=4 1758 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,1,0,0,0,0|2,0,0]=4 1759 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1760 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [1,1,0,0,0,0|2,0,0]=4 1761 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [1,1,0,0,0,0|2,0,0]=4 1762 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [1,1,0,0,0,0|2,0,0]=4 1763 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [1,1,0,0,0,0|2,0,0]=4 1764 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [1,1,0,0,0,0|2,0,0]=4 1765 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,1,0,0,0,0|2,0,0]=4 1766 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,1,0,0,0,0|2,0,0]=4 1767 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,1,0,0,0,0|0,1,1]=4 1768 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,1,0,0,0,0|0,2,0]=4 1769 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [1,1,0,0,0,0|2,0,0]=4 1770 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [1,1,0,0,0,0|2,0,0]=4 1771 B8R1.11 [13CH3]Sc1cscc1Br 62a_100010143727_200025704644 [1,1,0,0,0,0|2,0,0]=4 1772 B8R1.11 [13CH3]Sc1cscc1Br 62a_200025704644_100010143727 [1,1,0,0,0,0|2,0,0]=4 1773 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [1,1,0,0,0,0|2,0,0]=4 1774 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [1,1,0,0,0,0|2,0,0]=4 1775 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [1,1,0,0,0,0|2,0,0]=4 1776 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [1,1,0,0,0,0|2,0,0]=4 1777 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,1,0,0,0,0|0,1,0]=3 1778 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,1,0,0,0,0|0,1,0]=3 1779 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [0,1,0,0,0,1|2,0,0]=4 1780 B10R1.1 CNCc1ccc(=O)[nH]n1 207a_100102657272_100011361533 [0,1,0,0,0,1|2,0,0]=4 1781 B10R1.1 CNCc1ccc(=O)[nH]n1 270004a_106832991635_100011361533 [0,1,0,0,0,1|2,0,0]=4 1782 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [0,1,0,0,0,1|2,0,0]=4 1783 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [0,1,0,0,0,1|2,0,0]=4 1784 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [0,1,0,0,0,1|2,0,0]=4 1785 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [0,1,0,0,0,1|2,0,0]=4 1786 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [0,1,0,0,0,1|2,0,0]=4 1787 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [0,1,0,0,0,1|2,0,0]=4 1788 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [0,1,0,0,0,1|2,0,0]=4 1789 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [0,1,0,0,0,1|2,0,0]=4 1790 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [0,1,0,0,0,1|2,0,0]=4 1791 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [0,1,0,0,0,1|2,0,0]=4 1792 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [0,1,0,0,0,1|2,0,0]=4 1793 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [0,1,0,0,0,1|2,0,0]=4 1794 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [0,1,0,0,0,1|2,0,0]=4 1795 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [0,1,0,0,0,1|2,0,0]=4 1796 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [0,1,0,0,0,1|2,0,0]=4 1797 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [0,1,0,0,0,1|2,0,0]=4 1798 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [0,1,0,0,0,1|2,0,0]=4 1799 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [0,1,0,0,0,1|2,0,0]=4 1800 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [0,1,0,0,0,1|2,0,0]=4 1801 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [0,1,0,0,0,1|2,0,0]=4 1802 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [0,1,0,0,0,1|2,0,0]=4 1803 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [0,1,0,0,0,1|2,0,0]=4 1804 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [0,1,0,0,0,1|2,0,0]=4 1805 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [0,1,0,0,0,1|2,0,0]=4 1806 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [0,1,0,0,0,1|2,0,0]=4 1807 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [0,1,0,0,0,1|2,0,0]=4 1808 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [0,1,0,0,0,1|2,0,0]=4 1809 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [0,1,0,0,0,1|2,0,0]=4 1810 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [0,1,0,0,0,1|2,0,0]=4 1811 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [0,1,0,0,0,1|2,0,0]=4 1812 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [0,1,0,0,0,1|2,0,0]=4 1813 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [0,1,0,0,0,1|2,0,0]=4 1814 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [0,1,0,0,0,1|2,0,0]=4 1815 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [0,1,0,0,0,1|2,0,0]=4 1816 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [0,1,0,0,0,1|2,0,0]=4 1817 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [0,1,0,0,0,1|2,0,0]=4 1818 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [0,1,0,0,0,1|2,0,0]=4 1819 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [0,1,0,0,0,1|2,0,0]=4 1820 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [0,1,0,0,0,1|2,0,0]=4 1821 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [0,1,0,0,0,1|2,0,0]=4 1822 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [0,1,0,0,0,1|2,0,0]=4 1823 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [0,1,0,0,0,1|2,0,0]=4 1824 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [0,1,0,0,0,1|2,0,0]=4 1825 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [0,1,0,0,0,1|2,0,0]=4 1826 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [0,1,0,0,0,1|2,0,0]=4 1827 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [0,1,0,0,0,1|2,0,0]=4 1828 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [0,1,0,0,0,1|2,0,0]=4 1829 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [0,1,0,0,0,1|2,0,0]=4 1830 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [0,1,0,0,0,1|2,0,0]=4 1831 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [0,1,0,0,0,1|2,0,0]=4 1832 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [0,1,0,0,0,1|2,0,0]=4 1833 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [0,1,0,0,0,1|2,0,0]=4 1834 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [0,1,0,0,0,1|2,0,0]=4 1835 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [0,1,0,0,0,1|2,0,0]=4 1836 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [0,1,0,0,0,1|2,0,0]=4 1837 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [0,1,0,0,0,1|2,0,0]=4 1838 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [0,1,0,0,0,1|2,0,0]=4 1839 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [0,1,0,0,0,1|2,0,0]=4 1840 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [0,1,0,0,0,1|2,0,0]=4 1841 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [0,1,0,0,0,1|2,0,0]=4 1842 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [0,1,0,0,0,1|2,0,0]=4 1843 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [0,1,0,0,0,1|2,0,0]=4 1844 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [0,1,0,0,0,1|2,0,0]=4 1845 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [0,1,0,0,0,1|2,0,0]=4 1846 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [0,1,0,0,0,1|2,0,0]=4 1847 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [0,1,0,0,0,1|2,0,0]=4 1848 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [0,1,0,0,0,1|2,0,0]=4 1849 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [0,1,0,0,0,1|2,0,0]=4 1850 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [0,1,0,0,0,1|2,0,0]=4 1851 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [0,1,0,0,0,1|2,0,0]=4 1852 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [0,1,0,0,0,1|2,0,0]=4 1853 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [0,1,0,0,0,1|2,0,0]=4 1854 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [0,1,0,0,0,1|2,0,0]=4 1855 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [0,1,0,0,0,1|2,0,0]=4 1856 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [0,1,0,0,0,1|2,0,0]=4 1857 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [0,1,0,0,0,1|2,0,0]=4 1858 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [0,1,0,0,0,1|2,0,0]=4 1859 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [0,1,0,0,0,1|2,0,0]=4 1860 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [0,1,0,0,0,1|2,0,0]=4 1861 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [0,1,0,0,0,1|2,0,0]=4 1862 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [0,1,0,0,0,1|2,0,0]=4 1863 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [0,1,0,0,0,1|2,0,0]=4 1864 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [0,1,0,0,0,1|2,0,0]=4 1865 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [0,1,0,0,0,1|2,0,0]=4 1866 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [0,1,0,0,0,1|2,0,0]=4 1867 B10R1.1 CNCc1ccc(nn1)Cl 2230a_106832991635_100016992710 [0,1,0,0,0,1|2,0,0]=4 1868 B10R1.1 CNCc1ccc(nn1)Cl 270004a_106832991635_100000044651 [0,1,0,0,0,1|2,0,0]=4 1869 B10R1.1 CNCc1ccc(nn1)Cl 34a_100102657272_100016992710 [0,1,0,0,0,1|2,0,0]=4 1870 B10R1.1 CNCc1ccc(nn1)Cl 7a_106832991635_100016992710 [0,1,0,0,0,1|2,0,0]=4 1871 B10R1.1 CNCc1cnc(cn1)C 2230a_106832991635_100000752025 [0,1,0,0,0,1|2,0,0]=4 1872 B10R1.1 CNCc1cnc(cn1)C 270004a_106832991635_100000685221 [0,1,0,0,0,1|2,0,0]=4 1873 B10R1.1 CNCc1cnc(cn1)C 34a_100132314150_200000210301 [0,1,0,0,0,1|2,0,0]=4 1874 B10R1.1 CNCc1cnc(cn1)C 7a_106832991635_100000752025 [0,1,0,0,0,1|2,0,0]=4 1875 B10R1.1 CNCc1cnc(cn1)Cl 270004a_106832991635_100012001714 [0,1,0,0,0,1|2,0,0]=4 1876 B10R1.1 CNCc1ncc(cn1)Br 34a_100102657272_100010064664 [0,1,0,0,0,1|2,0,0]=4 1877 B10R1.1 CNCc1ncc(cn1)Br 7a_106832991635_100010064664 [0,1,0,0,0,1|2,0,0]=4 1878 B10R1.1 CNCc1ncc(cn1)C 2230a_106832991635_100000685645 [0,1,0,0,0,1|2,0,0]=4 1879 B10R1.1 CNCc1ncc(cn1)C 34a_100102657272_100000685645 [0,1,0,0,0,1|2,0,0]=4 1880 B10R1.1 CNCc1ncc(cn1)C 7a_106832991635_100000685645 [0,1,0,0,0,1|2,0,0]=4 1881 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [0,1,0,0,0,1|1,1,0]=4 1882 B10R1.1 COCc1cc[n+](cc1)[O-] 34a_100000031831_200000210301 [0,1,0,0,0,1|1,1,0]=4 1883 B10R1.1 COCc1cc[n+](cc1)[O-] 7a_100000031831_200000210301 [0,1,0,0,0,1|1,1,0]=4 1884 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [0,1,0,0,0,1|1,1,0]=4 1885 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [0,1,0,0,0,1|1,1,0]=4 1886 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [0,1,0,0,0,1|1,1,0]=4 1887 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [0,1,0,0,0,1|1,1,0]=4 1888 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [0,1,0,0,0,1|1,1,0]=4 1889 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [0,1,0,0,0,1|1,1,0]=4 1890 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [0,1,0,0,0,1|1,1,0]=4 1891 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [0,1,0,0,0,1|1,1,0]=4 1892 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [0,1,0,0,0,1|1,1,0]=4 1893 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [0,1,0,0,0,1|1,1,0]=4 1894 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [0,1,0,0,0,1|1,1,0]=4 1895 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [0,1,0,0,0,1|1,1,0]=4 1896 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [0,1,0,0,0,1|1,1,0]=4 1897 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [0,1,0,0,0,1|1,1,0]=4 1898 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [0,1,0,0,0,1|1,1,0]=4 1899 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [0,1,0,0,0,1|1,1,0]=4 1900 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [0,1,0,0,0,1|1,1,0]=4 1901 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [0,1,0,0,0,1|1,1,0]=4 1902 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [0,1,0,0,0,1|1,1,0]=4 1903 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [0,1,0,0,0,1|1,1,0]=4 1904 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [0,1,0,0,0,1|1,1,0]=4 1905 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [0,1,0,0,0,1|1,1,0]=4 1906 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [0,1,0,0,0,1|1,1,0]=4 1907 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [0,1,0,0,0,1|1,1,0]=4 1908 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [0,1,0,0,0,1|1,1,0]=4 1909 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [0,1,0,0,0,1|1,1,0]=4 1910 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [0,1,0,0,0,1|1,1,0]=4 1911 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [0,1,0,0,0,1|1,1,0]=4 1912 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [0,1,0,0,0,1|1,1,0]=4 1913 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [0,1,0,0,0,1|1,1,0]=4 1914 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [0,1,0,0,0,1|1,1,0]=4 1915 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [0,1,0,0,0,1|1,1,0]=4 1916 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [0,1,0,0,0,1|1,1,0]=4 1917 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [0,1,0,0,0,1|1,1,0]=4 1918 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [0,1,0,0,0,1|1,1,0]=4 1919 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [0,1,0,0,0,1|1,1,0]=4 1920 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [0,1,0,0,0,1|1,1,0]=4 1921 B10R1.1 COCc1ccc(nn1)Cl 34a_100138415774_100016992710 [0,1,0,0,0,1|1,1,0]=4 1922 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [0,1,0,0,0,1|1,1,0]=4 1923 B10R1.1 COCc1cnc(cn1)Cl 34a_100012002382_200000210301 [0,1,0,0,0,1|1,1,0]=4 1924 B10R1.1 COCc1ncc(cn1)Br 34a_100138415774_100010064664 [0,1,0,0,0,1|1,1,0]=4 1925 B10R1.1 COCc1ncc(cn1)C 34a_100138415774_100000685645 [0,1,0,0,0,1|1,1,0]=4 1926 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [0,1,0,0,0,1|1,0,0]=3 1927 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [0,1,0,0,0,1|1,0,0]=3 1928 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [0,1,0,0,0,1|1,0,0]=3 1929 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [0,1,0,0,0,1|1,0,0]=3 1930 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [0,1,0,0,0,1|1,0,0]=3 1931 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [0,1,0,0,0,1|1,0,0]=3 1932 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [0,1,0,0,0,1|1,0,0]=3 1933 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [0,1,0,0,0,1|1,0,0]=3 1934 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [0,1,0,0,0,1|1,0,0]=3 1935 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [0,1,0,0,0,1|1,0,0]=3 1936 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [0,1,0,0,0,1|1,0,0]=3 1937 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [0,1,0,0,0,1|1,0,0]=3 1938 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [0,1,0,0,0,1|1,0,0]=3 1939 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [0,1,0,0,0,1|1,0,0]=3 1940 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [0,1,0,0,0,1|1,0,0]=3 1941 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [0,1,0,0,0,1|1,0,0]=3 1942 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [0,1,0,0,0,1|1,0,0]=3 1943 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [0,1,0,0,0,1|1,0,0]=3 1944 B10R1.1 CSCc1ccc(nc1)Br 62a_100009831999_200000210301 [0,1,0,0,0,1|1,0,0]=3 1945 B10R1.1 CSCc1ccc(nc1)Br 62a_200000210301_100009831999 [0,1,0,0,0,1|1,0,0]=3 1946 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [0,1,0,0,0,1|1,0,0]=3 1947 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [0,1,0,0,0,1|1,0,0]=3 1948 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [0,1,0,0,0,1|1,0,0]=3 1949 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [0,1,0,0,0,1|1,0,0]=3 1950 B10R1.1 CSCc1ccc(nc1)F 62a_100009820150_200000210301 [0,1,0,0,0,1|1,0,0]=3 1951 B10R1.1 CSCc1ccc(nc1)F 62a_200000210301_100000099788 [0,1,0,0,0,1|1,0,0]=3 1952 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [0,1,0,0,0,1|1,0,0]=3 1953 B10R1.1 CSCc1ccc(nn1)Cl 62a_100016992710_200000210301 [0,1,0,0,0,1|1,0,0]=3 1954 B10R1.1 CSCc1ccc(nn1)Cl 62a_200000210301_100016992710 [0,1,0,0,0,1|1,0,0]=3 1955 B10R1.1 CSCc1cnc(cn1)C 62a_100000752025_200000210301 [0,1,0,0,0,1|1,0,0]=3 1956 B10R1.1 CSCc1cnc(cn1)C 62a_200000210301_100000752025 [0,1,0,0,0,1|1,0,0]=3 1957 B10R1.1 CSCc1ncc(cn1)Br 62a_100010064664_200000210301 [0,1,0,0,0,1|1,0,0]=3 1958 B10R1.1 CSCc1ncc(cn1)Br 62a_200000210301_100010064664 [0,1,0,0,0,1|1,0,0]=3 1959 B10R1.1 CSCc1ncc(cn1)C 62a_100000685645_200000210301 [0,1,0,0,0,1|1,0,0]=3 1960 B10R1.1 CSCc1ncc(cn1)C 62a_200000210301_100000685645 [0,1,0,0,0,1|1,0,0]=3 1961 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [0,1,0,0,0,1|1,1,0]=4 1962 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [0,1,0,0,0,1|2,0,0]=4 1963 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [0,1,0,0,0,1|2,0,0]=4 1964 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [0,1,0,0,0,1|1,1,0]=4 1965 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [0,1,0,0,0,1|1,1,0]=4 1966 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [0,1,0,0,0,1|1,0,0]=3 1967 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [0,1,0,0,0,1|1,0,0]=3 1968 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [0,1,0,0,0,1|2,0,0]=4 1969 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [0,1,0,0,0,1|1,1,0]=4 1970 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [0,1,0,0,0,1|1,0,0]=3 1971 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [0,1,0,0,0,1|1,0,0]=3 1972 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [0,1,0,0,0,1|2,0,0]=4 1973 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [0,1,0,0,0,1|1,1,0]=4 1974 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [0,1,0,0,0,1|1,0,0]=3 1975 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [0,1,0,0,0,1|1,0,0]=3 1976 B10R1.1 Cc1cnc(cn1)CN[13CH3] 34a_100132314150_200025704644 [0,1,0,0,0,1|2,0,0]=4 1977 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [0,1,0,0,0,1|1,1,0]=4 1978 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_100000752025_200025704644 [0,1,0,0,0,1|1,0,0]=3 1979 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_200025704644_100000752025 [0,1,0,0,0,1|1,0,0]=3 1980 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_100000685645_200025704644 [0,1,0,0,0,1|1,0,0]=3 1981 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_200025704644_100000685645 [0,1,0,0,0,1|1,0,0]=3 1982 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [0,1,0,0,0,1|2,0,0]=4 1983 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [0,1,0,0,0,1|2,0,0]=4 1984 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [0,1,0,0,0,1|2,0,0]=4 1985 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [0,1,0,0,0,1|2,0,0]=4 1986 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [0,1,0,0,0,1|2,0,0]=4 1987 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [0,1,0,0,0,1|2,0,0]=4 1988 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [0,1,0,0,0,1|2,0,0]=4 1989 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [0,1,0,0,0,1|2,0,0]=4 1990 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [0,1,0,0,0,1|2,0,0]=4 1991 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [0,1,0,0,0,1|2,0,0]=4 1992 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [0,1,0,0,0,1|2,0,0]=4 1993 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [0,1,0,0,0,1|2,0,0]=4 1994 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [0,1,0,0,0,1|2,0,0]=4 1995 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [0,1,0,0,0,1|2,0,0]=4 1996 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1997 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1998 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [0,1,0,0,0,1|2,0,0]=4 1999 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [0,1,0,0,0,1|2,0,0]=4 2000 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [0,1,0,0,0,1|2,0,0]=4 2001 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 34a_100000031831_200025704644 [0,1,0,0,0,1|1,1,0]=4 2002 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 7a_100000031831_200025704644 [0,1,0,0,0,1|1,1,0]=4 2003 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [0,1,0,0,0,1|1,1,0]=4 2004 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [0,1,0,0,0,1|1,1,0]=4 2005 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [0,1,0,0,0,1|1,1,0]=4 2006 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [0,1,0,0,0,1|1,1,0]=4 2007 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [0,1,0,0,0,1|1,1,0]=4 2008 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [0,1,0,0,0,1|1,1,0]=4 2009 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [0,1,0,0,0,1|1,1,0]=4 2010 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [0,1,0,0,0,1|1,1,0]=4 2011 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [0,1,0,0,0,1|1,1,0]=4 2012 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [0,1,0,0,0,1|1,1,0]=4 2013 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [0,1,0,0,0,1|1,1,0]=4 2014 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [0,1,0,0,0,1|1,1,0]=4 2015 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [0,1,0,0,0,1|1,1,0]=4 2016 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [0,1,0,0,0,1|1,1,0]=4 2017 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [0,1,0,0,0,1|1,1,0]=4 2018 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [0,1,0,0,0,1|1,1,0]=4 2019 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [0,1,0,0,0,1|1,1,0]=4 2020 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [0,1,0,0,0,1|1,1,0]=4 2021 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [0,1,0,0,0,1|1,1,0]=4 2022 B10R1.1 [13CH3]OCc1cnc(cn1)Cl 34a_100012002382_200025704644 [0,1,0,0,0,1|1,1,0]=4 2023 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [0,1,0,0,0,1|1,0,0]=3 2024 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [0,1,0,0,0,1|1,0,0]=3 2025 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [0,1,0,0,0,1|1,0,0]=3 2026 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [0,1,0,0,0,1|1,0,0]=3 2027 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [0,1,0,0,0,1|1,0,0]=3 2028 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [0,1,0,0,0,1|1,0,0]=3 2029 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [0,1,0,0,0,1|1,0,0]=3 2030 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [0,1,0,0,0,1|1,0,0]=3 2031 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [0,1,0,0,0,1|1,0,0]=3 2032 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [0,1,0,0,0,1|1,0,0]=3 2033 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [0,1,0,0,0,1|1,0,0]=3 2034 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [0,1,0,0,0,1|1,0,0]=3 2035 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [0,1,0,0,0,1|1,0,0]=3 2036 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [0,1,0,0,0,1|1,0,0]=3 2037 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_100009831999_200025704644 [0,1,0,0,0,1|1,0,0]=3 2038 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_200025704644_100009831999 [0,1,0,0,0,1|1,0,0]=3 2039 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [0,1,0,0,0,1|1,0,0]=3 2040 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [0,1,0,0,0,1|1,0,0]=3 2041 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_100009820150_200025704644 [0,1,0,0,0,1|1,0,0]=3 2042 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_200025704644_100000099788 [0,1,0,0,0,1|1,0,0]=3 2043 B10R1.1 [13CH3]SCc1ccc(nn1)Cl 62a_100016992710_200025704644 [0,1,0,0,0,1|1,0,0]=3 2044 B10R1.1 [13CH3]SCc1ccc(nn1)Cl 62a_200025704644_100016992710 [0,1,0,0,0,1|1,0,0]=3 2045 B10R1.1 [13CH3]SCc1ncc(cn1)Br 62a_100010064664_200025704644 [0,1,0,0,0,1|1,0,0]=3 2046 B10R1.1 [13CH3]SCc1ncc(cn1)Br 62a_200025704644_100010064664 [0,1,0,0,0,1|1,0,0]=3 2047 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [0,1,0,0,0,1|2,0,0]=4 2048 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [0,1,0,0,0,1|2,0,0]=4 2049 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [0,1,0,0,0,1|2,0,0]=4 2050 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [0,1,0,0,0,1|2,0,0]=4 2051 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [0,1,0,0,0,1|2,0,0]=4 2052 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [0,1,0,0,0,1|2,0,0]=4 2053 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [0,1,0,0,0,1|2,0,0]=4 2054 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [0,1,0,0,0,1|2,0,0]=4 2055 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [0,1,0,0,0,1|2,0,0]=4 2056 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [0,1,0,0,0,1|2,0,0]=4 2057 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [0,1,0,0,0,1|2,0,0]=4 2058 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [0,1,0,0,0,1|2,0,0]=4 2059 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [0,1,0,0,0,1|2,0,0]=4 2060 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [0,1,0,0,0,1|2,0,0]=4 2061 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [0,1,0,0,0,1|2,0,0]=4 2062 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [0,1,0,0,0,1|2,0,0]=4 2063 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [0,1,0,0,0,1|2,0,0]=4 2064 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [0,1,0,0,0,1|2,0,0]=4 2065 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [0,1,0,0,0,1|2,0,0]=4 2066 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [0,1,0,0,0,1|2,0,0]=4 2067 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [0,1,0,0,0,1|2,0,0]=4 2068 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [0,1,0,0,0,1|2,0,0]=4 2069 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [0,1,0,0,0,1|2,0,0]=4 2070 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [0,1,0,0,0,1|2,0,0]=4 2071 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [0,1,0,0,0,1|2,0,0]=4 2072 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [0,1,0,0,0,1|2,0,0]=4 2073 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [0,1,0,0,0,1|2,0,0]=4 2074 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [0,1,0,0,0,1|2,0,0]=4 2075 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [0,1,0,0,0,1|2,0,0]=4 2076 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [0,1,0,0,0,1|2,0,0]=4 2077 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [0,1,0,0,0,1|2,0,0]=4 2078 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [0,1,0,0,0,1|2,0,0]=4 2079 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [0,1,0,0,0,1|2,0,0]=4 2080 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [0,1,0,0,0,1|2,0,0]=4 2081 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [0,1,0,0,0,1|2,0,0]=4 2082 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [0,1,0,0,0,1|2,0,0]=4 2083 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [0,1,0,0,0,1|2,0,0]=4 2084 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [0,1,0,0,0,1|2,0,0]=4 2085 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [0,1,0,0,0,1|2,0,0]=4 2086 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [0,1,0,0,0,1|2,0,0]=4 2087 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [0,1,0,0,0,1|2,0,0]=4 2088 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [0,1,0,0,0,1|2,0,0]=4 2089 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [0,1,0,0,0,1|2,0,0]=4 2090 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [0,1,0,0,0,1|2,0,0]=4 2091 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [0,1,0,0,0,1|2,0,0]=4 2092 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [0,1,0,0,0,1|2,0,0]=4 2093 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [0,1,0,0,0,1|2,0,0]=4 2094 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [0,1,0,0,0,1|2,0,0]=4 2095 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [0,1,0,0,0,1|2,0,0]=4 2096 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [0,1,0,0,0,1|2,0,0]=4 2097 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [0,1,0,0,0,1|2,0,0]=4 2098 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [0,1,0,0,0,1|2,0,0]=4 2099 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [0,1,0,0,0,1|2,0,0]=4 2100 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [0,1,0,0,0,1|2,0,0]=4 2101 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [0,1,0,0,0,1|2,0,0]=4 2102 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [0,1,0,0,0,1|2,0,0]=4 2103 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [0,1,0,0,0,1|2,0,0]=4 2104 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [0,1,0,0,0,1|2,0,0]=4 2105 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [0,1,0,0,0,1|2,0,0]=4 2106 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [0,1,0,0,0,1|2,0,0]=4 2107 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [0,1,0,0,0,1|2,0,0]=4 2108 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [0,1,0,0,0,1|2,0,0]=4 2109 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [0,1,0,0,0,1|2,0,0]=4 2110 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [0,1,0,0,0,1|2,0,0]=4 2111 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [0,1,0,0,0,1|2,0,0]=4 2112 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [0,1,0,0,0,1|2,0,0]=4 2113 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [0,1,0,0,0,1|2,0,0]=4 2114 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [0,1,0,0,0,1|2,0,0]=4 2115 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [0,1,0,0,0,1|2,0,0]=4 2116 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [0,1,0,0,0,1|2,0,0]=4 2117 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [0,1,0,0,0,1|2,0,0]=4 2118 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [0,1,0,0,0,1|2,0,0]=4 2119 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [0,1,0,0,0,1|2,0,0]=4 2120 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [0,1,0,0,0,1|2,0,0]=4 2121 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [0,1,0,0,0,1|2,0,0]=4 2122 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [0,1,0,0,0,1|2,0,0]=4 2123 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [0,1,0,0,0,1|2,0,0]=4 2124 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [0,1,0,0,0,1|2,0,0]=4 2125 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [0,1,0,0,0,1|2,0,0]=4 2126 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [0,1,0,0,0,1|2,0,0]=4 2127 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [0,1,0,0,0,1|2,0,0]=4 2128 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [0,1,0,0,0,1|2,0,0]=4 2129 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [0,1,0,0,0,1|2,0,0]=4 2130 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [0,1,0,0,0,1|2,0,0]=4 2131 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [0,1,0,0,0,1|2,0,0]=4 2132 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [0,1,0,0,0,1|2,0,0]=4 2133 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [0,1,0,0,0,1|2,0,0]=4 2134 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [0,1,0,0,0,1|2,0,0]=4 2135 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [0,1,0,0,0,1|2,0,0]=4 2136 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [0,1,0,0,0,1|2,0,0]=4 2137 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [0,1,0,0,0,1|2,0,0]=4 2138 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [0,1,0,0,0,1|2,0,0]=4 2139 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [0,1,0,0,0,1|2,0,0]=4 2140 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [0,1,0,0,0,1|2,0,0]=4 2141 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [0,1,0,0,0,1|2,0,0]=4 2142 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [0,1,0,0,0,1|2,0,0]=4 2143 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [0,1,0,0,0,1|2,0,0]=4 2144 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [0,1,0,0,0,1|2,0,0]=4 2145 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [0,1,0,0,0,1|2,0,0]=4 2146 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [0,1,0,0,0,1|2,0,0]=4 2147 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [0,1,0,0,0,1|2,0,0]=4 2148 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [0,1,0,0,0,1|2,0,0]=4 2149 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [0,1,0,0,0,1|2,0,0]=4 2150 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [0,1,0,0,0,1|2,0,0]=4 2151 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [0,1,0,0,0,1|2,0,0]=4 2152 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [0,1,0,0,0,1|1,1,0]=4 2153 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [0,1,0,0,0,1|1,1,0]=4 2154 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [0,1,0,0,0,1|1,1,0]=4 2155 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [0,1,0,0,0,1|1,1,0]=4 2156 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [0,1,0,0,0,1|1,1,0]=4 2157 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [0,1,0,0,0,1|1,1,0]=4 2158 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [0,1,0,0,0,1|1,1,0]=4 2159 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [0,1,0,0,0,1|1,1,0]=4 2160 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [0,1,0,0,0,1|1,1,0]=4 2161 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [0,1,0,0,0,1|1,1,0]=4 2162 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [0,1,0,0,0,1|1,1,0]=4 2163 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [0,1,0,0,0,1|1,1,0]=4 2164 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [0,1,0,0,0,1|1,1,0]=4 2165 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [0,1,0,0,0,1|1,1,0]=4 2166 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [0,1,0,0,0,1|1,1,0]=4 2167 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [0,1,0,0,0,1|1,1,0]=4 2168 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [0,1,0,0,0,1|1,1,0]=4 2169 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [0,1,0,0,0,1|1,1,0]=4 2170 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [0,1,0,0,0,1|1,1,0]=4 2171 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [0,1,0,0,0,1|1,1,0]=4 2172 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [0,1,0,0,0,1|1,1,0]=4 2173 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [0,1,0,0,0,1|1,1,0]=4 2174 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [0,1,0,0,0,1|1,1,0]=4 2175 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [0,1,0,0,0,1|1,1,0]=4 2176 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [0,1,0,0,0,1|1,1,0]=4 2177 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [0,1,0,0,0,1|1,1,0]=4 2178 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [0,1,0,0,0,1|1,1,0]=4 2179 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [0,1,0,0,0,1|1,1,0]=4 2180 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [0,1,0,0,0,1|1,1,0]=4 2181 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [0,1,0,0,0,1|1,1,0]=4 2182 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [0,1,0,0,0,1|1,1,0]=4 2183 B10R1.4 COCc1ccncc1F 34a_100012172863_200000210301 [0,1,0,0,0,1|1,1,0]=4 2184 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [0,1,0,0,0,1|1,1,0]=4 2185 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [0,1,0,0,0,1|1,1,0]=4 2186 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [0,1,0,0,0,1|1,1,0]=4 2187 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [0,1,0,0,0,1|1,1,0]=4 2188 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [0,1,0,0,0,1|1,1,0]=4 2189 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [0,1,0,0,0,1|1,1,0]=4 2190 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [0,1,0,0,0,1|1,1,0]=4 2191 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [0,1,0,0,0,1|1,1,0]=4 2192 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [0,1,0,0,0,1|1,1,0]=4 2193 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [0,1,0,0,0,1|1,1,0]=4 2194 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [0,1,0,0,0,1|1,1,0]=4 2195 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [0,1,0,0,0,1|1,1,0]=4 2196 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [0,1,0,0,0,1|1,1,0]=4 2197 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [0,1,0,0,0,1|1,0,0]=3 2198 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [0,1,0,0,0,1|1,0,0]=3 2199 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [0,1,0,0,0,1|1,0,0]=3 2200 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [0,1,0,0,0,1|1,0,0]=3 2201 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [0,1,0,0,0,1|1,0,0]=3 2202 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [0,1,0,0,0,1|1,0,0]=3 2203 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [0,1,0,0,0,1|1,0,0]=3 2204 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [0,1,0,0,0,1|1,0,0]=3 2205 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [0,1,0,0,0,1|1,0,0]=3 2206 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [0,1,0,0,0,1|1,0,0]=3 2207 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [0,1,0,0,0,1|1,0,0]=3 2208 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [0,1,0,0,0,1|1,0,0]=3 2209 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [0,1,0,0,0,1|1,0,0]=3 2210 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [0,1,0,0,0,1|1,0,0]=3 2211 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [0,1,0,0,0,1|1,0,0]=3 2212 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [0,1,0,0,0,1|1,0,0]=3 2213 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [0,1,0,0,0,1|1,0,0]=3 2214 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [0,1,0,0,0,1|1,0,0]=3 2215 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [0,1,0,0,0,1|1,0,0]=3 2216 B10R1.4 CSCc1ccncc1C 62a_100020672808_200000210301 [0,1,0,0,0,1|1,0,0]=3 2217 B10R1.4 CSCc1ccncc1C 62a_200000210301_100020672808 [0,1,0,0,0,1|1,0,0]=3 2218 B10R1.4 CSCc1ccncc1Cl 62a_100000763264_200000210301 [0,1,0,0,0,1|1,0,0]=3 2219 B10R1.4 CSCc1ccncc1Cl 62a_200000210301_100000763264 [0,1,0,0,0,1|1,0,0]=3 2220 B10R1.4 CSCc1cnccc1C 62a_100000690890_200000210301 [0,1,0,0,0,1|1,0,0]=3 2221 B10R1.4 CSCc1cnccc1C 62a_200000210301_100000690890 [0,1,0,0,0,1|1,0,0]=3 2222 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [0,1,0,0,0,1|1,0,0]=3 2223 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [0,1,0,0,0,1|1,0,0]=3 2224 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [0,1,0,0,0,1|1,0,0]=3 2225 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [0,1,0,0,0,1|1,0,0]=3 2226 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [0,1,0,0,0,1|1,0,0]=3 2227 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [0,1,0,0,0,1|1,0,0]=3 2228 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [0,1,0,0,0,1|1,0,0]=3 2229 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [0,1,0,0,0,1|1,0,0]=3 2230 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [0,1,0,0,0,1|1,0,0]=3 2231 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [0,1,0,0,0,1|1,0,0]=3 2232 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [0,1,0,0,0,1|2,0,0]=4 2233 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [0,1,0,0,0,1|1,1,0]=4 2234 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [0,1,0,0,0,1|1,1,0]=4 2235 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [0,1,0,0,0,1|1,0,0]=3 2236 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [0,1,0,0,0,1|1,0,0]=3 2237 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [0,1,0,0,0,1|2,0,0]=4 2238 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [0,1,0,0,0,1|1,1,0]=4 2239 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [0,1,0,0,0,1|1,0,0]=3 2240 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [0,1,0,0,0,1|1,0,0]=3 2241 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [0,1,0,0,0,1|1,1,0]=4 2242 B10R1.4 Cc1ccncc1CS[13CH3] 62a_100000690890_200025704644 [0,1,0,0,0,1|1,0,0]=3 2243 B10R1.4 Cc1ccncc1CS[13CH3] 62a_200025704644_100000690890 [0,1,0,0,0,1|1,0,0]=3 2244 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [0,1,0,0,0,1|1,1,0]=4 2245 B10R1.4 Cc1cnccc1CS[13CH3] 62a_100020672808_200025704644 [0,1,0,0,0,1|1,0,0]=3 2246 B10R1.4 Cc1cnccc1CS[13CH3] 62a_200025704644_100020672808 [0,1,0,0,0,1|1,0,0]=3 2247 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [0,1,0,0,0,1|1,1,0]=4 2248 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [0,1,0,0,0,1|1,1,0]=4 2249 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [0,1,0,0,0,1|1,0,0]=3 2250 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [0,1,0,0,0,1|1,0,0]=3 2251 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [0,1,0,0,0,1|2,0,0]=4 2252 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [0,1,0,0,0,1|2,0,0]=4 2253 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [0,1,0,0,0,1|2,0,0]=4 2254 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [0,1,0,0,0,1|2,0,0]=4 2255 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [0,1,0,0,0,1|2,0,0]=4 2256 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [0,1,0,0,0,1|2,0,0]=4 2257 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [0,1,0,0,0,1|2,0,0]=4 2258 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [0,1,0,0,0,1|2,0,0]=4 2259 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [0,1,0,0,0,1|2,0,0]=4 2260 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [0,1,0,0,0,1|2,0,0]=4 2261 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [0,1,0,0,0,1|2,0,0]=4 2262 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [0,1,0,0,0,1|2,0,0]=4 2263 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [0,1,0,0,0,1|2,0,0]=4 2264 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [0,1,0,0,0,1|2,0,0]=4 2265 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [0,1,0,0,0,1|2,0,0]=4 2266 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [0,1,0,0,0,1|2,0,0]=4 2267 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [0,1,0,0,0,1|2,0,0]=4 2268 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [0,1,0,0,0,1|1,1,0]=4 2269 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [0,1,0,0,0,1|1,1,0]=4 2270 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [0,1,0,0,0,1|1,1,0]=4 2271 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [0,1,0,0,0,1|1,1,0]=4 2272 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [0,1,0,0,0,1|1,1,0]=4 2273 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [0,1,0,0,0,1|1,1,0]=4 2274 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [0,1,0,0,0,1|1,1,0]=4 2275 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [0,1,0,0,0,1|1,1,0]=4 2276 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [0,1,0,0,0,1|1,1,0]=4 2277 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [0,1,0,0,0,1|1,1,0]=4 2278 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [0,1,0,0,0,1|1,1,0]=4 2279 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [0,1,0,0,0,1|1,1,0]=4 2280 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [0,1,0,0,0,1|1,1,0]=4 2281 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [0,1,0,0,0,1|1,1,0]=4 2282 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [0,1,0,0,0,1|1,1,0]=4 2283 B10R1.4 [13CH3]OCc1ccncc1F 34a_100012172863_200025704644 [0,1,0,0,0,1|1,1,0]=4 2284 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [0,1,0,0,0,1|1,1,0]=4 2285 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [0,1,0,0,0,1|1,1,0]=4 2286 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [0,1,0,0,0,1|1,1,0]=4 2287 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [0,1,0,0,0,1|1,1,0]=4 2288 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [0,1,0,0,0,1|1,1,0]=4 2289 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [0,1,0,0,0,1|1,1,0]=4 2290 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [0,1,0,0,0,1|1,0,0]=3 2291 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [0,1,0,0,0,1|1,0,0]=3 2292 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [0,1,0,0,0,1|1,0,0]=3 2293 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [0,1,0,0,0,1|1,0,0]=3 2294 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [0,1,0,0,0,1|1,0,0]=3 2295 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [0,1,0,0,0,1|1,0,0]=3 2296 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [0,1,0,0,0,1|1,0,0]=3 2297 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [0,1,0,0,0,1|1,0,0]=3 2298 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [0,1,0,0,0,1|1,0,0]=3 2299 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [0,1,0,0,0,1|1,0,0]=3 2300 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [0,1,0,0,0,1|1,0,0]=3 2301 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [0,1,0,0,0,1|1,0,0]=3 2302 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [0,1,0,0,0,1|1,0,0]=3 2303 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [0,1,0,0,0,1|1,0,0]=3 2304 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_100000763264_200025704644 [0,1,0,0,0,1|1,0,0]=3 2305 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_200025704644_100000763264 [0,1,0,0,0,1|1,0,0]=3 2306 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [0,1,0,0,0,1|1,0,0]=3 2307 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [0,1,0,0,0,1|1,0,0]=3 2308 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [0,1,0,0,0,1|1,0,0]=3 2309 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [0,1,0,0,0,1|1,0,0]=3 2310 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [0,1,0,0,0,1|1,0,0]=3 2311 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [0,1,0,0,0,1|1,0,0]=3 2312 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [0,1,0,0,0,1|1,0,0]=3 2313 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [0,1,0,0,0,1|1,0,0]=3 2314 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [0,1,0,0,0,1|2,0,0]=4 2315 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [0,1,0,0,0,1|2,0,0]=4 2316 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [0,1,0,0,0,1|2,0,0]=4 2317 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [0,1,0,0,0,1|2,0,0]=4 2318 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [0,1,0,0,0,1|2,0,0]=4 2319 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [0,1,0,0,0,1|2,0,0]=4 2320 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [0,1,0,0,0,1|2,0,0]=4 2321 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [0,1,0,0,0,1|2,0,0]=4 2322 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [0,1,0,0,0,1|2,0,0]=4 2323 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [0,1,0,0,0,1|2,0,0]=4 2324 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [0,1,0,0,0,1|2,0,0]=4 2325 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [0,1,0,0,0,1|2,0,0]=4 2326 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [0,1,0,0,0,1|2,0,0]=4 2327 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [0,1,0,0,0,1|2,0,0]=4 2328 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [0,1,0,0,0,1|2,0,0]=4 2329 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [0,1,0,0,0,1|2,0,0]=4 2330 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [0,1,0,0,0,1|2,0,0]=4 2331 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [0,1,0,0,0,1|2,0,0]=4 2332 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [0,1,0,0,0,1|2,0,0]=4 2333 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [0,1,0,0,0,1|2,0,0]=4 2334 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [0,1,0,0,0,1|2,0,0]=4 2335 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [0,1,0,0,0,1|2,0,0]=4 2336 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [0,1,0,0,0,1|2,0,0]=4 2337 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [0,1,0,0,0,1|2,0,0]=4 2338 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [0,1,0,0,0,1|2,0,0]=4 2339 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [0,1,0,0,0,1|2,0,0]=4 2340 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [0,1,0,0,0,1|2,0,0]=4 2341 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [0,1,0,0,0,1|2,0,0]=4 2342 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [0,1,0,0,0,1|2,0,0]=4 2343 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [0,1,0,0,0,1|2,0,0]=4 2344 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [0,1,0,0,0,1|2,0,0]=4 2345 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [0,1,0,0,0,1|2,0,0]=4 2346 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [0,1,0,0,0,1|2,0,0]=4 2347 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [0,1,0,0,0,1|2,0,0]=4 2348 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [0,1,0,0,0,1|2,0,0]=4 2349 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [0,1,0,0,0,1|2,0,0]=4 2350 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [0,1,0,0,0,1|2,0,0]=4 2351 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [0,1,0,0,0,1|2,0,0]=4 2352 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [0,1,0,0,0,1|2,0,0]=4 2353 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [0,1,0,0,0,1|2,0,0]=4 2354 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [0,1,0,0,0,1|2,0,0]=4 2355 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [0,1,0,0,0,1|2,0,0]=4 2356 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [0,1,0,0,0,1|2,0,0]=4 2357 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [0,1,0,0,0,1|2,0,0]=4 2358 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [0,1,0,0,0,1|2,0,0]=4 2359 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [0,1,0,0,0,1|2,0,0]=4 2360 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [0,1,0,0,0,1|2,0,0]=4 2361 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [0,1,0,0,0,1|2,0,0]=4 2362 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [0,1,0,0,0,1|2,0,0]=4 2363 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [0,1,0,0,0,1|2,0,0]=4 2364 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [0,1,0,0,0,1|2,0,0]=4 2365 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [0,1,0,0,0,1|2,0,0]=4 2366 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [0,1,0,0,0,1|2,0,0]=4 2367 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [0,1,0,0,0,1|2,0,0]=4 2368 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [0,1,0,0,0,1|2,0,0]=4 2369 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [0,1,0,0,0,1|2,0,0]=4 2370 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [0,1,0,0,0,1|2,0,0]=4 2371 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [0,1,0,0,0,1|2,0,0]=4 2372 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [0,1,0,0,0,1|2,0,0]=4 2373 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [0,1,0,0,0,1|2,0,0]=4 2374 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [0,1,0,0,0,1|2,0,0]=4 2375 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [0,1,0,0,0,1|2,0,0]=4 2376 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [0,1,0,0,0,1|2,0,0]=4 2377 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [0,1,0,0,0,1|2,0,0]=4 2378 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [0,1,0,0,0,1|2,0,0]=4 2379 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [0,1,0,0,0,1|2,0,0]=4 2380 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [0,1,0,0,0,1|2,0,0]=4 2381 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [0,1,0,0,0,1|2,0,0]=4 2382 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [0,1,0,0,0,1|2,0,0]=4 2383 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [0,1,0,0,0,1|2,0,0]=4 2384 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [0,1,0,0,0,1|2,0,0]=4 2385 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [0,1,0,0,0,1|2,0,0]=4 2386 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [0,1,0,0,0,1|2,0,0]=4 2387 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [0,1,0,0,0,1|2,0,0]=4 2388 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [0,1,0,0,0,1|2,0,0]=4 2389 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [0,1,0,0,0,1|2,0,0]=4 2390 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [0,1,0,0,0,1|2,0,0]=4 2391 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [0,1,0,0,0,1|2,0,0]=4 2392 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [0,1,0,0,0,1|2,0,0]=4 2393 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [0,1,0,0,0,1|2,0,0]=4 2394 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [0,1,0,0,0,1|2,0,0]=4 2395 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [0,1,0,0,0,1|2,0,0]=4 2396 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [0,1,0,0,0,1|2,0,0]=4 2397 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [0,1,0,0,0,1|2,0,0]=4 2398 B10R1.10 CNCc1ccnc(c1)Br 2230a_100025757509_200000210301 [0,1,0,0,0,1|2,0,0]=4 2399 B10R1.10 CNCc1ccnc(c1)Br 2230a_106832991635_100010243470 [0,1,0,0,0,1|2,0,0]=4 2400 B10R1.10 CNCc1ccnc(c1)Br 270004a_106832991635_100009814634 [0,1,0,0,0,1|2,0,0]=4 2401 B10R1.10 CNCc1ccnc(c1)Br 34a_100025757509_200000210301 [0,1,0,0,0,1|2,0,0]=4 2402 B10R1.10 CNCc1ccnc(c1)Br 34a_100102657272_100010243470 [0,1,0,0,0,1|2,0,0]=4 2403 B10R1.10 CNCc1ccnc(c1)Br 7a_106832991635_100010254460 [0,1,0,0,0,1|2,0,0]=4 2404 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [0,1,0,0,0,1|2,0,0]=4 2405 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [0,1,0,0,0,1|2,0,0]=4 2406 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [0,1,0,0,0,1|2,0,0]=4 2407 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [0,1,0,0,0,1|2,0,0]=4 2408 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [0,1,0,0,0,1|2,0,0]=4 2409 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [0,1,0,0,0,1|2,0,0]=4 2410 B10R1.10 CNCc1ccnc(c1)Cl 2230a_100015205668_200000210301 [0,1,0,0,0,1|2,0,0]=4 2411 B10R1.10 CNCc1ccnc(c1)Cl 2230a_106832991635_100000764220 [0,1,0,0,0,1|2,0,0]=4 2412 B10R1.10 CNCc1ccnc(c1)Cl 270004a_106832991635_100011290808 [0,1,0,0,0,1|2,0,0]=4 2413 B10R1.10 CNCc1ccnc(c1)Cl 34a_100015205668_200000210301 [0,1,0,0,0,1|2,0,0]=4 2414 B10R1.10 CNCc1ccnc(c1)Cl 34a_100102657272_100000764220 [0,1,0,0,0,1|2,0,0]=4 2415 B10R1.10 CNCc1ccnc(c1)Cl 7a_106832991635_100000764220 [0,1,0,0,0,1|2,0,0]=4 2416 B10R1.10 CNCc1ccnc(c1)F 2230a_100015188774_200000210301 [0,1,0,0,0,1|2,0,0]=4 2417 B10R1.10 CNCc1ccnc(c1)F 270004a_106832991635_100000068331 [0,1,0,0,0,1|2,0,0]=4 2418 B10R1.10 CNCc1ccnc(c1)F 34a_100015188774_200000210301 [0,1,0,0,0,1|2,0,0]=4 2419 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [0,1,0,0,0,1|2,0,0]=4 2420 B10R1.10 CNCc1ccnc(n1)C 270004a_106832991635_100011361539 [0,1,0,0,0,1|2,0,0]=4 2421 B10R1.10 CNCc1ccnc(n1)Cl 2230a_106832991635_100000099655 [0,1,0,0,0,1|2,0,0]=4 2422 B10R1.10 CNCc1ccnc(n1)Cl 34a_100102657272_100000099655 [0,1,0,0,0,1|2,0,0]=4 2423 B10R1.10 CNCc1ccnc(n1)Cl 7a_106832991635_100000099655 [0,1,0,0,0,1|2,0,0]=4 2424 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [0,1,0,0,0,1|2,0,0]=4 2425 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [0,1,0,0,0,1|2,0,0]=4 2426 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [0,1,0,0,0,1|2,0,0]=4 2427 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [0,1,0,0,0,1|2,0,0]=4 2428 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [0,1,0,0,0,1|2,0,0]=4 2429 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [0,1,0,0,0,1|2,0,0]=4 2430 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [0,1,0,0,0,1|2,0,0]=4 2431 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [0,1,0,0,0,1|2,0,0]=4 2432 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [0,1,0,0,0,1|2,0,0]=4 2433 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [0,1,0,0,0,1|2,0,0]=4 2434 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [0,1,0,0,0,1|2,0,0]=4 2435 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [0,1,0,0,0,1|2,0,0]=4 2436 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [0,1,0,0,0,1|2,0,0]=4 2437 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [0,1,0,0,0,1|2,0,0]=4 2438 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [0,1,0,0,0,1|2,0,0]=4 2439 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [0,1,0,0,0,1|2,0,0]=4 2440 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [0,1,0,0,0,1|2,0,0]=4 2441 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [0,1,0,0,0,1|2,0,0]=4 2442 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [0,1,0,0,0,1|2,0,0]=4 2443 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [0,1,0,0,0,1|2,0,0]=4 2444 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [0,1,0,0,0,1|2,0,0]=4 2445 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [0,1,0,0,0,1|2,0,0]=4 2446 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [0,1,0,0,0,1|2,0,0]=4 2447 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [0,1,0,0,0,1|2,0,0]=4 2448 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [0,1,0,0,0,1|2,0,0]=4 2449 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [0,1,0,0,0,1|2,0,0]=4 2450 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [0,1,0,0,0,1|2,0,0]=4 2451 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [0,1,0,0,0,1|2,0,0]=4 2452 B10R1.10 CNCc1cncc(n1)C 207a_100102657272_100000100294 [0,1,0,0,0,1|2,0,0]=4 2453 B10R1.10 CNCc1cncc(n1)C 270004a_106832991635_100000100294 [0,1,0,0,0,1|2,0,0]=4 2454 B10R1.10 CNCc1nccc(n1)C 2230a_100015186494_200000210301 [0,1,0,0,0,1|2,0,0]=4 2455 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [0,1,0,0,0,1|1,1,0]=4 2456 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [0,1,0,0,0,1|1,1,0]=4 2457 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [0,1,0,0,0,1|1,1,0]=4 2458 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [0,1,0,0,0,1|1,1,0]=4 2459 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [0,1,0,0,0,1|1,1,0]=4 2460 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [0,1,0,0,0,1|1,1,0]=4 2461 B10R1.10 COCc1cc(cnn1)C 34a_100016212594_200000210301 [0,1,0,0,0,1|1,1,0]=4 2462 B10R1.10 COCc1cc(ncn1)O 271570a_203496583355_100000688101 [0,1,0,0,0,1|1,1,0]=4 2463 B10R1.10 COCc1ccc[n+](c1)[O-] 34a_100000037817_200000210301 [0,1,0,0,0,1|1,1,0]=4 2464 B10R1.10 COCc1ccc[n+](c1)[O-] 7a_100000037817_200000210301 [0,1,0,0,0,1|1,1,0]=4 2465 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [0,1,0,0,0,1|1,1,0]=4 2466 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [0,1,0,0,0,1|1,1,0]=4 2467 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [0,1,0,0,0,1|1,1,0]=4 2468 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [0,1,0,0,0,1|1,1,0]=4 2469 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [0,1,0,0,0,1|1,1,0]=4 2470 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [0,1,0,0,0,1|1,1,0]=4 2471 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [0,1,0,0,0,1|1,1,0]=4 2472 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [0,1,0,0,0,1|1,1,0]=4 2473 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [0,1,0,0,0,1|1,1,0]=4 2474 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [0,1,0,0,0,1|1,1,0]=4 2475 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [0,1,0,0,0,1|1,1,0]=4 2476 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [0,1,0,0,0,1|1,1,0]=4 2477 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [0,1,0,0,0,1|1,1,0]=4 2478 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [0,1,0,0,0,1|1,1,0]=4 2479 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [0,1,0,0,0,1|1,1,0]=4 2480 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [0,1,0,0,0,1|1,1,0]=4 2481 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [0,1,0,0,0,1|1,1,0]=4 2482 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [0,1,0,0,0,1|1,1,0]=4 2483 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [0,1,0,0,0,1|1,1,0]=4 2484 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [0,1,0,0,0,1|1,1,0]=4 2485 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [0,1,0,0,0,1|1,1,0]=4 2486 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [0,1,0,0,0,1|1,1,0]=4 2487 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [0,1,0,0,0,1|1,1,0]=4 2488 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [0,1,0,0,0,1|1,1,0]=4 2489 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [0,1,0,0,0,1|1,1,0]=4 2490 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [0,1,0,0,0,1|1,1,0]=4 2491 B10R1.10 COCc1ccnc(c1)Br 34a_100009814636_200000210301 [0,1,0,0,0,1|1,1,0]=4 2492 B10R1.10 COCc1ccnc(c1)Br 34a_100138415774_100010243470 [0,1,0,0,0,1|1,1,0]=4 2493 B10R1.10 COCc1ccnc(c1)Br 7a_100009814636_200000210301 [0,1,0,0,0,1|1,1,0]=4 2494 B10R1.10 COCc1ccnc(c1)C 34a_100011998630_200000210301 [0,1,0,0,0,1|1,1,0]=4 2495 B10R1.10 COCc1ccnc(c1)C 34a_100138415774_200020672517 [0,1,0,0,0,1|1,1,0]=4 2496 B10R1.10 COCc1ccnc(c1)Cl 34a_100000748751_200000210301 [0,1,0,0,0,1|1,1,0]=4 2497 B10R1.10 COCc1ccnc(c1)Cl 34a_100138415774_100000764220 [0,1,0,0,0,1|1,1,0]=4 2498 B10R1.10 COCc1ccnc(c1)F 34a_100000082451_200000210301 [0,1,0,0,0,1|1,1,0]=4 2499 B10R1.10 COCc1ccnc(n1)Cl 34a_100138415774_100000099655 [0,1,0,0,0,1|1,1,0]=4 2500 B10R1.10 COCc1cncc(c1)Br 34a_100011259137_200000210301 [0,1,0,0,0,1|1,1,0]=4 2501 B10R1.10 COCc1cncc(c1)Br 34a_100138415774_100000738771 [0,1,0,0,0,1|1,1,0]=4 2502 B10R1.10 COCc1cncc(c1)Br 7a_100011259137_200000210301 [0,1,0,0,0,1|1,1,0]=4 2503 B10R1.10 COCc1cncc(c1)C 34a_100011998709_200000210301 [0,1,0,0,0,1|1,1,0]=4 2504 B10R1.10 COCc1cncc(c1)C 34a_100138415774_100000716715 [0,1,0,0,0,1|1,1,0]=4 2505 B10R1.10 COCc1cncc(c1)C 7a_100011998709_200000210301 [0,1,0,0,0,1|1,1,0]=4 2506 B10R1.10 COCc1cncc(c1)Cl 34a_100000092867_200000210301 [0,1,0,0,0,1|1,1,0]=4 2507 B10R1.10 COCc1cncc(c1)Cl 34a_100138415774_100016992070 [0,1,0,0,0,1|1,1,0]=4 2508 B10R1.10 COCc1cncc(c1)Cl 7a_100000092867_200000210301 [0,1,0,0,0,1|1,1,0]=4 2509 B10R1.10 COCc1cncc(c1)F 34a_100011962875_200000210301 [0,1,0,0,0,1|1,1,0]=4 2510 B10R1.10 COCc1cncc(c1)F 34a_100138415774_100000725299 [0,1,0,0,0,1|1,1,0]=4 2511 B10R1.10 COCc1cncc(c1)F 7a_100011962875_200000210301 [0,1,0,0,0,1|1,1,0]=4 2512 B10R1.10 COCc1cncc(c1)N 34a_100000085308_200000210301 [0,1,0,0,0,1|1,1,0]=4 2513 B10R1.10 CSCc1cc(ccn1)Br 62a_100010173614_200000210301 [0,1,0,0,0,1|1,0,0]=3 2514 B10R1.10 CSCc1cc(ccn1)Br 62a_200000210301_100010173614 [0,1,0,0,0,1|1,0,0]=3 2515 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [0,1,0,0,0,1|1,0,0]=3 2516 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [0,1,0,0,0,1|1,0,0]=3 2517 B10R1.10 CSCc1cc(ccn1)Cl 62a_100016988179_200000210301 [0,1,0,0,0,1|1,0,0]=3 2518 B10R1.10 CSCc1cc(ccn1)Cl 62a_200000210301_100016988179 [0,1,0,0,0,1|1,0,0]=3 2519 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [0,1,0,0,0,1|1,0,0]=3 2520 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [0,1,0,0,0,1|1,0,0]=3 2521 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [0,1,0,0,0,1|1,0,0]=3 2522 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [0,1,0,0,0,1|1,0,0]=3 2523 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [0,1,0,0,0,1|1,0,0]=3 2524 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [0,1,0,0,0,1|1,0,0]=3 2525 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [0,1,0,0,0,1|1,0,0]=3 2526 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [0,1,0,0,0,1|1,0,0]=3 2527 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [0,1,0,0,0,1|1,0,0]=3 2528 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [0,1,0,0,0,1|1,0,0]=3 2529 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [0,1,0,0,0,1|1,0,0]=3 2530 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [0,1,0,0,0,1|1,0,0]=3 2531 B10R1.10 CSCc1cccc(n1)Br 62a_100009889011_200000210301 [0,1,0,0,0,1|1,0,0]=3 2532 B10R1.10 CSCc1cccc(n1)Br 62a_200000210301_100009889011 [0,1,0,0,0,1|1,0,0]=3 2533 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [0,1,0,0,0,1|1,0,0]=3 2534 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [0,1,0,0,0,1|1,0,0]=3 2535 B10R1.10 CSCc1cccc(n1)Cl 62a_100000086093_200000210301 [0,1,0,0,0,1|1,0,0]=3 2536 B10R1.10 CSCc1cccc(n1)Cl 62a_200000210301_100000086093 [0,1,0,0,0,1|1,0,0]=3 2537 B10R1.10 CSCc1cccc(n1)F 62a_100009819644_200000210301 [0,1,0,0,0,1|1,0,0]=3 2538 B10R1.10 CSCc1cccc(n1)F 62a_200000210301_100009819644 [0,1,0,0,0,1|1,0,0]=3 2539 B10R1.10 CSCc1ccnc(c1)Br 62a_100010254460_200000210301 [0,1,0,0,0,1|1,0,0]=3 2540 B10R1.10 CSCc1ccnc(c1)Br 62a_200000210301_100010243470 [0,1,0,0,0,1|1,0,0]=3 2541 B10R1.10 CSCc1ccnc(c1)C 62a_200000210301_200020672517 [0,1,0,0,0,1|1,0,0]=3 2542 B10R1.10 CSCc1ccnc(c1)C 62a_200020672517_200000210301 [0,1,0,0,0,1|1,0,0]=3 2543 B10R1.10 CSCc1ccnc(c1)Cl 62a_100000764220_200000210301 [0,1,0,0,0,1|1,0,0]=3 2544 B10R1.10 CSCc1ccnc(c1)Cl 62a_200000210301_100000764220 [0,1,0,0,0,1|1,0,0]=3 2545 B10R1.10 CSCc1ccnc(n1)Cl 62a_100000099655_200000210301 [0,1,0,0,0,1|1,0,0]=3 2546 B10R1.10 CSCc1ccnc(n1)Cl 62a_200000210301_100000099655 [0,1,0,0,0,1|1,0,0]=3 2547 B10R1.10 CSCc1cncc(c1)Br 62a_100000738771_200000210301 [0,1,0,0,0,1|1,0,0]=3 2548 B10R1.10 CSCc1cncc(c1)Br 62a_200000210301_100000738771 [0,1,0,0,0,1|1,0,0]=3 2549 B10R1.10 CSCc1cncc(c1)C 62a_100000716715_200000210301 [0,1,0,0,0,1|1,0,0]=3 2550 B10R1.10 CSCc1cncc(c1)C 62a_200000210301_100000716715 [0,1,0,0,0,1|1,0,0]=3 2551 B10R1.10 CSCc1cncc(c1)Cl 62a_100016992070_200000210301 [0,1,0,0,0,1|1,0,0]=3 2552 B10R1.10 CSCc1cncc(c1)Cl 62a_200000210301_100016992070 [0,1,0,0,0,1|1,0,0]=3 2553 B10R1.10 CSCc1cncc(c1)F 62a_100000725299_200000210301 [0,1,0,0,0,1|1,0,0]=3 2554 B10R1.10 CSCc1cncc(c1)F 62a_200000210301_100000725299 [0,1,0,0,0,1|1,0,0]=3 2555 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [0,1,0,0,0,1|2,0,0]=4 2556 B10R1.10 Cc1cc(ccn1)CO[13CH3] 34a_100011998630_200025704644 [0,1,0,0,0,1|1,1,0]=4 2557 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200020672517_200025704644 [0,1,0,0,0,1|1,0,0]=3 2558 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200025704644_200020672517 [0,1,0,0,0,1|1,0,0]=3 2559 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [0,1,0,0,0,1|2,0,0]=4 2560 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [0,1,0,0,0,1|2,0,0]=4 2561 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [0,1,0,0,0,1|1,1,0]=4 2562 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [0,1,0,0,0,1|1,1,0]=4 2563 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [0,1,0,0,0,1|1,0,0]=3 2564 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [0,1,0,0,0,1|1,0,0]=3 2565 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [0,1,0,0,0,1|2,0,0]=4 2566 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [0,1,0,0,0,1|1,1,0]=4 2567 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [0,1,0,0,0,1|1,0,0]=3 2568 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [0,1,0,0,0,1|1,0,0]=3 2569 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [0,1,0,0,0,1|1,1,0]=4 2570 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [0,1,0,0,0,1|1,0,0]=3 2571 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [0,1,0,0,0,1|1,0,0]=3 2572 B10R1.10 Cc1ccnc(n1)CN[13CH3] 2230a_100015186494_200025704644 [0,1,0,0,0,1|2,0,0]=4 2573 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [0,1,0,0,0,1|2,0,0]=4 2574 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [0,1,0,0,0,1|2,0,0]=4 2575 B10R1.10 Cc1cncc(c1)CO[13CH3] 34a_100011998709_200025704644 [0,1,0,0,0,1|1,1,0]=4 2576 B10R1.10 Cc1cncc(c1)CO[13CH3] 7a_100011998709_200025704644 [0,1,0,0,0,1|1,1,0]=4 2577 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_100000716715_200025704644 [0,1,0,0,0,1|1,0,0]=3 2578 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_200025704644_100000716715 [0,1,0,0,0,1|1,0,0]=3 2579 B10R1.10 Cc1cnnc(c1)CO[13CH3] 34a_100016212594_200025704644 [0,1,0,0,0,1|1,1,0]=4 2580 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [0,1,0,0,0,1|2,0,0]=4 2581 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [0,1,0,0,0,1|2,0,0]=4 2582 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [0,1,0,0,0,1|2,0,0]=4 2583 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [0,1,0,0,0,1|2,0,0]=4 2584 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [0,1,0,0,0,1|2,0,0]=4 2585 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [0,1,0,0,0,1|2,0,0]=4 2586 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [0,1,0,0,0,1|2,0,0]=4 2587 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [0,1,0,0,0,1|2,0,0]=4 2588 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [0,1,0,0,0,1|2,0,0]=4 2589 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [0,1,0,0,0,1|2,0,0]=4 2590 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [0,1,0,0,0,1|2,0,0]=4 2591 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [0,1,0,0,0,1|2,0,0]=4 2592 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [0,1,0,0,0,1|2,0,0]=4 2593 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [0,1,0,0,0,1|2,0,0]=4 2594 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [0,1,0,0,0,1|2,0,0]=4 2595 B10R1.10 [13CH3]NCc1ccnc(c1)Br 2230a_100025757509_200025704644 [0,1,0,0,0,1|2,0,0]=4 2596 B10R1.10 [13CH3]NCc1ccnc(c1)Br 34a_100025757509_200025704644 [0,1,0,0,0,1|2,0,0]=4 2597 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 2230a_100015205668_200025704644 [0,1,0,0,0,1|2,0,0]=4 2598 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 34a_100015205668_200025704644 [0,1,0,0,0,1|2,0,0]=4 2599 B10R1.10 [13CH3]NCc1ccnc(c1)F 2230a_100015188774_200025704644 [0,1,0,0,0,1|2,0,0]=4 2600 B10R1.10 [13CH3]NCc1ccnc(c1)F 34a_100015188774_200025704644 [0,1,0,0,0,1|2,0,0]=4 2601 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [0,1,0,0,0,1|2,0,0]=4 2602 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [0,1,0,0,0,1|2,0,0]=4 2603 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [0,1,0,0,0,1|2,0,0]=4 2604 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [0,1,0,0,0,1|1,1,0]=4 2605 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [0,1,0,0,0,1|1,1,0]=4 2606 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 34a_100000037817_200025704644 [0,1,0,0,0,1|1,1,0]=4 2607 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 7a_100000037817_200025704644 [0,1,0,0,0,1|1,1,0]=4 2608 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [0,1,0,0,0,1|1,1,0]=4 2609 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [0,1,0,0,0,1|1,1,0]=4 2610 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [0,1,0,0,0,1|1,1,0]=4 2611 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [0,1,0,0,0,1|1,1,0]=4 2612 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [0,1,0,0,0,1|1,1,0]=4 2613 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [0,1,0,0,0,1|1,1,0]=4 2614 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [0,1,0,0,0,1|1,1,0]=4 2615 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [0,1,0,0,0,1|1,1,0]=4 2616 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [0,1,0,0,0,1|1,1,0]=4 2617 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [0,1,0,0,0,1|1,1,0]=4 2618 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [0,1,0,0,0,1|1,1,0]=4 2619 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [0,1,0,0,0,1|1,1,0]=4 2620 B10R1.10 [13CH3]OCc1ccnc(c1)Br 34a_100009814636_200025704644 [0,1,0,0,0,1|1,1,0]=4 2621 B10R1.10 [13CH3]OCc1ccnc(c1)Br 7a_100009814636_200025704644 [0,1,0,0,0,1|1,1,0]=4 2622 B10R1.10 [13CH3]OCc1ccnc(c1)Cl 34a_100000748751_200025704644 [0,1,0,0,0,1|1,1,0]=4 2623 B10R1.10 [13CH3]OCc1ccnc(c1)F 34a_100000082451_200025704644 [0,1,0,0,0,1|1,1,0]=4 2624 B10R1.10 [13CH3]OCc1cncc(c1)Br 34a_100011259137_200025704644 [0,1,0,0,0,1|1,1,0]=4 2625 B10R1.10 [13CH3]OCc1cncc(c1)Br 7a_100011259137_200025704644 [0,1,0,0,0,1|1,1,0]=4 2626 B10R1.10 [13CH3]OCc1cncc(c1)Cl 34a_100000092867_200025704644 [0,1,0,0,0,1|1,1,0]=4 2627 B10R1.10 [13CH3]OCc1cncc(c1)Cl 7a_100000092867_200025704644 [0,1,0,0,0,1|1,1,0]=4 2628 B10R1.10 [13CH3]OCc1cncc(c1)F 34a_100011962875_200025704644 [0,1,0,0,0,1|1,1,0]=4 2629 B10R1.10 [13CH3]OCc1cncc(c1)F 7a_100011962875_200025704644 [0,1,0,0,0,1|1,1,0]=4 2630 B10R1.10 [13CH3]OCc1cncc(c1)N 34a_100000085308_200025704644 [0,1,0,0,0,1|1,1,0]=4 2631 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_100010173614_200025704644 [0,1,0,0,0,1|1,0,0]=3 2632 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_200025704644_100010173614 [0,1,0,0,0,1|1,0,0]=3 2633 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_100016988179_200025704644 [0,1,0,0,0,1|1,0,0]=3 2634 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_200025704644_100016988179 [0,1,0,0,0,1|1,0,0]=3 2635 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [0,1,0,0,0,1|1,0,0]=3 2636 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [0,1,0,0,0,1|1,0,0]=3 2637 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [0,1,0,0,0,1|1,0,0]=3 2638 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [0,1,0,0,0,1|1,0,0]=3 2639 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [0,1,0,0,0,1|1,0,0]=3 2640 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [0,1,0,0,0,1|1,0,0]=3 2641 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [0,1,0,0,0,1|1,0,0]=3 2642 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [0,1,0,0,0,1|1,0,0]=3 2643 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [0,1,0,0,0,1|1,0,0]=3 2644 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [0,1,0,0,0,1|1,0,0]=3 2645 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_100009889011_200025704644 [0,1,0,0,0,1|1,0,0]=3 2646 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_200025704644_100009889011 [0,1,0,0,0,1|1,0,0]=3 2647 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_100000086093_200025704644 [0,1,0,0,0,1|1,0,0]=3 2648 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_200025704644_100000086093 [0,1,0,0,0,1|1,0,0]=3 2649 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_100009819644_200025704644 [0,1,0,0,0,1|1,0,0]=3 2650 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_200025704644_100009819644 [0,1,0,0,0,1|1,0,0]=3 2651 B10R1.10 [13CH3]SCc1ccnc(c1)Br 62a_100010254460_200025704644 [0,1,0,0,0,1|1,0,0]=3 2652 B10R1.10 [13CH3]SCc1ccnc(c1)Br 62a_200025704644_100010243470 [0,1,0,0,0,1|1,0,0]=3 2653 B10R1.10 [13CH3]SCc1ccnc(c1)Cl 62a_100000764220_200025704644 [0,1,0,0,0,1|1,0,0]=3 2654 B10R1.10 [13CH3]SCc1ccnc(c1)Cl 62a_200025704644_100000764220 [0,1,0,0,0,1|1,0,0]=3 2655 B10R1.10 [13CH3]SCc1ccnc(n1)Cl 62a_100000099655_200025704644 [0,1,0,0,0,1|1,0,0]=3 2656 B10R1.10 [13CH3]SCc1ccnc(n1)Cl 62a_200025704644_100000099655 [0,1,0,0,0,1|1,0,0]=3 2657 B10R1.10 [13CH3]SCc1cncc(c1)Br 62a_100000738771_200025704644 [0,1,0,0,0,1|1,0,0]=3 2658 B10R1.10 [13CH3]SCc1cncc(c1)Br 62a_200025704644_100000738771 [0,1,0,0,0,1|1,0,0]=3 2659 B10R1.10 [13CH3]SCc1cncc(c1)Cl 62a_100016992070_200025704644 [0,1,0,0,0,1|1,0,0]=3 2660 B10R1.10 [13CH3]SCc1cncc(c1)Cl 62a_200025704644_100016992070 [0,1,0,0,0,1|1,0,0]=3 2661 B10R1.10 [13CH3]SCc1cncc(c1)F 62a_100000725299_200025704644 [0,1,0,0,0,1|1,0,0]=3 2662 B10R1.10 [13CH3]SCc1cncc(c1)F 62a_200025704644_100000725299 [0,1,0,0,0,1|1,0,0]=3 2663 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,1,0,0,0,1|2,0,0]=4 2664 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,1,0,0,0,1|2,0,0]=4 2665 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,1,0,0,0,1|2,0,0]=4 2666 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [0,1,0,0,0,1|2,0,0]=4 2667 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,1,0,0,0,1|1,0,0]=3 2668 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,1,0,0,0,1|1,0,0]=3 2669 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,1,0,0,0,1|1,0,0]=3 2670 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,1,0,0,0,1|1,0,0]=3 2671 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,1,0,0,0,1|2,0,0]=4 2672 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,1,0,0,0,1|2,0,0]=4 2673 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,1,0,0,0,1|2,0,0]=4 2674 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,1,0,0,0,1|2,0,0]=4 2675 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,1,0,0,0,1|2,0,0]=4 2676 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,1,0,0,0,1|2,0,0]=4 2677 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,1,0,0,0,1|2,0,0]=4 2678 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,1,0,0,0,1|2,0,0]=4 2679 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,1,0,0,0,1|2,0,0]=4 2680 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,1,0,0,0,1|2,0,0]=4 2681 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,1,0,0,0,1|2,0,0]=4 2682 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,1,0,0,0,1|2,0,0]=4 2683 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,1,0,0,0,1|2,0,0]=4 2684 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,1,0,0,0,1|2,0,0]=4 2685 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [0,1,0,0,0,1|2,0,0]=4 2686 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [0,1,0,0,0,1|2,0,0]=4 2687 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,1,0,0,0,1|2,0,0]=4 2688 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,1,0,0,0,1|2,0,0]=4 2689 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,1,0,0,0,1|1,1,0]=4 2690 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,1,0,0,0,1|1,1,0]=4 2691 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,1,0,0,0,1|1,1,0]=4 2692 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,1,0,0,0,1|1,0,0]=3 2693 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,1,0,0,0,1|1,0,0]=3 2694 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,1,0,0,0,1|1,0,0]=3 2695 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,1,0,0,0,1|1,0,0]=3 2696 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,1,0,0,0,1|2,0,0]=4 2697 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,1,0,0,0,1|2,0,0]=4 2698 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,1,0,0,0,1|1,1,0]=4 2699 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,1,0,0,0,1|1,1,0]=4 2700 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,1,0,0,0,1|2,0,0]=4 2701 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,1,0,0,0,1|2,0,0]=4 2702 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,1,0,0,0,1|2,0,0]=4 2703 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,1,0,0,0,1|2,0,0]=4 2704 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,1,0,0,0,1|2,0,0]=4 2705 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,1,0,0,0,1|2,0,0]=4 2706 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,1,0,0,0,1|2,0,0]=4 2707 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,1,0,0,0,1|2,0,0]=4 2708 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,1,0,0,0,1|2,0,0]=4 2709 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,1,0,0,0,1|2,0,0]=4 2710 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,1,0,0,0,1|2,0,0]=4 2711 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 2712 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 2713 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,1,0,0,0,1|2,0,0]=4 2714 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,1,0,0,0,1|2,0,0]=4 2715 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,1,0,0,0,1|2,0,0]=4 2716 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,1,0,0,0,1|2,0,0]=4 2717 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,1,0,0,0,1|2,0,0]=4 2718 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,1,0,0,0,1|2,0,0]=4 2719 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,1,0,0,0,1|2,0,0]=4 2720 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,1,0,0,0,1|2,0,0]=4 2721 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,1,0,0,0,1|2,0,0]=4 2722 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,1,0,0,0,1|2,0,0]=4 2723 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,1,0,0,0,1|2,0,0]=4 2724 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,1,0,0,0,1|2,0,0]=4 2725 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,1,0,0,0,1|2,0,0]=4 2726 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,1,0,0,0,1|2,0,0]=4 2727 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,1,0,0,0,1|2,0,0]=4 2728 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,1,0,0,0,1|2,0,0]=4 2729 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,1,0,0,0,1|2,0,0]=4 2730 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,1,0,0,0,1|2,0,0]=4 2731 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,1,0,0,0,1|2,0,0]=4 2732 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,1,0,0,0,1|2,0,0]=4 2733 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,1,0,0,0,1|2,0,0]=4 2734 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,1,0,0,0,1|2,0,0]=4 2735 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,1,0,0,0,1|2,0,0]=4 2736 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,1,0,0,0,1|2,0,0]=4 2737 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,1,0,0,0,1|2,0,0]=4 2738 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 2739 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,1,0,0,0,1|2,0,0]=4 2740 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 2741 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,1,0,0,0,1|2,0,0]=4 2742 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,1,0,0,0,1|2,0,0]=4 2743 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,1,0,0,0,1|2,0,0]=4 2744 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,1,0,0,0,1|2,0,0]=4 2745 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,1,0,0,0,1|2,0,0]=4 2746 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,1,0,0,0,1|2,0,0]=4 2747 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,1,0,0,0,1|2,0,0]=4 2748 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,1,0,0,0,1|2,0,0]=4 2749 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,1,0,0,0,1|1,1,0]=4 2750 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,1,0,0,0,1|1,1,0]=4 2751 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,1,0,0,0,1|1,1,0]=4 2752 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,1,0,0,0,1|1,1,0]=4 2753 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,1,0,0,0,1|1,1,0]=4 2754 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,1,0,0,0,1|1,1,0]=4 2755 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,1,0,0,0,1|1,1,0]=4 2756 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [0,1,0,0,0,1|1,1,0]=4 2757 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,1,0,0,0,1|1,0,0]=3 2758 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,1,0,0,0,1|1,0,0]=3 2759 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,1,0,0,0,1|1,0,0]=3 2760 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,1,0,0,0,1|1,0,0]=3 2761 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,1,0,0,0,1|1,0,0]=3 2762 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,1,0,0,0,1|1,0,0]=3 2763 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,1,0,0,0,1|1,0,0]=3 2764 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,1,0,0,0,1|1,0,0]=3 2765 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,1,0,0,0,1|1,0,0]=3 2766 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,1,0,0,0,1|1,0,0]=3 2767 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,1,0,0,0,1|1,0,0]=3 2768 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,1,0,0,0,1|1,0,0]=3 2769 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [0,1,0,0,0,1|2,0,0]=4 2770 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [0,1,0,0,0,1|2,0,0]=4 2771 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,1,0,0,0,1|1,0,0]=3 2772 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,1,0,0,0,1|1,0,0]=3 2773 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,1,0,0,0,1|2,0,0]=4 2774 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,1,0,0,0,1|2,0,0]=4 2775 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,1,0,0,0,1|2,0,0]=4 2776 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,1,0,0,0,1|2,0,0]=4 2777 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,1,0,0,0,1|2,0,0]=4 2778 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,1,0,0,0,1|2,0,0]=4 2779 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,1,0,0,0,1|2,0,0]=4 2780 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,1,0,0,0,1|2,0,0]=4 2781 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,1,0,0,0,1|2,0,0]=4 2782 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,1,0,0,0,1|2,0,0]=4 2783 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,1,0,0,0,1|2,0,0]=4 2784 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,1,0,0,0,1|2,0,0]=4 2785 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,1,0,0,0,1|2,0,0]=4 2786 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,1,0,0,0,1|1,1,0]=4 2787 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,1,0,0,0,1|1,1,0]=4 2788 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,1,0,0,0,1|1,1,0]=4 2789 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,1,0,0,0,1|1,1,0]=4 2790 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,1,0,0,0,1|1,1,0]=4 2791 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,1,0,0,0,1|1,1,0]=4 2792 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,1,0,0,0,1|1,1,0]=4 2793 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,1,0,0,0,1|1,1,0]=4 2794 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,1,0,0,0,1|1,1,0]=4 2795 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,1,0,0,0,1|1,1,0]=4 2796 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,1,0,0,0,1|1,1,0]=4 2797 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,1,0,0,0,1|1,1,0]=4 2798 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,1,0,0,0,1|1,1,0]=4 2799 B10R1.17 COCSc1cccnn1 62a_100000766300_100016991348 [0,1,0,0,0,1|1,1,0]=4 2800 B10R1.17 COCSc1cccnn1 62a_100016991348_100000766300 [0,1,0,0,0,1|1,1,0]=4 2801 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,1,0,0,0,1|1,1,0]=4 2802 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,1,0,0,0,1|1,1,0]=4 2803 B10R1.17 COCSc1ccncn1 62a_100000703185_100000766300 [0,1,0,0,0,1|1,1,0]=4 2804 B10R1.17 COCSc1ccncn1 62a_100000766300_100000703185 [0,1,0,0,0,1|1,1,0]=4 2805 B10R1.17 COCSc1cnccn1 62a_100000211759_100000766300 [0,1,0,0,0,1|1,1,0]=4 2806 B10R1.17 COCSc1cnccn1 62a_100000766300_100000211759 [0,1,0,0,0,1|1,1,0]=4 2807 B10R1.17 COCSc1ncccn1 62a_100000211032_100000766300 [0,1,0,0,0,1|1,1,0]=4 2808 B10R1.17 COCSc1ncccn1 62a_100000766300_100000211032 [0,1,0,0,0,1|1,1,0]=4 2809 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,1,0,0,0,1|1,0,0]=3 2810 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,1,0,0,0,1|1,0,0]=3 2811 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,1,0,0,0,1|1,0,0]=3 2812 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,1,0,0,0,1|1,0,0]=3 2813 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,1,0,0,0,1|1,0,0]=3 2814 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,1,0,0,0,1|1,0,0]=3 2815 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,1,0,0,0,1|1,0,0]=3 2816 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,1,0,0,0,1|1,0,0]=3 2817 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,1,0,0,0,1|1,0,0]=3 2818 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,1,0,0,0,1|1,0,0]=3 2819 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,1,0,0,0,1|1,0,0]=3 2820 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,1,0,0,0,1|1,0,0]=3 2821 B10R1.17 CSCOc1ccnnc1 34a_100015204005_100011218213 [0,1,0,0,0,1|2,0,0]=4 2822 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,1,0,0,0,1|1,0,0]=3 2823 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,1,0,0,0,1|1,0,0]=3 2824 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,1,0,0,0,1|1,0,0]=3 2825 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,1,0,0,0,1|1,0,0]=3 2826 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,1,0,0,0,1|1,0,0]=3 2827 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,1,0,0,0,1|1,0,0]=3 2828 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,1,0,0,0,1|1,0,0]=3 2829 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,1,0,0,0,1|1,0,0]=3 2830 B10R1.17 CSCSc1cccnn1 62a_100011218213_100016991348 [0,1,0,0,0,1|1,0,0]=3 2831 B10R1.17 CSCSc1cccnn1 62a_100016991348_100011218213 [0,1,0,0,0,1|1,0,0]=3 2832 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,1,0,0,0,1|1,0,0]=3 2833 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,1,0,0,0,1|1,0,0]=3 2834 B10R1.17 CSCSc1ccncn1 62a_100000703185_100011218213 [0,1,0,0,0,1|1,0,0]=3 2835 B10R1.17 CSCSc1ccncn1 62a_100011218213_100000703185 [0,1,0,0,0,1|1,0,0]=3 2836 B10R1.17 CSCSc1ccnnc1 62a_100000732662_100011218213 [0,1,0,0,0,1|2,0,0]=4 2837 B10R1.17 CSCSc1ccnnc1 62a_100011218213_100000732662 [0,1,0,0,0,1|2,0,0]=4 2838 B10R1.17 CSCSc1cnccn1 62a_100000211759_100011218213 [0,1,0,0,0,1|1,0,0]=3 2839 B10R1.17 CSCSc1cnccn1 62a_100011218213_100000211759 [0,1,0,0,0,1|1,0,0]=3 2840 B10R1.17 CSCSc1cncnc1 62a_100011206942_100011218213 [0,1,0,0,0,1|2,0,0]=4 2841 B10R1.17 CSCSc1cncnc1 62a_100011218213_100011206942 [0,1,0,0,0,1|2,0,0]=4 2842 B10R1.17 CSCSc1ncccn1 62a_100000211032_100011218213 [0,1,0,0,0,1|1,0,0]=3 2843 B10R1.17 CSCSc1ncccn1 62a_100011218213_100000211032 [0,1,0,0,0,1|1,0,0]=3 2844 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,1,0,0,0,1|2,0,0]=4 2845 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,1,0,0,0,1|1,1,0]=4 2846 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,1,0,0,0,1|1,1,0]=4 2847 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,1,0,0,0,1|1,0,0]=3 2848 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,1,0,0,0,1|1,0,0]=3 2849 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,1,0,0,0,1|1,0,0]=3 2850 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,1,0,0,0,1|1,0,0]=3 2851 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,1,0,0,0,1|1,0,0]=3 2852 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,1,0,0,0,1|1,0,0]=3 2853 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,1,0,0,0,1|1,0,0]=3 2854 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,1,0,0,0,1|1,0,0]=3 2855 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,1,0,0,0,1|1,0,0]=3 2856 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,1,0,0,0,1|1,0,0]=3 2857 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,1,0,0,0,1|1,0,0]=3 2858 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,1,0,0,0,1|1,0,0]=3 2859 B10R1.17 FCSCc1cncnc1 62a_100015196519_100015361967 [0,1,0,0,0,1|2,0,0]=4 2860 B10R1.17 FCSCc1cncnc1 62a_100015361967_100015196519 [0,1,0,0,0,1|2,0,0]=4 2861 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [0,1,0,0,0,1|1,0,0]=3 2862 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [0,1,0,0,0,1|1,0,0]=3 2863 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,1,0,0,0,1|2,0,0]=4 2864 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,1,0,0,0,1|2,0,0]=4 2865 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,1,0,0,0,1|2,0,0]=4 2866 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,1,0,0,0,1|1,1,0]=4 2867 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,1,0,0,0,1|1,1,0]=4 2868 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,1,0,0,0,1|1,1,0]=4 2869 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,1,0,0,0,1|1,1,0]=4 2870 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,1,0,0,0,1|1,1,0]=4 2871 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,1,0,0,0,1|1,1,0]=4 2872 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,1,0,0,0,1|1,0,0]=3 2873 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,1,0,0,0,1|1,0,0]=3 2874 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,1,0,0,0,1|1,0,0]=3 2875 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,1,0,0,0,1|1,0,0]=3 2876 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,1,0,0,0,1|1,0,0]=3 2877 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,1,0,0,0,1|1,0,0]=3 2878 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,1,0,0,0,1|1,0,0]=3 2879 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,1,0,0,0,1|1,0,0]=3 2880 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,1,0,0,0,1|1,0,0]=3 2881 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,1,0,0,0,1|1,0,0]=3 2882 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,1,0,0,0,1|2,0,0]=4 2883 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,1,0,0,0,1|2,0,0]=4 2884 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,1,0,0,0,1|2,0,0]=4 2885 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,1,0,0,0,1|2,0,0]=4 2886 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,1,0,0,0,1|2,0,0]=4 2887 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,1,0,0,0,1|2,0,0]=4 2888 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,1,0,0,0,1|2,0,0]=4 2889 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,1,0,0,0,1|2,0,0]=4 2890 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,1,0,0,0,1|2,0,0]=4 2891 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,1,0,0,0,1|2,0,0]=4 2892 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,1,0,0,0,1|2,0,0]=4 2893 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,1,0,0,0,1|2,0,0]=4 2894 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,1,0,0,0,1|2,0,0]=4 2895 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,1,0,0,0,1|2,0,0]=4 2896 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,1,0,0,0,1|2,0,0]=4 2897 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,1,0,0,0,1|2,0,0]=4 2898 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,1,0,0,0,1|2,0,0]=4 2899 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,1,0,0,0,1|2,0,0]=4 2900 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,1,0,0,0,1|2,0,0]=4 2901 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,1,0,0,0,1|2,0,0]=4 2902 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,1,0,0,0,1|2,0,0]=4 2903 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,1,0,0,0,1|2,0,0]=4 2904 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,1,0,0,0,1|2,0,0]=4 2905 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,1,0,0,0,1|2,0,0]=4 2906 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [0,1,0,0,0,1|2,0,0]=4 2907 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [0,1,0,0,0,1|2,0,0]=4 2908 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [0,1,0,0,0,1|2,0,0]=4 2909 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [0,1,0,0,0,1|2,0,0]=4 2910 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [0,1,0,0,0,1|2,0,0]=4 2911 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [0,1,0,0,0,1|2,0,0]=4 2912 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [0,1,0,0,0,1|2,0,0]=4 2913 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [0,1,0,0,0,1|2,0,0]=4 2914 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [0,1,0,0,0,1|2,0,0]=4 2915 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [0,1,0,0,0,1|2,0,0]=4 2916 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [0,1,0,0,0,1|2,0,0]=4 2917 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [0,1,0,0,0,1|2,0,0]=4 2918 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [0,1,0,0,0,1|2,0,0]=4 2919 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [0,1,0,0,0,1|2,0,0]=4 2920 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [0,1,0,0,0,1|2,0,0]=4 2921 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,1,0,0,0,1|2,0,0]=4 2922 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,1,0,0,0,1|2,0,0]=4 2923 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,1,0,0,0,1|2,0,0]=4 2924 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,1,0,0,0,1|2,0,0]=4 2925 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,1,0,0,0,1|2,0,0]=4 2926 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,1,0,0,0,1|2,0,0]=4 2927 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [0,1,0,0,0,1|2,0,0]=4 2928 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [0,1,0,0,0,1|2,0,0]=4 2929 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [0,1,0,0,0,1|2,0,0]=4 2930 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [0,1,0,0,0,1|2,0,0]=4 2931 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [0,1,0,0,0,1|2,0,0]=4 2932 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [0,1,0,0,0,1|2,0,0]=4 2933 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,1,0,0,0,1|2,0,0]=4 2934 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,1,0,0,0,1|2,0,0]=4 2935 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 2230a_100159270200_200025704644 [0,2,0,0,0,0|1,1,0]=4 2936 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 34a_100159270200_200025704644 [0,2,0,0,0,0|1,1,0]=4 2937 B10R1.14 CC(N[13CH3])c1ccc(s1)Br 2230a_100102723530_200025704644 [0,2,0,0,0,0|1,1,0]=4 2938 B10R1.14 CC(N[13CH3])c1ccc(s1)Cl 2230a_100102723459_200025704644 [0,2,0,0,0,0|1,1,0]=4 2939 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,2,0,0,0,0|1,0,1]=4 2940 B10R1.14 CNC(C)c1cc(cs1)Br 2230a_100159270200_200000210301 [0,2,0,0,0,0|1,1,0]=4 2941 B10R1.14 CNC(C)c1cc(cs1)Br 269862a_106832991636_100000718618 [0,2,0,0,0,0|1,1,0]=4 2942 B10R1.14 CNC(C)c1cc(cs1)Br 34a_100159270200_200000210301 [0,2,0,0,0,0|1,1,0]=4 2943 B10R1.14 CNC(C)c1cc(cs1)C 269862a_106832991636_100000034720 [0,2,0,0,0,0|1,1,0]=4 2944 B10R1.14 CNC(C)c1cc(cs1)Cl 269862a_106832991636_100000061699 [0,2,0,0,0,0|1,1,0]=4 2945 B10R1.14 CNC(C)c1ccc([nH]1)Br 269862a_106832991636_200010494458 [0,2,0,0,0,0|2,0,0]=4 2946 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,2,0,0,0,0|1,0,0]=3 2947 B10R1.14 CNC(C)c1ccc(s1)Br 2230a_100102723530_200000210301 [0,2,0,0,0,0|1,1,0]=4 2948 B10R1.14 CNC(C)c1ccc(s1)Br 269862a_106832991636_100000183331 [0,2,0,0,0,0|1,1,0]=4 2949 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,2,0,0,0,0|1,1,0]=4 2950 B10R1.14 CNC(C)c1ccc(s1)Cl 2230a_100102723459_200000210301 [0,2,0,0,0,0|1,1,0]=4 2951 B10R1.14 CNC(C)c1ccc(s1)Cl 269862a_106832991636_100000182421 [0,2,0,0,0,0|1,1,0]=4 2952 B10R1.14 CNC(C)c1ccc(s1)I 269862a_106832991636_200000034408 [0,2,0,0,0,0|1,1,0]=4 2953 B10R1.14 CNC(C)c1nc(co1)C 270004a_106832991635_100009826828 [0,2,0,0,0,0|2,0,0]=4 2954 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,2,0,0,0,0|0,1,1]=4 2955 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,2,0,0,0,0|0,1,1]=4 2956 B10R1.14 CSC(C)c1nc(no1)C 270196a_100000212224_100000149566 [0,2,0,0,0,0|2,0,0]=4 2957 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,2,0,0,0,0|1,1,0]=4 2958 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,2,0,0,0,0|1,1,0]=4 2959 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,2,0,0,0,0|1,1,0]=4 2960 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [0,2,0,0,0,0|1,1,0]=4 2961 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [0,2,0,0,0,0|1,1,0]=4 2962 B10R1.16 CCCSc1ccc(s1)Br 62a_100000210303_100010197418 [0,2,0,0,0,0|1,1,0]=4 2963 B10R1.16 CCCSc1ccc(s1)Br 62a_100010197418_100000210303 [0,2,0,0,0,0|1,1,0]=4 2964 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,2,0,0,0,0|1,1,0]=4 2965 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,2,0,0,0,0|1,1,0]=4 2966 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [0,2,0,0,0,0|2,0,0]=4 2967 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [0,2,0,0,0,0|1,0,0]=3 2968 B10R1.16 CCNCc1cc(cs1)Br 207a_100015525214_100000211722 [0,2,0,0,0,0|1,1,0]=4 2969 B10R1.16 CCNCc1cc(cs1)Br 2230a_100000741024_100000210202 [0,2,0,0,0,0|1,1,0]=4 2970 B10R1.16 CCNCc1cc(cs1)Br 2230a_100015525214_100000746031 [0,2,0,0,0,0|1,1,0]=4 2971 B10R1.16 CCNCc1cc(cs1)Br 270004a_100015525214_100000211722 [0,2,0,0,0,0|1,1,0]=4 2972 B10R1.16 CCNCc1cc(cs1)Br 34a_100000741024_100000210202 [0,2,0,0,0,0|1,1,0]=4 2973 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [0,2,0,0,0,0|1,1,0]=4 2974 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [0,2,0,0,0,0|1,1,0]=4 2975 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [0,2,0,0,0,0|1,1,0]=4 2976 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [0,2,0,0,0,0|1,1,0]=4 2977 B10R1.16 CCNCc1cc(cs1)Cl 207a_100015525214_100000102487 [0,2,0,0,0,0|1,1,0]=4 2978 B10R1.16 CCNCc1cc(cs1)Cl 270004a_100015525214_100000102487 [0,2,0,0,0,0|1,1,0]=4 2979 B10R1.16 CCNCc1cc(cs1)I 207a_100015525214_100010179861 [0,2,0,0,0,0|1,1,0]=4 2980 B10R1.16 CCNCc1cc(no1)Br 2230a_100015193020_100000210202 [0,2,0,0,0,0|2,0,0]=4 2981 B10R1.16 CCNCc1cc(no1)Br 270004a_100015525214_100009819588 [0,2,0,0,0,0|2,0,0]=4 2982 B10R1.16 CCNCc1cc(no1)Br 34a_100015193020_100000210202 [0,2,0,0,0,0|2,0,0]=4 2983 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [0,2,0,0,0,0|2,0,0]=4 2984 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [0,2,0,0,0,0|2,0,0]=4 2985 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [0,2,0,0,0,0|2,0,0]=4 2986 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [0,2,0,0,0,0|2,0,0]=4 2987 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [0,2,0,0,0,0|2,0,0]=4 2988 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [0,2,0,0,0,0|1,0,0]=3 2989 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [0,2,0,0,0,0|1,0,0]=3 2990 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [0,2,0,0,0,0|1,0,0]=3 2991 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,2,0,0,0,0|1,0,0]=3 2992 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,2,0,0,0,0|1,0,0]=3 2993 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,2,0,0,0,0|1,0,0]=3 2994 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [0,2,0,0,0,0|1,0,0]=3 2995 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [0,2,0,0,0,0|1,0,0]=3 2996 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [0,2,0,0,0,0|1,0,0]=3 2997 B10R1.16 CCNCc1ccc(s1)Br 207a_100015525214_100000179771 [0,2,0,0,0,0|1,1,0]=4 2998 B10R1.16 CCNCc1ccc(s1)Br 2230a_100015525214_100000708592 [0,2,0,0,0,0|1,1,0]=4 2999 B10R1.16 CCNCc1ccc(s1)Br 270004a_100015525214_100000179771 [0,2,0,0,0,0|1,1,0]=4 3000 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,2,0,0,0,0|1,1,0]=4 3001 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,2,0,0,0,0|1,1,0]=4 3002 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,2,0,0,0,0|1,1,0]=4 3003 B10R1.16 CCNCc1ccc(s1)Cl 207a_100015525214_100000242774 [0,2,0,0,0,0|1,1,0]=4 3004 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100000737310_100000210202 [0,2,0,0,0,0|1,1,0]=4 3005 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100015525214_100000185097 [0,2,0,0,0,0|1,1,0]=4 3006 B10R1.16 CCNCc1ccc(s1)Cl 270004a_100015525214_100000242774 [0,2,0,0,0,0|1,1,0]=4 3007 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [0,2,0,0,0,0|2,0,0]=4 3008 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [0,2,0,0,0,0|2,0,0]=4 3009 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [0,2,0,0,0,0|2,0,0]=4 3010 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [0,2,0,0,0,0|2,0,0]=4 3011 B10R1.16 CCOCc1cc(cs1)Br 34a_100000238369_100000210202 [0,2,0,0,0,0|0,2,0]=4 3012 B10R1.16 CCOCc1cc(cs1)Br 34a_100121572206_100000746031 [0,2,0,0,0,0|0,2,0]=4 3013 B10R1.16 CCOCc1cc(cs1)Br 7a_100000238369_100000210202 [0,2,0,0,0,0|0,2,0]=4 3014 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [0,2,0,0,0,0|0,2,0]=4 3015 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [0,2,0,0,0,0|0,2,0]=4 3016 B10R1.16 CCOCc1cc(cs1)O 271570a_203496583355_100011542529 [0,2,0,0,0,0|0,2,0]=4 3017 B10R1.16 CCOCc1cc(no1)Br 34a_100009816691_100000210202 [0,2,0,0,0,0|1,1,0]=4 3018 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [0,2,0,0,0,0|1,1,0]=4 3019 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [0,2,0,0,0,0|1,1,0]=4 3020 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [0,2,0,0,0,0|0,1,0]=3 3021 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [0,2,0,0,0,0|0,1,0]=3 3022 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,2,0,0,0,0|0,1,0]=3 3023 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,2,0,0,0,0|0,1,0]=3 3024 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [0,2,0,0,0,0|0,2,0]=4 3025 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,2,0,0,0,0|0,2,0]=4 3026 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [0,2,0,0,0,0|0,2,0]=4 3027 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,2,0,0,0,0|2,0,0]=4 3028 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,2,0,0,0,0|2,0,0]=4 3029 B10R1.16 CCSCc1cc(cs1)Br 62a_100000210202_100000746031 [0,2,0,0,0,0|0,1,0]=3 3030 B10R1.16 CCSCc1cc(cs1)Br 62a_100000746031_100000210202 [0,2,0,0,0,0|0,1,0]=3 3031 B10R1.16 CCSCc1cc(no1)Br 62a_100000210202_100000709089 [0,2,0,0,0,0|1,0,0]=3 3032 B10R1.16 CCSCc1cc(no1)Br 62a_100000709089_100000210202 [0,2,0,0,0,0|1,0,0]=3 3033 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [0,2,0,0,0,0|1,0,0]=3 3034 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [0,2,0,0,0,0|1,0,0]=3 3035 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [0,2,0,0,0,0|2,0,0]=4 3036 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [0,2,0,0,0,0|2,0,0]=4 3037 B10R1.16 CCSCc1ccc(s1)Br 62a_100000210202_100000708592 [0,2,0,0,0,0|0,1,0]=3 3038 B10R1.16 CCSCc1ccc(s1)Br 62a_100000708592_100000210202 [0,2,0,0,0,0|0,1,0]=3 3039 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000185097_100000210202 [0,2,0,0,0,0|0,1,0]=3 3040 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000210202_100000185097 [0,2,0,0,0,0|0,1,0]=3 3041 B10R1.16 CCSCc1ccn(n1)C 62a_100000210202_100000726502 [0,2,0,0,0,0|2,0,0]=4 3042 B10R1.16 CCSCc1ccn(n1)C 62a_100000726502_100000210202 [0,2,0,0,0,0|2,0,0]=4 3043 B10R1.16 CCSCc1cn(cn1)C 62a_100000210202_100000717665 [0,2,0,0,0,0|2,0,0]=4 3044 B10R1.16 CCSCc1cn(cn1)C 62a_100000717665_100000210202 [0,2,0,0,0,0|2,0,0]=4 3045 B10R1.16 CCSCc1cnc(s1)Br 62a_100000210202_100000717027 [0,2,0,0,0,0|1,1,0]=4 3046 B10R1.16 CCSCc1cnc(s1)Br 62a_100000717027_100000210202 [0,2,0,0,0,0|1,1,0]=4 3047 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [0,2,0,0,0,0|1,1,0]=4 3048 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [0,2,0,0,0,0|1,1,0]=4 3049 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000058068_100000210202 [0,2,0,0,0,0|1,1,0]=4 3050 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000210202_100000058068 [0,2,0,0,0,0|1,1,0]=4 3051 B10R1.16 CCSCc1csc(n1)C 62a_100000210202_100015186478 [0,2,0,0,0,0|2,0,0]=4 3052 B10R1.16 CCSCc1csc(n1)C 62a_100015186478_100000210202 [0,2,0,0,0,0|2,0,0]=4 3053 B10R1.16 CCSCc1csc(n1)Cl 62a_100000024076_100000210202 [0,2,0,0,0,0|2,0,0]=4 3054 B10R1.16 CCSCc1csc(n1)Cl 62a_100000210202_100000024076 [0,2,0,0,0,0|2,0,0]=4 3055 B10R1.16 CCSCc1nc(no1)C 270196a_100000212224_100000230394 [0,2,0,0,0,0|2,0,0]=4 3056 B10R1.16 CCSCc1nc(no1)C 62a_100000210202_100000735555 [0,2,0,0,0,0|2,0,0]=4 3057 B10R1.16 CCSCc1nc(no1)C 62a_100000735555_100000210202 [0,2,0,0,0,0|2,0,0]=4 3058 B10R1.16 CCSCc1nnc(o1)C 62a_100000181450_100000210202 [0,2,0,0,0,0|2,0,0]=4 3059 B10R1.16 CCSCc1nnc(o1)C 62a_100000210202_100000181450 [0,2,0,0,0,0|2,0,0]=4 3060 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,2,0,0,0,0|1,0,0]=3 3061 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,2,0,0,0,0|1,0,0]=3 3062 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,2,0,0,0,0|1,1,0]=4 3063 B10R1.16 COCCc1cc(no1)Br 34a_100009816916_200000210301 [0,2,0,0,0,0|1,1,0]=4 3064 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,2,0,0,0,0|0,1,0]=3 3065 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,2,0,0,0,0|0,1,0]=3 3066 B10R1.16 COCSc1cc(cs1)C 62a_100000766300_100009876951 [0,2,0,0,0,0|0,2,0]=4 3067 B10R1.16 COCSc1cc(cs1)C 62a_100009876951_100000766300 [0,2,0,0,0,0|0,2,0]=4 3068 B10R1.16 COCSc1ccc(s1)Br 62a_100000766300_100010197418 [0,2,0,0,0,0|0,2,0]=4 3069 B10R1.16 COCSc1ccc(s1)Br 62a_100010197418_100000766300 [0,2,0,0,0,0|0,2,0]=4 3070 B10R1.16 COCSc1ccc(s1)C 62a_100000031368_100000766300 [0,2,0,0,0,0|0,2,0]=4 3071 B10R1.16 COCSc1ccc(s1)C 62a_100000766300_100000031368 [0,2,0,0,0,0|0,2,0]=4 3072 B10R1.16 CSCCc1csc(n1)C 62a_100000695623_200000210301 [0,2,0,0,0,0|2,0,0]=4 3073 B10R1.16 CSCCc1csc(n1)C 62a_200000210301_100000695623 [0,2,0,0,0,0|2,0,0]=4 3074 B10R1.16 CSCCc1nc(no1)C 270196a_100000212224_100000174002 [0,2,0,0,0,0|2,0,0]=4 3075 B10R1.16 CSCCn1cc(cn1)Cl 62a_100011353933_200000210301 [0,2,0,0,0,0|2,0,0]=4 3076 B10R1.16 CSCCn1cc(cn1)Cl 62a_200000210301_100011353933 [0,2,0,0,0,0|2,0,0]=4 3077 B10R1.16 CSCCn1ccc(n1)C 62a_200000210301_200011934056 [0,2,0,0,0,0|2,0,0]=4 3078 B10R1.16 CSCCn1ccc(n1)C 62a_200011934056_200000210301 [0,2,0,0,0,0|2,0,0]=4 3079 B10R1.16 CSCOc1ccn(n1)C 34a_100012642153_100011218213 [0,2,0,0,0,0|2,0,0]=4 3080 B10R1.16 CSCSc1c[nH]c(n1)C 62a_100009814057_100011218213 [0,2,0,0,0,0|2,0,0]=4 3081 B10R1.16 CSCSc1c[nH]c(n1)C 62a_100011218213_100009814057 [0,2,0,0,0,0|2,0,0]=4 3082 B10R1.16 CSCSc1cc([nH]n1)C 62a_100009819999_100011218213 [0,2,0,0,0,0|2,0,0]=4 3083 B10R1.16 CSCSc1cc([nH]n1)C 62a_100011218213_100009819999 [0,2,0,0,0,0|2,0,0]=4 3084 B10R1.16 CSCSc1cc([nH]n1)N 62a_100009822546_100011218213 [0,2,0,0,0,0|2,0,0]=4 3085 B10R1.16 CSCSc1cc([nH]n1)N 62a_100011218213_100009822546 [0,2,0,0,0,0|2,0,0]=4 3086 B10R1.16 CSCSc1cc(cs1)C 62a_100009876951_100011218213 [0,2,0,0,0,0|0,1,0]=3 3087 B10R1.16 CSCSc1cc(cs1)C 62a_100011218213_100009876951 [0,2,0,0,0,0|0,1,0]=3 3088 B10R1.16 CSCSc1cc(n[nH]1)Br 62a_100011218213_100160470719 [0,2,0,0,0,0|2,0,0]=4 3089 B10R1.16 CSCSc1cc(n[nH]1)Br 62a_100160470719_100011218213 [0,2,0,0,0,0|2,0,0]=4 3090 B10R1.16 CSCSc1cc(ns1)C 62a_100009815735_100011218213 [0,2,0,0,0,0|1,1,0]=4 3091 B10R1.16 CSCSc1cc(ns1)C 62a_100011218213_100009815735 [0,2,0,0,0,0|1,1,0]=4 3092 B10R1.16 CSCSc1cc(on1)C 62a_100000716708_100011218213 [0,2,0,0,0,0|2,0,0]=4 3093 B10R1.16 CSCSc1cc(on1)C 62a_100011218213_100000716708 [0,2,0,0,0,0|2,0,0]=4 3094 B10R1.16 CSCSc1ccc(s1)Br 62a_100010197418_100011218213 [0,2,0,0,0,0|0,1,0]=3 3095 B10R1.16 CSCSc1ccc(s1)Br 62a_100011218213_100010197418 [0,2,0,0,0,0|0,1,0]=3 3096 B10R1.16 CSCSc1ccc(s1)C 62a_100000031368_100011218213 [0,2,0,0,0,0|0,1,0]=3 3097 B10R1.16 CSCSc1ccc(s1)C 62a_100011218213_100000031368 [0,2,0,0,0,0|0,1,0]=3 3098 B10R1.16 CSCSc1ccn(n1)C 62a_100000752436_100011218213 [0,2,0,0,0,0|2,0,0]=4 3099 B10R1.16 CSCSc1ccn(n1)C 62a_100011218213_100000752436 [0,2,0,0,0,0|2,0,0]=4 3100 B10R1.16 CSCSc1cn(cn1)C 62a_100000040308_100011218213 [0,2,0,0,0,0|2,0,0]=4 3101 B10R1.16 CSCSc1cn(cn1)C 62a_100011218213_100000040308 [0,2,0,0,0,0|2,0,0]=4 3102 B10R1.16 CSCSc1cnc(s1)Br 62a_100011218213_100012357534 [0,2,0,0,0,0|1,1,0]=4 3103 B10R1.16 CSCSc1cnc(s1)Br 62a_100012357534_100011218213 [0,2,0,0,0,0|1,1,0]=4 3104 B10R1.16 CSCSc1cnc(s1)C 62a_100000764884_100011218213 [0,2,0,0,0,0|1,1,0]=4 3105 B10R1.16 CSCSc1cnc(s1)C 62a_100011218213_100000764884 [0,2,0,0,0,0|1,1,0]=4 3106 B10R1.16 CSCSc1cnc(s1)N 62a_100000718969_100011218213 [0,2,0,0,0,0|1,1,0]=4 3107 B10R1.16 CSCSc1cnc(s1)N 62a_100011218213_100000718969 [0,2,0,0,0,0|1,1,0]=4 3108 B10R1.16 CSCSc1csc(c1)C 62a_100000759034_100011218213 [0,2,0,0,0,0|2,0,0]=4 3109 B10R1.16 CSCSc1csc(c1)C 62a_100011218213_100000759034 [0,2,0,0,0,0|2,0,0]=4 3110 B10R1.16 CSCSc1csc(n1)C 62a_100011218213_100011934587 [0,2,0,0,0,0|2,0,0]=4 3111 B10R1.16 CSCSc1csc(n1)C 62a_100011934587_100011218213 [0,2,0,0,0,0|2,0,0]=4 3112 B10R1.16 CSCSc1csc(n1)N 62a_100011218213_100011998049 [0,2,0,0,0,0|2,0,0]=4 3113 B10R1.16 CSCSc1csc(n1)N 62a_100011998049_100011218213 [0,2,0,0,0,0|2,0,0]=4 3114 B10R1.16 CSCSc1nc(c[nH]1)C 62a_100011218213_100161115468 [0,2,0,0,0,0|2,0,0]=4 3115 B10R1.16 CSCSc1nc(c[nH]1)C 62a_100161115468_100011218213 [0,2,0,0,0,0|2,0,0]=4 3116 B10R1.16 CSCSc1nc(cs1)Br 62a_100011218213_200016082925 [0,2,0,0,0,0|1,1,0]=4 3117 B10R1.16 CSCSc1nc(cs1)Br 62a_200016082925_100011218213 [0,2,0,0,0,0|1,1,0]=4 3118 B10R1.16 CSCSc1nc(cs1)C 62a_100011218213_100011291629 [0,2,0,0,0,0|1,1,0]=4 3119 B10R1.16 CSCSc1nc(cs1)C 62a_100011291629_100011218213 [0,2,0,0,0,0|1,1,0]=4 3120 B10R1.16 CSCSc1nc(cs1)N 62a_100011218213_200015188442 [0,2,0,0,0,0|1,1,0]=4 3121 B10R1.16 CSCSc1nc(cs1)N 62a_200015188442_100011218213 [0,2,0,0,0,0|1,1,0]=4 3122 B10R1.16 CSCSc1ncc(s1)C 62a_100000690809_100011218213 [0,2,0,0,0,0|1,1,0]=4 3123 B10R1.16 CSCSc1ncc(s1)C 62a_100011218213_100000690809 [0,2,0,0,0,0|1,1,0]=4 3124 B10R1.16 CSCSc1nnc(o1)C 62a_100011218213_100000708914 [0,2,0,0,0,0|2,0,0]=4 3125 B10R1.16 Cc1cc(no1)CSCF 62a_100000199038_100015361967 [0,2,0,0,0,0|2,0,0]=4 3126 B10R1.16 Cc1cc(no1)CSCF 62a_100015361967_100000199038 [0,2,0,0,0,0|2,0,0]=4 3127 B10R1.16 Cc1cc(on1)CNCF 34a_100000745748_100015361967 [0,2,0,0,0,0|2,0,0]=4 3128 B10R1.16 Cc1cc(on1)COCF 34a_100000684692_100015361967 [0,2,0,0,0,0|1,1,0]=4 3129 B10R1.16 Cc1cc(on1)CSCF 62a_100000707947_100015361967 [0,2,0,0,0,0|1,0,0]=3 3130 B10R1.16 Cc1cc(on1)CSCF 62a_100015361967_100000707947 [0,2,0,0,0,0|1,0,0]=3 3131 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,2,0,0,0,0|1,0,0]=3 3132 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,2,0,0,0,0|1,0,0]=3 3133 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,2,0,0,0,0|0,1,0]=3 3134 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,2,0,0,0,0|0,1,0]=3 3135 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [0,2,0,0,0,0|1,0,0]=3 3136 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [0,2,0,0,0,0|0,1,0]=3 3137 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [0,2,0,0,0,0|0,1,0]=3 3138 B10R1.16 Cc1ccc(s1)COCF 34a_100000238367_100015361967 [0,2,0,0,0,0|0,2,0]=4 3139 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200011934056_200025704644 [0,2,0,0,0,0|2,0,0]=4 3140 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200025704644_200011934056 [0,2,0,0,0,0|2,0,0]=4 3141 B10R1.16 Cc1cnc(o1)CNCF 34a_100138411809_100015361967 [0,2,0,0,0,0|2,0,0]=4 3142 B10R1.16 Cc1csc(c1)CNCF 34a_100015204214_100015361967 [0,2,0,0,0,0|1,1,0]=4 3143 B10R1.16 Cc1csc(c1)COCF 34a_200000068372_100015361967 [0,2,0,0,0,0|0,2,0]=4 3144 B10R1.16 Cc1csc(c1)COCF 7a_200000068372_100015361967 [0,2,0,0,0,0|0,2,0]=4 3145 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_100000695623_200025704644 [0,2,0,0,0,0|2,0,0]=4 3146 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_200025704644_100000695623 [0,2,0,0,0,0|2,0,0]=4 3147 B10R1.16 Cc1nc(cs1)CSCF 62a_100015186478_100015361967 [0,2,0,0,0,0|2,0,0]=4 3148 B10R1.16 Cc1nc(cs1)CSCF 62a_100015361967_100015186478 [0,2,0,0,0,0|2,0,0]=4 3149 B10R1.16 Cc1ncc(s1)CSCF 62a_100015361967_100020635045 [0,2,0,0,0,0|1,1,0]=4 3150 B10R1.16 Cc1ncc(s1)CSCF 62a_100020635045_100015361967 [0,2,0,0,0,0|1,1,0]=4 3151 B10R1.16 Cc1nnc(o1)CSCF 62a_100000181450_100015361967 [0,2,0,0,0,0|2,0,0]=4 3152 B10R1.16 Cc1nnc(o1)CSCF 62a_100015361967_100000181450 [0,2,0,0,0,0|2,0,0]=4 3153 B10R1.16 Cc1noc(n1)CSCF 62a_100000735555_100015361967 [0,2,0,0,0,0|2,0,0]=4 3154 B10R1.16 Cc1noc(n1)CSCF 62a_100015361967_100000735555 [0,2,0,0,0,0|2,0,0]=4 3155 B10R1.16 Cn1ccc(n1)CSCF 62a_100000726502_100015361967 [0,2,0,0,0,0|2,0,0]=4 3156 B10R1.16 Cn1ccc(n1)CSCF 62a_100015361967_100000726502 [0,2,0,0,0,0|2,0,0]=4 3157 B10R1.16 Cn1cnc(c1)CSCF 62a_100000717665_100015361967 [0,2,0,0,0,0|2,0,0]=4 3158 B10R1.16 Cn1cnc(c1)CSCF 62a_100015361967_100000717665 [0,2,0,0,0,0|2,0,0]=4 3159 B10R1.16 FCNCc1cc(cs1)Br 34a_100000741024_100015361967 [0,2,0,0,0,0|1,1,0]=4 3160 B10R1.16 FCNCc1cc(no1)Br 34a_100015193020_100015361967 [0,2,0,0,0,0|2,0,0]=4 3161 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [0,2,0,0,0,0|1,0,0]=3 3162 B10R1.16 FCOCc1cc(cs1)Br 34a_100000238369_100015361967 [0,2,0,0,0,0|0,2,0]=4 3163 B10R1.16 FCOCc1cc(cs1)Br 7a_100000238369_100015361967 [0,2,0,0,0,0|0,2,0]=4 3164 B10R1.16 FCOCc1cc(no1)Br 34a_100009816691_100015361967 [0,2,0,0,0,0|1,1,0]=4 3165 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [0,2,0,0,0,0|0,1,0]=3 3166 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [0,2,0,0,0,0|0,1,0]=3 3167 B10R1.16 FCSCc1cc(cs1)Br 62a_100000746031_100015361967 [0,2,0,0,0,0|0,1,0]=3 3168 B10R1.16 FCSCc1cc(cs1)Br 62a_100015361967_100000746031 [0,2,0,0,0,0|0,1,0]=3 3169 B10R1.16 FCSCc1cc(no1)Br 62a_100000709089_100015361967 [0,2,0,0,0,0|1,0,0]=3 3170 B10R1.16 FCSCc1cc(no1)Br 62a_100015361967_100000709089 [0,2,0,0,0,0|1,0,0]=3 3171 B10R1.16 FCSCc1ccc(s1)Br 62a_100000708592_100015361967 [0,2,0,0,0,0|0,1,0]=3 3172 B10R1.16 FCSCc1ccc(s1)Br 62a_100015361967_100000708592 [0,2,0,0,0,0|0,1,0]=3 3173 B10R1.16 FCSCc1ccc(s1)Cl 62a_100000185097_100015361967 [0,2,0,0,0,0|0,1,0]=3 3174 B10R1.16 FCSCc1ccc(s1)Cl 62a_100015361967_100000185097 [0,2,0,0,0,0|0,1,0]=3 3175 B10R1.16 FCSCc1cnc(s1)Br 62a_100000717027_100015361967 [0,2,0,0,0,0|1,1,0]=4 3176 B10R1.16 FCSCc1cnc(s1)Br 62a_100015361967_100000717027 [0,2,0,0,0,0|1,1,0]=4 3177 B10R1.16 FCSCc1cnc(s1)Cl 62a_100000058068_100015361967 [0,2,0,0,0,0|1,1,0]=4 3178 B10R1.16 FCSCc1cnc(s1)Cl 62a_100015361967_100000058068 [0,2,0,0,0,0|1,1,0]=4 3179 B10R1.16 FCSCc1csc(n1)Cl 62a_100000024076_100015361967 [0,2,0,0,0,0|2,0,0]=4 3180 B10R1.16 FCSCc1csc(n1)Cl 62a_100015361967_100000024076 [0,2,0,0,0,0|2,0,0]=4 3181 B10R1.16 O=C1C=C(CO1)CSCF 62a_100000716558_100015361967 [0,2,0,0,0,0|2,0,0]=4 3182 B10R1.16 O=C1C=C(CO1)CSCF 62a_100015361967_100000716558 [0,2,0,0,0,0|2,0,0]=4 3183 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,2,0,0,0,0|1,1,0]=4 3184 B10R1.16 [13CH3]OCCc1cc(no1)Br 34a_100009816916_200025704644 [0,2,0,0,0,0|1,1,0]=4 3185 B10R1.16 [13CH3]SCCn1cc(cn1)Cl 62a_100011353933_200025704644 [0,2,0,0,0,0|2,0,0]=4 3186 B10R1.16 [13CH3]SCCn1cc(cn1)Cl 62a_200025704644_100011353933 [0,2,0,0,0,0|2,0,0]=4 3187 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,2,0,0,0,0|1,1,0]=4 3188 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,2,0,0,0,0|1,1,0]=4 3189 B10R1.54 CC(=O)Cc1cc(no1)Br 1458a_100000070787_100000709089 [0,2,0,0,0,0|2,0,0]=4 3190 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,2,0,0,0,0|2,0,0]=4 3191 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,2,0,0,0,0|2,0,0]=4 3192 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,2,0,0,0,0|1,1,0]=4 3193 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,2,0,0,0,0|1,1,0]=4 3194 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,2,0,0,0,0|1,1,0]=4 3195 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,2,0,0,0,0|1,1,0]=4 3196 B10R1.54 CN(C)Cc1cc(c[nH]1)Br 270004a_100102631434_100000720742 [0,2,0,0,0,0|2,0,0]=4 3197 B10R1.54 CN(C)Cc1cc(co1)Br 270004a_100102631434_100000747035 [0,2,0,0,0,0|1,0,0]=3 3198 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100000207611_200000210301 [0,2,0,0,0,0|1,1,0]=4 3199 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100102631434_100000746031 [0,2,0,0,0,0|1,1,0]=4 3200 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100000207611_200000210301 [0,2,0,0,0,0|1,1,0]=4 3201 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100102631434_100000746031 [0,2,0,0,0,0|1,1,0]=4 3202 B10R1.54 CN(C)Cc1cc(cs1)Br 270004a_100102631434_100000211722 [0,2,0,0,0,0|1,1,0]=4 3203 B10R1.54 CN(C)Cc1cc(cs1)Cl 270004a_100102631434_100000102487 [0,2,0,0,0,0|1,1,0]=4 3204 B10R1.54 CN(C)Cc1cc(no1)Br 269982a_100102631434_100000709089 [0,2,0,0,0,0|2,0,0]=4 3205 B10R1.54 CN(C)Cc1cc(no1)Br 270004a_100102631434_100009819588 [0,2,0,0,0,0|2,0,0]=4 3206 B10R1.54 CN(C)Cc1ccc(o1)Br 2230a_100000207588_200000210301 [0,2,0,0,0,0|1,0,0]=3 3207 B10R1.54 CN(C)Cc1ccc(o1)Br 269982a_100000207588_200000210301 [0,2,0,0,0,0|1,0,0]=3 3208 B10R1.54 CN(C)Cc1ccc(o1)Br 270004a_100102631434_100000185145 [0,2,0,0,0,0|1,0,0]=3 3209 B10R1.54 CN(C)Cc1ccc(o1)Cl 270004a_100102631434_100000188459 [0,2,0,0,0,0|1,0,0]=3 3210 B10R1.54 CN(C)Cc1ccc(s1)Br 2230a_100102631434_100000708592 [0,2,0,0,0,0|1,1,0]=4 3211 B10R1.54 CN(C)Cc1ccc(s1)Br 269982a_100102631434_100000708592 [0,2,0,0,0,0|1,1,0]=4 3212 B10R1.54 CN(C)Cc1ccc(s1)Br 270004a_100102631434_100000179771 [0,2,0,0,0,0|1,1,0]=4 3213 B10R1.54 CN(C)Cc1ccc(s1)Cl 2230a_100102631434_100000185097 [0,2,0,0,0,0|1,1,0]=4 3214 B10R1.54 CN(C)Cc1ccc(s1)Cl 269982a_100102631434_100000185097 [0,2,0,0,0,0|1,1,0]=4 3215 B10R1.54 CN(C)Cc1ccc(s1)Cl 270004a_100102631434_100000242774 [0,2,0,0,0,0|1,1,0]=4 3216 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 2230a_100000207611_200025704644 [0,2,0,0,0,0|1,1,0]=4 3217 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 269982a_100000207611_200025704644 [0,2,0,0,0,0|1,1,0]=4 3218 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 2230a_100000207588_200025704644 [0,2,0,0,0,0|1,0,0]=3 3219 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 269982a_100000207588_200025704644 [0,2,0,0,0,0|1,0,0]=3 3220 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,2,0,0,0,0|2,0,0]=4 3221 B10R1.54 Cc1cc(on1)CN(C)C 2230a_100102631434_100000707947 [0,2,0,0,0,0|2,0,0]=4 3222 B10R1.54 Cc1cc(on1)CN(C)C 269982a_100102631434_100000707947 [0,2,0,0,0,0|2,0,0]=4 3223 B10R1.54 Cc1cc(on1)CN(C)C 270004a_100102631434_100011794430 [0,2,0,0,0,0|2,0,0]=4 3224 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,2,0,0,0,0|1,0,0]=3 3225 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,2,0,0,0,0|1,0,0]=3 3226 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,2,0,0,0,0|1,0,0]=3 3227 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,2,0,0,0,0|1,0,0]=3 3228 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,2,0,0,0,0|1,0,0]=3 3229 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,2,0,0,0,0|1,0,0]=3 3230 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,2,0,0,0,0|1,0,0]=3 3231 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,2,0,0,0,0|1,1,0]=4 3232 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,2,0,0,0,0|1,1,0]=4 3233 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,2,0,0,0,0|1,1,0]=4 3234 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,2,0,0,0,0|1,1,0]=4 3235 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,2,0,0,0,0|1,1,0]=4 3236 B10R1.54 Cc1csc(c1)CN(C)C 2230a_100011502060_200000210301 [0,2,0,0,0,0|1,1,0]=4 3237 B10R1.54 Cc1csc(c1)CN(C)C 269982a_100011502060_200000210301 [0,2,0,0,0,0|1,1,0]=4 3238 B10R1.54 Cc1csc(c1)CN(C)C 270004a_100102631434_100102525248 [0,2,0,0,0,0|1,1,0]=4 3239 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 2230a_100011502060_200025704644 [0,2,0,0,0,0|1,1,0]=4 3240 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 269982a_100011502060_200025704644 [0,2,0,0,0,0|1,1,0]=4 3241 B10R1.54 Cc1ncc(o1)CN(C)C 270004a_100102631434_100000084308 [0,2,0,0,0,0|2,0,0]=4 3242 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,2,0,0,0,0|1,1,0]=4 3243 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,2,0,0,0,0|1,1,0]=4 3244 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,2,0,0,0,0|1,1,0]=4 3245 B10R1.94 CNCc1ccc(n1C)C 34a_100000744627_200000210301 [0,2,0,0,0,0|2,0,0]=4 3246 B10R1.94 CNCc1scc(c1Br)Br 207a_100102657272_100012354027 [0,2,0,0,0,0|1,1,0]=4 3247 B10R1.94 Cc1ccc(n1C)CN[13CH3] 34a_100000744627_200025704644 [0,2,0,0,0,0|2,0,0]=4 3248 B10R1.96 C=Cc1ccc(o1)CNC 271570a_100011290941_100000207588 [0,2,0,0,0,0|1,0,0]=3 3249 B10R1.96 C=Cc1ccc(s1)CCC 271570a_100011290941_100010157708 [0,2,0,0,0,0|1,1,0]=4 3250 B10R1.96 C=Cc1csc(c1)CNC 271570a_100011290941_100000207611 [0,2,0,0,0,0|1,1,0]=4 3251 B10R1.96 C=Cc1csc(c1)COC 271570a_100011290941_100011542528 [0,2,0,0,0,0|0,2,0]=4 3252 B10R1.96 CC=Cc1ccc(o1)C#N 271570a_100016259895_100000764468 [0,2,0,0,0,0|1,0,1]=4 3253 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [0,2,0,0,0,0|1,0,1]=4 3254 B10R1.96 CC=Cc1ccc(o1)CN 271570a_100016259895_100000708654 [0,2,0,0,0,0|1,0,1]=4 3255 B10R1.96 CC=Cc1ccc(o1)CO 271570a_100016259895_100000246276 [0,2,0,0,0,0|1,0,1]=4 3256 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,2,0,0,0,0|1,1,0]=4 3257 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,2,0,0,0,0|1,1,0]=4 3258 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,2,0,0,0,0|1,1,0]=4 3259 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,2,0,0,0,0|1,1,0]=4 3260 B10R1.96 CCSc1ccc(o1)C#N 62a_100000210202_100000764468 [0,2,0,0,0,0|2,0,0]=4 3261 B10R1.96 CCSc1ccc(o1)C=O 62a_100000210202_100000186757 [0,2,0,0,0,0|2,0,0]=4 3262 B10R1.96 CCSc1ccc(o1)CN 62a_100000210202_100000708654 [0,2,0,0,0,0|2,0,0]=4 3263 B10R1.96 CCSc1ccc(o1)CO 62a_100000210202_100000246276 [0,2,0,0,0,0|2,0,0]=4 3264 B10R1.96 CCSc1ccc(o1)CO 62a_100000246276_100000210202 [0,2,0,0,0,0|2,0,0]=4 3265 B10R1.96 CCc1cc(on1)CNC 207a_100102657272_100000118199 [0,2,0,0,0,0|2,0,0]=4 3266 B10R1.96 CCc1cc(on1)CNC 2230a_106832991635_100012000519 [0,2,0,0,0,0|2,0,0]=4 3267 B10R1.96 CCc1cc(on1)CNC 270004a_106832991635_100000118199 [0,2,0,0,0,0|2,0,0]=4 3268 B10R1.96 CCc1cc(on1)CNC 34a_100102657272_100012000519 [0,2,0,0,0,0|2,0,0]=4 3269 B10R1.96 CCc1cc(on1)CNC 7a_106832991635_100012000519 [0,2,0,0,0,0|2,0,0]=4 3270 B10R1.96 CCc1cc(on1)COC 34a_100012002152_200000210301 [0,2,0,0,0,0|1,1,0]=4 3271 B10R1.96 CCc1cc(on1)COC 34a_100138415774_100012000519 [0,2,0,0,0,0|1,1,0]=4 3272 B10R1.96 CCc1cc(on1)CO[13CH3] 34a_100012002152_200025704644 [0,2,0,0,0,0|1,1,0]=4 3273 B10R1.96 CCc1cc(on1)CSC 62a_100012000519_200000210301 [0,2,0,0,0,0|1,0,0]=3 3274 B10R1.96 CCc1cc(on1)CSC 62a_200000210301_100012000519 [0,2,0,0,0,0|1,0,0]=3 3275 B10R1.96 CCc1cc(on1)CS[13CH3] 62a_100012000519_200025704644 [0,2,0,0,0,0|1,0,0]=3 3276 B10R1.96 CCc1cc(on1)CS[13CH3] 62a_200025704644_100012000519 [0,2,0,0,0,0|1,0,0]=3 3277 B10R1.96 CCc1ccc(o1)CNC 207a_100102657272_100000743199 [0,2,0,0,0,0|1,0,0]=3 3278 B10R1.96 CCc1ccc(o1)CNC 270004a_106832991635_100000743199 [0,2,0,0,0,0|1,0,0]=3 3279 B10R1.96 CCc1ccc(s1)CNC 207a_100102657272_100000746206 [0,2,0,0,0,0|1,1,0]=4 3280 B10R1.96 CCc1ccc(s1)CNC 270004a_106832991635_100000746206 [0,2,0,0,0,0|1,1,0]=4 3281 B10R1.96 CCc1nc(cs1)CSC 62a_100020603300_200000210301 [0,2,0,0,0,0|2,0,0]=4 3282 B10R1.96 CCc1nc(cs1)CSC 62a_200000210301_100020603300 [0,2,0,0,0,0|2,0,0]=4 3283 B10R1.96 CCc1nc(cs1)CS[13CH3] 62a_100020603300_200025704644 [0,2,0,0,0,0|2,0,0]=4 3284 B10R1.96 CCc1nc(cs1)CS[13CH3] 62a_200025704644_100020603300 [0,2,0,0,0,0|2,0,0]=4 3285 B10R1.96 CCc1noc(n1)CSC 270196a_200000212204_100000184570 [0,2,0,0,0,0|2,0,0]=4 3286 B10R1.96 CCc1noc(n1)CSC 62a_100000735704_200000210301 [0,2,0,0,0,0|2,0,0]=4 3287 B10R1.96 CCc1noc(n1)CSC 62a_200000210301_100000735704 [0,2,0,0,0,0|2,0,0]=4 3288 B10R1.96 CCc1noc(n1)CS[13CH3] 62a_100000735704_200025704644 [0,2,0,0,0,0|2,0,0]=4 3289 B10R1.96 CCc1noc(n1)CS[13CH3] 62a_200025704644_100000735704 [0,2,0,0,0,0|2,0,0]=4 3290 B10R1.96 CCn1ccc(n1)CSC 62a_100000094151_200000210301 [0,2,0,0,0,0|2,0,0]=4 3291 B10R1.96 CCn1ccc(n1)CSC 62a_200000210301_100000094151 [0,2,0,0,0,0|2,0,0]=4 3292 B10R1.96 CCn1ccc(n1)CS[13CH3] 62a_100000094151_200025704644 [0,2,0,0,0,0|2,0,0]=4 3293 B10R1.96 CCn1ccc(n1)CS[13CH3] 62a_200025704644_100000094151 [0,2,0,0,0,0|2,0,0]=4 3294 B10R1.96 CNCc1cc(cs1)SC 62a_100000207611_200000210301 [0,2,0,0,0,0|1,1,0]=4 3295 B10R1.96 CNCc1cc(cs1)SC 62a_200000210301_100000207611 [0,2,0,0,0,0|1,1,0]=4 3296 B10R1.96 CNCc1cc(cs1)S[13CH3] 62a_100000207611_200025704644 [0,2,0,0,0,0|1,1,0]=4 3297 B10R1.96 CNCc1cc(cs1)S[13CH3] 62a_200025704644_100000207611 [0,2,0,0,0,0|1,1,0]=4 3298 B10R1.96 CNCc1ccc(o1)C#N 2230a_106832991635_100009822536 [0,2,0,0,0,0|1,0,0]=3 3299 B10R1.96 CNCc1ccc(o1)C#N 34a_100102657272_100009822536 [0,2,0,0,0,0|1,0,0]=3 3300 B10R1.96 CNCc1ccc(o1)C#N 7a_106832991635_100009822536 [0,2,0,0,0,0|1,0,0]=3 3301 B10R1.96 CNCc1ccc(o1)C=O 2230a_106832991635_200000079136 [0,2,0,0,0,0|1,0,0]=3 3302 B10R1.96 CNCc1ccc(o1)C=O 34a_100102657272_200000079136 [0,2,0,0,0,0|1,0,0]=3 3303 B10R1.96 CNCc1ccc(o1)C=O 7a_106832991635_200000079136 [0,2,0,0,0,0|1,0,0]=3 3304 B10R1.96 CNCc1ccc(o1)CO 207a_100102657272_100000758743 [0,2,0,0,0,0|1,0,0]=3 3305 B10R1.96 CNCc1ccc(o1)CO 270004a_106832991635_100000758743 [0,2,0,0,0,0|1,0,0]=3 3306 B10R1.96 CNCc1ccc(o1)SC 62a_200000210301_100000207588 [0,2,0,0,0,0|1,0,0]=3 3307 B10R1.96 CNCc1ccc(o1)S[13CH3] 62a_200025704644_100000207588 [0,2,0,0,0,0|1,0,0]=3 3308 B10R1.96 CNCc1ccc(s1)C#N 207a_100102657272_100000091605 [0,2,0,0,0,0|1,1,0]=4 3309 B10R1.96 CNCc1ccc(s1)C#N 2230a_106832991635_100010188212 [0,2,0,0,0,0|1,1,0]=4 3310 B10R1.96 CNCc1ccc(s1)C#N 34a_100102657272_100010188212 [0,2,0,0,0,0|1,1,0]=4 3311 B10R1.96 CNCc1ccc(s1)C#N 7a_106832991635_100010188212 [0,2,0,0,0,0|1,1,0]=4 3312 B10R1.96 CNCc1ccc(s1)SC 207a_100102657272_100000720245 [0,2,0,0,0,0|1,1,0]=4 3313 B10R1.96 CNCc1ccc(s1)SC 270004a_106832991635_100000720245 [0,2,0,0,0,0|1,1,0]=4 3314 B10R1.96 COCc1cc(cs1)SC 62a_100011542528_200000210301 [0,2,0,0,0,0|0,2,0]=4 3315 B10R1.96 COCc1cc(cs1)SC 62a_200000210301_100011542528 [0,2,0,0,0,0|0,2,0]=4 3316 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_100011542528_200025704644 [0,2,0,0,0,0|0,2,0]=4 3317 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_200025704644_100011542528 [0,2,0,0,0,0|0,2,0]=4 3318 B10R1.96 COCc1ccc(o1)C#N 34a_100138415774_100009822536 [0,2,0,0,0,0|0,1,0]=3 3319 B10R1.96 COCc1ccc(o1)C=O 34a_100138415774_200000079136 [0,2,0,0,0,0|0,1,0]=3 3320 B10R1.96 COCc1ccc(s1)C#N 34a_100138415774_100010188212 [0,2,0,0,0,0|0,2,0]=4 3321 B10R1.96 CSCc1ccc(o1)C#N 62a_200000210301_100009822536 [0,2,0,0,0,0|0,0,0]=2 3322 B10R1.96 CSCc1ccc(o1)C=O 62a_200000210301_200000079136 [0,2,0,0,0,0|0,0,0]=2 3323 B10R1.96 CSCc1ccc(s1)C#N 62a_200000210301_100010188212 [0,2,0,0,0,0|0,1,0]=3 3324 B10R1.96 CSCc1csc(c1)C=O 62a_100000070824_200000210301 [0,2,0,0,0,0|2,0,0]=4 3325 B10R1.96 CSCc1csc(c1)C=O 62a_200000210301_100000070824 [0,2,0,0,0,0|2,0,0]=4 3326 B10R1.96 CSCc1nc(no1)CF 270196a_200000032654_100000184570 [0,2,0,0,0,0|2,0,0]=4 3327 B10R1.96 [13CH3]SCc1ccc(o1)C#N 62a_200025704644_100009822536 [0,2,0,0,0,0|0,0,0]=2 3328 B10R1.96 [13CH3]SCc1ccc(o1)C=O 62a_200025704644_200000079136 [0,2,0,0,0,0|0,0,0]=2 3329 B10R1.96 [13CH3]SCc1ccc(s1)C#N 62a_200025704644_100010188212 [0,2,0,0,0,0|0,1,0]=3 3330 B10R1.96 [13CH3]SCc1csc(c1)C=O 62a_100000070824_200025704644 [0,2,0,0,0,0|2,0,0]=4 3331 B10R1.96 [13CH3]SCc1csc(c1)C=O 62a_200025704644_100000070824 [0,2,0,0,0,0|2,0,0]=4 3332 B10R1.130 CNCc1oc(nc1C)C 207a_100102657272_100000734261 [0,2,0,0,0,0|2,0,0]=4 3333 B10R1.130 CNCc1sc(cc1Br)C 207a_100102657272_100011361552 [0,2,0,0,0,0|1,1,0]=4 3334 B10R1.130 CNCc1sc(cc1Br)C 270004a_106832991635_100011361552 [0,2,0,0,0,0|1,1,0]=4 3335 B10R1.130 CNCc1sc(cc1Br)Cl 207a_100102657272_100021366026 [0,2,0,0,0,0|1,1,0]=4 3336 B10R1.130 CNCc1sc(cc1Br)Cl 270004a_106832991635_100021366026 [0,2,0,0,0,0|1,1,0]=4 3337 B10R1.130 CNCc1sc(cc1C)Br 207a_100102657272_100010221198 [0,2,0,0,0,0|1,1,0]=4 3338 B10R1.130 CNCc1sc(cc1C)Br 270004a_106832991635_100010221198 [0,2,0,0,0,0|1,1,0]=4 3339 B10R1.130 CNCc1sc(cc1Cl)Br 207a_100102657272_100015463987 [0,2,0,0,0,0|1,1,0]=4 3340 B10R1.130 CNCc1sc(cc1Cl)Br 270004a_106832991635_100015463987 [0,2,0,0,0,0|1,1,0]=4 3341 B10R1.130 CSCc1cc(nn1C)C 62a_100025716357_200000210301 [0,2,0,0,0,0|2,0,0]=4 3342 B10R1.130 CSCc1cc(nn1C)C 62a_200000210301_100025716357 [0,2,0,0,0,0|2,0,0]=4 3343 B10R1.130 CSCc1nn(cc1Br)C 62a_100009817083_200000210301 [0,2,0,0,0,0|2,0,0]=4 3344 B10R1.130 CSCc1nn(cc1Br)C 62a_200000210301_100009817083 [0,2,0,0,0,0|2,0,0]=4 3345 B10R1.130 CSCc1oc(=O)oc1C 62a_200000210301_100000068490 [0,2,0,0,0,0|1,0,0]=3 3346 B10R1.130 CSCc1sc(nc1Br)C 62a_100015664652_200000210301 [0,2,0,0,0,0|1,1,0]=4 3347 B10R1.130 CSCc1sc(nc1Br)C 62a_200000210301_100015664652 [0,2,0,0,0,0|1,1,0]=4 3348 B10R1.130 CSCc1sc(nc1C)C 62a_100000760948_200000210301 [0,2,0,0,0,0|1,1,0]=4 3349 B10R1.130 CSCc1sc(nc1C)C 62a_200000210301_100000760948 [0,2,0,0,0,0|1,1,0]=4 3350 B10R1.130 Cc1cc(n(n1)C)CS[13CH3] 62a_100025716357_200025704644 [0,2,0,0,0,0|2,0,0]=4 3351 B10R1.130 Cc1cc(n(n1)C)CS[13CH3] 62a_200025704644_100025716357 [0,2,0,0,0,0|2,0,0]=4 3352 B10R1.130 Cc1nc(c(s1)CS[13CH3])Br 62a_100015664652_200025704644 [0,2,0,0,0,0|1,1,0]=4 3353 B10R1.130 Cc1nc(c(s1)CS[13CH3])Br 62a_200025704644_100015664652 [0,2,0,0,0,0|1,1,0]=4 3354 B10R1.130 Cc1nc(c(s1)CS[13CH3])C 62a_100000760948_200025704644 [0,2,0,0,0,0|1,1,0]=4 3355 B10R1.130 Cc1nc(c(s1)CS[13CH3])C 62a_200025704644_100000760948 [0,2,0,0,0,0|1,1,0]=4 3356 B10R1.130 Cc1oc(=O)oc1CS[13CH3] 62a_200025704644_100000068490 [0,2,0,0,0,0|1,0,0]=3 3357 B10R1.130 Cn1cc(c(n1)CS[13CH3])Br 62a_100009817083_200025704644 [0,2,0,0,0,0|2,0,0]=4 3358 B10R1.130 Cn1cc(c(n1)CS[13CH3])Br 62a_200025704644_100009817083 [0,2,0,0,0,0|2,0,0]=4 3359 B10R1.131 CNCc1cc(c(o1)Br)Br 207a_100102657272_100000188521 [0,2,0,0,0,0|1,0,0]=3 3360 B10R1.131 CNCc1cc(c(o1)Br)Br 270004a_106832991635_100000188521 [0,2,0,0,0,0|1,0,0]=3 3361 B10R1.131 CNCc1cc(c(s1)Br)Br 207a_100102657272_100000763650 [0,2,0,0,0,0|1,1,0]=4 3362 B10R1.131 CNCc1cc(c(s1)Br)Br 270004a_106832991635_100000763650 [0,2,0,0,0,0|1,1,0]=4 3363 B10R1.131 CNCc1cc(c(s1)Br)C 207a_100102657272_100000761930 [0,2,0,0,0,0|1,1,0]=4 3364 B10R1.131 CNCc1cc(c(s1)Br)C 270004a_106832991635_100000761930 [0,2,0,0,0,0|1,1,0]=4 3365 B10R1.131 CNCc1cc(c(s1)C)Br 207a_100102657272_100000708457 [0,2,0,0,0,0|1,1,0]=4 3366 B10R1.131 CNCc1cc(c(s1)C)Br 270004a_106832991635_100000708457 [0,2,0,0,0,0|1,1,0]=4 3367 B10R1.131 CNCc1cc(c(s1)C)C 207a_100102657272_100011830369 [0,2,0,0,0,0|1,1,0]=4 3368 B10R1.131 CNCc1cc(c(s1)C)C 270004a_106832991635_100011830369 [0,2,0,0,0,0|1,1,0]=4 3369 B10R1.131 CSCc1cc(n(n1)C)C 62a_100000761402_200000210301 [0,2,0,0,0,0|2,0,0]=4 3370 B10R1.131 CSCc1cc(n(n1)C)C 62a_200000210301_100000761402 [0,2,0,0,0,0|2,0,0]=4 3371 B10R1.131 CSCc1nc(c(s1)C)C 62a_100000763442_200000210301 [0,2,0,0,0,0|1,1,0]=4 3372 B10R1.131 CSCc1nc(c(s1)C)C 62a_200000210301_100012347604 [0,2,0,0,0,0|1,1,0]=4 3373 B10R1.131 Cc1cc(nn1C)CS[13CH3] 62a_100000761402_200025704644 [0,2,0,0,0,0|2,0,0]=4 3374 B10R1.131 Cc1cc(nn1C)CS[13CH3] 62a_200025704644_100000761402 [0,2,0,0,0,0|2,0,0]=4 3375 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_100000763442_200025704644 [0,2,0,0,0,0|1,1,0]=4 3376 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_200025704644_100012347604 [0,2,0,0,0,0|1,1,0]=4 3377 B10R1.6 CC(C)(N[13CH3])c1cccs1 2230a_100000757009_200025704644 [0,2,0,0,0,0|1,1,0]=4 3378 B10R1.6 CC(C)(O[13CH3])c1cccs1 7a_100011410533_200025704644 [0,2,0,0,0,0|0,2,0]=4 3379 B10R1.6 CNC(C)(C)c1cccs1 2230a_100000757009_200000210301 [0,2,0,0,0,0|1,1,0]=4 3380 B10R1.6 CNS(=O)(=O)c1ccco1 270084a_100102657272_200000702926 [0,2,0,0,0,0|2,0,0]=4 3381 B10R1.6 CNS(=O)(=O)c1ccco1 274078a_100102657272_200000702926 [0,2,0,0,0,0|2,0,0]=4 3382 B10R1.6 COC(C)(C)c1cccs1 7a_100011410533_200000210301 [0,2,0,0,0,0|0,2,0]=4 3383 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,2,0,0,0,0|2,0,0]=4 3384 B10R1.9 CCC(NC)c1ccco1 2230a_100015202707_200000210301 [0,2,0,0,0,0|1,0,0]=3 3385 B10R1.9 CCC(NC)c1ccco1 269862a_106832991636_100000749595 [0,2,0,0,0,0|1,0,0]=3 3386 B10R1.9 CCC(NC)c1cccs1 2230a_100000743277_200000210301 [0,2,0,0,0,0|1,1,0]=4 3387 B10R1.9 CCC(NC)c1cccs1 269862a_106832991636_100000211688 [0,2,0,0,0,0|1,1,0]=4 3388 B10R1.9 CCC(N[13CH3])c1ccco1 2230a_100015202707_200025704644 [0,2,0,0,0,0|1,0,0]=3 3389 B10R1.9 CCC(N[13CH3])c1cccs1 2230a_100000743277_200025704644 [0,2,0,0,0,0|1,1,0]=4 3390 B10R1.9 CNC(CO)c1cccs1 2230a_100102422791_200000210301 [0,2,0,0,0,0|1,1,0]=4 3391 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [0,2,0,0,0,0|0,1,0]=3 3392 B10R1.9 [13CH3]NC(CO)c1cccs1 2230a_100102422791_200025704644 [0,2,0,0,0,0|1,1,0]=4 3393 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [0,2,0,0,0,0|0,1,0]=3 3394 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,2,0,0,0,0|2,0,0]=4 3395 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,2,0,0,0,0|1,1,0]=4 3396 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,2,0,0,0,0|1,1,0]=4 3397 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,2,0,0,0,0|1,0,0]=3 3398 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,2,0,0,0,0|0,1,0]=3 3399 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,2,0,0,0,0|0,1,0]=3 3400 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,2,0,0,0,0|0,2,0]=4 3401 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,2,0,0,0,0|2,0,0]=4 3402 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,2,0,0,0,0|1,0,0]=3 3403 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,2,0,0,0,0|1,1,0]=4 3404 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,2,0,0,0,0|1,1,0]=4 3405 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,2,0,0,0,0|1,0,0]=3 3406 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,2,0,0,0,0|0,2,0]=4 3407 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,2,0,0,0,0|1,0,0]=3 3408 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,2,0,0,0,0|1,0,0]=3 3409 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,2,0,0,0,0|0,0,0]=2 3410 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,2,0,0,0,0|0,0,0]=2 3411 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,2,0,0,0,0|0,1,0]=3 3412 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,2,0,0,0,0|0,1,0]=3 3413 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,2,0,0,0,0|2,0,0]=4 3414 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,2,0,0,0,0|2,0,0]=4 3415 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,2,0,0,0,0|1,1,0]=4 3416 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,2,0,0,0,0|1,1,0]=4 3417 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,2,0,0,0,0|2,0,0]=4 3418 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,2,0,0,0,0|2,0,0]=4 3419 B10R1.11 C[C@@H](OCF)c1cccs1 7a_100000750433_100015361967 [0,2,0,0,0,0|0,2,0]=4 3420 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,2,0,0,0,0|0,1,0]=3 3421 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,2,0,0,0,0|0,1,0]=3 3422 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,2,0,0,0,0|1,0,0]=3 3423 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,2,0,0,0,0|0,2,0]=4 3424 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,2,0,0,0,0|1,0,0]=3 3425 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,2,0,0,0,0|1,0,0]=3 3426 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,2,0,0,0,0|0,0,0]=2 3427 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,2,0,0,0,0|0,0,0]=2 3428 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,2,0,0,0,0|0,1,0]=3 3429 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,2,0,0,0,0|0,1,0]=3 3430 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,2,0,0,0,0|2,0,0]=4 3431 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,2,0,0,0,0|2,0,0]=4 3432 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,2,0,0,0,0|1,1,0]=4 3433 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,2,0,0,0,0|1,1,0]=4 3434 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,2,0,0,0,0|2,0,0]=4 3435 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,2,0,0,0,0|2,0,0]=4 3436 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,2,0,0,0,0|1,0,1]=4 3437 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,2,0,0,0,0|1,0,0]=3 3438 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,2,0,0,0,0|1,0,0]=3 3439 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,2,0,0,0,0|1,0,0]=3 3440 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,2,0,0,0,0|1,0,0]=3 3441 B10R1.23 CC(c1cccs1)N(C)C 2230a_100000186410_200000210301 [0,2,0,0,0,0|1,1,0]=4 3442 B10R1.23 CC(c1cccs1)N(C)C 269982a_100000186410_200000210301 [0,2,0,0,0,0|1,1,0]=4 3443 B10R1.23 CC(c1cccs1)N(C)[13CH3] 2230a_100000186410_200025704644 [0,2,0,0,0,0|1,1,0]=4 3444 B10R1.23 CC(c1cccs1)N(C)[13CH3] 269982a_100000186410_200025704644 [0,2,0,0,0,0|1,1,0]=4 3445 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [0,2,0,0,0,0|2,0,0]=4 3446 B10R1.149 CNC(C)c1sccc1Br 269862a_106832991636_100000738688 [0,2,0,0,0,0|1,1,0]=4 3447 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,2,0,0,0,0|0,1,1]=4 3448 B10R1.21 BrCCOCc1ncco1 34a_100000211926_103436540062 [0,2,0,0,0,0|1,1,0]=4 3449 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [0,2,0,0,0,0|1,0,1]=4 3450 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [0,2,0,0,0,0|1,0,1]=4 3451 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [0,2,0,0,0,0|1,0,0]=3 3452 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [0,2,0,0,0,0|1,0,0]=3 3453 B10R1.21 C#CCNCc1cccs1 2230a_100000211653_100000038162 [0,2,0,0,0,0|1,1,0]=4 3454 B10R1.21 C#CCNCc1ncco1 2230a_100016994969_100000038162 [0,2,0,0,0,0|2,0,0]=4 3455 B10R1.21 C#CCNCc1ncco1 34a_100000212058_103436540062 [0,2,0,0,0,0|2,0,0]=4 3456 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [0,2,0,0,0,0|0,1,0]=3 3457 B10R1.21 C#CCOCc1cccs1 34a_100000211240_100000184674 [0,2,0,0,0,0|0,2,0]=4 3458 B10R1.21 C#CCOCc1ccno1 34a_100000740478_100000184674 [0,2,0,0,0,0|1,1,0]=4 3459 B10R1.21 C#CCOCc1ncco1 34a_100000062594_100000184674 [0,2,0,0,0,0|1,1,0]=4 3460 B10R1.21 C#CCOCc1ncco1 34a_100000210247_103436540062 [0,2,0,0,0,0|1,1,0]=4 3461 B10R1.21 C#CCSCc1c[nH]cn1 62a_100000038162_100000707719 [0,2,0,0,0,0|2,0,0]=4 3462 B10R1.21 C#CCSCc1ccn[nH]1 62a_100000038162_100000728653 [0,2,0,0,0,0|2,0,0]=4 3463 B10R1.21 C#CCSCc1ccon1 62a_100000038162_100000234950 [0,2,0,0,0,0|2,0,0]=4 3464 B10R1.21 C#CCSCc1ccsc1 62a_100000038162_100011233845 [0,2,0,0,0,0|2,0,0]=4 3465 B10R1.21 C#CCSCc1cncs1 62a_100000038162_100015185245 [0,2,0,0,0,0|1,1,0]=4 3466 B10R1.21 C#CCSCc1cscn1 62a_100000038162_100000205941 [0,2,0,0,0,0|2,0,0]=4 3467 B10R1.21 C#CCSCc1ncc[nH]1 62a_100000038162_100016991755 [0,2,0,0,0,0|2,0,0]=4 3468 B10R1.21 C#CCSCc1ncco1 62a_100000038162_103436540062 [0,2,0,0,0,0|1,0,0]=3 3469 B10R1.21 C#CCSCc1nccs1 62a_100000038162_100015184050 [0,2,0,0,0,0|1,1,0]=4 3470 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,2,0,0,0,0|1,0,0]=3 3471 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,2,0,0,0,0|1,0,0]=3 3472 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,2,0,0,0,0|1,1,0]=4 3473 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,2,0,0,0,0|1,1,0]=4 3474 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [0,2,0,0,0,0|2,0,0]=4 3475 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [0,2,0,0,0,0|2,0,0]=4 3476 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [0,2,0,0,0,0|2,0,0]=4 3477 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [0,2,0,0,0,0|2,0,0]=4 3478 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,2,0,0,0,0|1,0,1]=4 3479 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,2,0,0,0,0|1,0,1]=4 3480 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,2,0,0,0,0|1,0,0]=3 3481 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,2,0,0,0,0|1,0,0]=3 3482 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,2,0,0,0,0|1,0,0]=3 3483 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,2,0,0,0,0|1,1,0]=4 3484 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,2,0,0,0,0|1,1,0]=4 3485 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [0,2,0,0,0,0|2,0,0]=4 3486 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [0,2,0,0,0,0|2,0,0]=4 3487 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [0,2,0,0,0,0|2,0,0]=4 3488 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [0,2,0,0,0,0|2,0,0]=4 3489 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,2,0,0,0,0|0,1,0]=3 3490 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,2,0,0,0,0|0,2,0]=4 3491 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,2,0,0,0,0|1,1,0]=4 3492 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [0,2,0,0,0,0|1,1,0]=4 3493 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [0,2,0,0,0,0|1,1,0]=4 3494 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000210623_100000707719 [0,2,0,0,0,0|2,0,0]=4 3495 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000707719_100000210623 [0,2,0,0,0,0|2,0,0]=4 3496 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000210623_100000728653 [0,2,0,0,0,0|2,0,0]=4 3497 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000728653_100000210623 [0,2,0,0,0,0|2,0,0]=4 3498 B10R1.21 C=CCSCc1ccon1 62a_100000210623_100000234950 [0,2,0,0,0,0|2,0,0]=4 3499 B10R1.21 C=CCSCc1ccon1 62a_100000234950_100000210623 [0,2,0,0,0,0|2,0,0]=4 3500 B10R1.21 C=CCSCc1ccsc1 62a_100000210623_100011233845 [0,2,0,0,0,0|2,0,0]=4 3501 B10R1.21 C=CCSCc1ccsc1 62a_100011261437_100000210623 [0,2,0,0,0,0|2,0,0]=4 3502 B10R1.21 C=CCSCc1cncs1 62a_100000210623_100015185245 [0,2,0,0,0,0|1,1,0]=4 3503 B10R1.21 C=CCSCc1cncs1 62a_100015185245_100000210623 [0,2,0,0,0,0|1,1,0]=4 3504 B10R1.21 C=CCSCc1cscn1 62a_100000205941_100000210623 [0,2,0,0,0,0|2,0,0]=4 3505 B10R1.21 C=CCSCc1cscn1 62a_100000210623_100000205941 [0,2,0,0,0,0|2,0,0]=4 3506 B10R1.21 C=CCSCc1ncc[nH]1 62a_100000210623_100016991755 [0,2,0,0,0,0|2,0,0]=4 3507 B10R1.21 C=CCSCc1ncc[nH]1 62a_100016991755_100000210623 [0,2,0,0,0,0|2,0,0]=4 3508 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [0,2,0,0,0,0|1,0,0]=3 3509 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [0,2,0,0,0,0|1,0,0]=3 3510 B10R1.21 C=CCSCc1nccs1 62a_100000210623_100015184050 [0,2,0,0,0,0|1,1,0]=4 3511 B10R1.21 C=CCSCc1nccs1 62a_100015184050_100000210623 [0,2,0,0,0,0|1,1,0]=4 3512 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [0,2,0,0,0,0|1,0,0]=3 3513 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [0,2,0,0,0,0|1,0,0]=3 3514 B10R1.21 CC#CCSc1cccs1 62a_100000748600_100011215356 [0,2,0,0,0,0|1,1,0]=4 3515 B10R1.21 CC#CCSc1cccs1 62a_100011215356_100000748600 [0,2,0,0,0,0|1,1,0]=4 3516 B10R1.21 CC#CCSc1cnco1 62a_100000748600_100020591547 [0,2,0,0,0,0|2,0,0]=4 3517 B10R1.21 CC#CCSc1cnco1 62a_100020591547_100000748600 [0,2,0,0,0,0|2,0,0]=4 3518 B10R1.21 CC#CCSc1ncco1 62a_100000748600_100011787736 [0,2,0,0,0,0|2,0,0]=4 3519 B10R1.21 CC#CCSc1ncco1 62a_100011787736_100000748600 [0,2,0,0,0,0|2,0,0]=4 3520 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,2,0,0,0,0|1,0,0]=3 3521 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,2,0,0,0,0|1,0,0]=3 3522 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,2,0,0,0,0|1,1,0]=4 3523 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,2,0,0,0,0|1,1,0]=4 3524 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [0,2,0,0,0,0|2,0,0]=4 3525 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [0,2,0,0,0,0|2,0,0]=4 3526 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [0,2,0,0,0,0|2,0,0]=4 3527 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [0,2,0,0,0,0|2,0,0]=4 3528 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,2,0,0,0,0|1,0,0]=3 3529 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [0,2,0,0,0,0|1,1,0]=4 3530 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [0,2,0,0,0,0|2,0,0]=4 3531 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [0,2,0,0,0,0|2,0,0]=4 3532 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,2,0,0,0,0|1,0,0]=3 3533 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,2,0,0,0,0|1,0,0]=3 3534 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,2,0,0,0,0|1,1,0]=4 3535 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,2,0,0,0,0|1,1,0]=4 3536 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,2,0,0,0,0|2,0,0]=4 3537 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,2,0,0,0,0|2,0,0]=4 3538 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,2,0,0,0,0|2,0,0]=4 3539 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,2,0,0,0,0|2,0,0]=4 3540 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,2,0,0,0,0|1,0,0]=3 3541 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,2,0,0,0,0|1,0,0]=3 3542 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,2,0,0,0,0|1,0,0]=3 3543 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,2,0,0,0,0|1,0,0]=3 3544 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,2,0,0,0,0|1,1,0]=4 3545 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,2,0,0,0,0|1,1,0]=4 3546 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,2,0,0,0,0|1,1,0]=4 3547 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,2,0,0,0,0|2,0,0]=4 3548 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,2,0,0,0,0|2,0,0]=4 3549 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,2,0,0,0,0|2,0,0]=4 3550 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,2,0,0,0,0|0,1,0]=3 3551 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,2,0,0,0,0|0,2,0]=4 3552 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,2,0,0,0,0|1,1,0]=4 3553 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,2,0,0,0,0|1,1,0]=4 3554 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,2,0,0,0,0|1,1,0]=4 3555 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [0,2,0,0,0,0|2,0,0]=4 3556 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [0,2,0,0,0,0|2,0,0]=4 3557 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,2,0,0,0,0|2,0,0]=4 3558 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,2,0,0,0,0|2,0,0]=4 3559 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,2,0,0,0,0|2,0,0]=4 3560 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,2,0,0,0,0|2,0,0]=4 3561 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,2,0,0,0,0|2,0,0]=4 3562 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,2,0,0,0,0|2,0,0]=4 3563 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,2,0,0,0,0|1,1,0]=4 3564 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,2,0,0,0,0|1,1,0]=4 3565 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [0,2,0,0,0,0|2,0,0]=4 3566 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [0,2,0,0,0,0|2,0,0]=4 3567 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [0,2,0,0,0,0|2,0,0]=4 3568 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [0,2,0,0,0,0|2,0,0]=4 3569 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,2,0,0,0,0|1,0,0]=3 3570 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,2,0,0,0,0|1,0,0]=3 3571 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,2,0,0,0,0|1,1,0]=4 3572 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,2,0,0,0,0|1,1,0]=4 3573 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,2,0,0,0,0|1,0,0]=3 3574 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,2,0,0,0,0|1,0,0]=3 3575 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,2,0,0,0,0|1,1,0]=4 3576 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,2,0,0,0,0|1,1,0]=4 3577 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,2,0,0,0,0|1,1,0]=4 3578 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [0,2,0,0,0,0|1,0,1]=4 3579 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [0,2,0,0,0,0|0,1,1]=4 3580 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,2,0,0,0,0|0,2,0]=4 3581 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,2,0,0,0,0|0,2,0]=4 3582 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,2,0,0,0,0|0,2,0]=4 3583 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [0,2,0,0,0,0|0,1,0]=3 3584 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [0,2,0,0,0,0|0,1,0]=3 3585 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [0,2,0,0,0,0|0,2,0]=4 3586 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [0,2,0,0,0,0|0,2,0]=4 3587 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [0,2,0,0,0,0|1,1,0]=4 3588 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [0,2,0,0,0,0|1,1,0]=4 3589 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [0,2,0,0,0,0|1,1,0]=4 3590 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [0,2,0,0,0,0|1,1,0]=4 3591 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [0,2,0,0,0,0|2,0,0]=4 3592 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [0,2,0,0,0,0|2,0,0]=4 3593 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,2,0,0,0,0|0,1,0]=3 3594 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,2,0,0,0,0|0,1,0]=3 3595 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,2,0,0,0,0|2,0,0]=4 3596 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,2,0,0,0,0|2,0,0]=4 3597 B10R1.21 CCSCCn1cccn1 62a_100000210202_100000685285 [0,2,0,0,0,0|2,0,0]=4 3598 B10R1.21 CCSCCn1cccn1 62a_100015204718_100000210202 [0,2,0,0,0,0|2,0,0]=4 3599 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [0,2,0,0,0,0|1,0,0]=3 3600 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,2,0,0,0,0|1,1,0]=4 3601 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,2,0,0,0,0|1,1,0]=4 3602 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,2,0,0,0,0|1,1,0]=4 3603 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [0,2,0,0,0,0|0,1,0]=3 3604 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [0,2,0,0,0,0|0,2,0]=4 3605 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [0,2,0,0,0,0|1,1,0]=4 3606 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [0,2,0,0,0,0|1,1,0]=4 3607 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,2,0,0,0,0|0,2,0]=4 3608 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,2,0,0,0,0|0,2,0]=4 3609 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,2,0,0,0,0|0,2,0]=4 3610 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,2,0,0,0,0|0,1,0]=3 3611 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,2,0,0,0,0|0,1,0]=3 3612 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,2,0,0,0,0|0,2,0]=4 3613 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,2,0,0,0,0|0,2,0]=4 3614 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [0,2,0,0,0,0|1,1,0]=4 3615 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [0,2,0,0,0,0|1,1,0]=4 3616 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [0,2,0,0,0,0|1,1,0]=4 3617 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [0,2,0,0,0,0|1,1,0]=4 3618 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,2,0,0,0,0|0,1,0]=3 3619 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,2,0,0,0,0|0,2,0]=4 3620 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [0,2,0,0,0,0|1,1,0]=4 3621 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [0,2,0,0,0,0|2,0,0]=4 3622 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [0,2,0,0,0,0|2,0,0]=4 3623 B10R1.21 COCSCc1ccn[nH]1 62a_100000728653_100000766300 [0,2,0,0,0,0|2,0,0]=4 3624 B10R1.21 COCSCc1ccn[nH]1 62a_100000766300_100000728653 [0,2,0,0,0,0|2,0,0]=4 3625 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [0,2,0,0,0,0|2,0,0]=4 3626 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [0,2,0,0,0,0|2,0,0]=4 3627 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [0,2,0,0,0,0|2,0,0]=4 3628 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [0,2,0,0,0,0|2,0,0]=4 3629 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [0,2,0,0,0,0|1,1,0]=4 3630 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [0,2,0,0,0,0|1,1,0]=4 3631 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [0,2,0,0,0,0|2,0,0]=4 3632 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [0,2,0,0,0,0|2,0,0]=4 3633 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [0,2,0,0,0,0|2,0,0]=4 3634 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [0,2,0,0,0,0|2,0,0]=4 3635 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [0,2,0,0,0,0|1,0,0]=3 3636 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [0,2,0,0,0,0|1,0,0]=3 3637 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [0,2,0,0,0,0|1,1,0]=4 3638 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [0,2,0,0,0,0|1,1,0]=4 3639 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,2,0,0,0,0|0,1,0]=3 3640 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,2,0,0,0,0|0,1,0]=3 3641 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,2,0,0,0,0|2,0,0]=4 3642 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,2,0,0,0,0|2,0,0]=4 3643 B10R1.21 CSCCCn1cccn1 62a_100000739983_200000210301 [0,2,0,0,0,0|2,0,0]=4 3644 B10R1.21 CSCCCn1cccn1 62a_200000210301_100000739983 [0,2,0,0,0,0|2,0,0]=4 3645 B10R1.21 CSCCOc1ccsc1 34a_100000106738_100000212216 [0,2,0,0,0,0|2,0,0]=4 3646 B10R1.21 CSCCOc1ccsc1 7a_100000106738_100000212216 [0,2,0,0,0,0|2,0,0]=4 3647 B10R1.21 CSCCSc1c[nH]cn1 62a_100000212216_100000756875 [0,2,0,0,0,0|2,0,0]=4 3648 B10R1.21 CSCCSc1c[nH]cn1 62a_100000756875_100000751147 [0,2,0,0,0,0|2,0,0]=4 3649 B10R1.21 CSCCSc1cc[nH]n1 62a_100000062575_100000751147 [0,2,0,0,0,0|2,0,0]=4 3650 B10R1.21 CSCCSc1cc[nH]n1 62a_100000212216_100000062575 [0,2,0,0,0,0|2,0,0]=4 3651 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,2,0,0,0,0|0,0,0]=2 3652 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,2,0,0,0,0|0,0,0]=2 3653 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [0,2,0,0,0,0|0,1,0]=3 3654 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [0,2,0,0,0,0|0,1,0]=3 3655 B10R1.21 CSCCSc1ccoc1 62a_100000212216_100011215275 [0,2,0,0,0,0|2,0,0]=4 3656 B10R1.21 CSCCSc1ccoc1 62a_100011215275_100000751147 [0,2,0,0,0,0|2,0,0]=4 3657 B10R1.21 CSCCSc1ccon1 62a_100000212216_100009818083 [0,2,0,0,0,0|2,0,0]=4 3658 B10R1.21 CSCCSc1ccon1 62a_100009818083_100000751147 [0,2,0,0,0,0|2,0,0]=4 3659 B10R1.21 CSCCSc1ccsc1 62a_100000212216_100000738268 [0,2,0,0,0,0|2,0,0]=4 3660 B10R1.21 CSCCSc1ccsc1 62a_100000738268_100000751147 [0,2,0,0,0,0|2,0,0]=4 3661 B10R1.21 CSCCSc1ccsn1 62a_100000212216_100009818082 [0,2,0,0,0,0|2,0,0]=4 3662 B10R1.21 CSCCSc1ccsn1 62a_100009818082_100000751147 [0,2,0,0,0,0|2,0,0]=4 3663 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [0,2,0,0,0,0|1,0,0]=3 3664 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [0,2,0,0,0,0|1,0,0]=3 3665 B10R1.21 CSCCSc1cncs1 62a_100000212216_100011934649 [0,2,0,0,0,0|1,1,0]=4 3666 B10R1.21 CSCCSc1cncs1 62a_100011934649_100000751147 [0,2,0,0,0,0|1,1,0]=4 3667 B10R1.21 CSCCSc1cscn1 62a_100000212216_100000751502 [0,2,0,0,0,0|2,0,0]=4 3668 B10R1.21 CSCCSc1cscn1 62a_100000751502_100000751147 [0,2,0,0,0,0|2,0,0]=4 3669 B10R1.21 CSCCSc1ncc[nH]1 62a_100000212216_100025796157 [0,2,0,0,0,0|2,0,0]=4 3670 B10R1.21 CSCCSc1ncc[nH]1 62a_100025796157_100000751147 [0,2,0,0,0,0|2,0,0]=4 3671 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [0,2,0,0,0,0|1,0,0]=3 3672 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [0,2,0,0,0,0|1,0,0]=3 3673 B10R1.21 CSCCSc1nccs1 62a_100000211983_100000751147 [0,2,0,0,0,0|1,1,0]=4 3674 B10R1.21 CSCCSc1nccs1 62a_100000212216_100000211983 [0,2,0,0,0,0|1,1,0]=4 3675 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,2,0,0,0,0|0,0,0]=2 3676 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,2,0,0,0,0|0,0,0]=2 3677 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [0,2,0,0,0,0|0,1,0]=3 3678 B10R1.21 CSCNCc1ccoc1 2230a_100015206860_100011218213 [0,2,0,0,0,0|2,0,0]=4 3679 B10R1.21 CSCNCc1ccoc1 34a_100015206860_100011218213 [0,2,0,0,0,0|2,0,0]=4 3680 B10R1.21 CSCNCc1ccsc1 2230a_100000186416_100011218213 [0,2,0,0,0,0|2,0,0]=4 3681 B10R1.21 CSCNCc1ccsc1 34a_100000186416_100011218213 [0,2,0,0,0,0|2,0,0]=4 3682 B10R1.21 CSCNCc1cncs1 2230a_100016987365_100011218213 [0,2,0,0,0,0|1,1,0]=4 3683 B10R1.21 CSCNCc1cscn1 2230a_100015185402_100011218213 [0,2,0,0,0,0|2,0,0]=4 3684 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [0,2,0,0,0,0|1,0,0]=3 3685 B10R1.21 CSCNCc1nccs1 2230a_100000740555_100011218213 [0,2,0,0,0,0|1,1,0]=4 3686 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,2,0,0,0,0|0,0,0]=2 3687 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [0,2,0,0,0,0|0,1,0]=3 3688 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [0,2,0,0,0,0|1,0,0]=3 3689 B10R1.21 CSCOCc1ccoc1 34a_100011215357_100011218213 [0,2,0,0,0,0|2,0,0]=4 3690 B10R1.21 CSCOCc1ccsc1 34a_100011215551_100011218213 [0,2,0,0,0,0|2,0,0]=4 3691 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [0,2,0,0,0,0|1,0,0]=3 3692 B10R1.21 CSCOCn1cccn1 34a_100000731028_100011218213 [0,2,0,0,0,0|2,0,0]=4 3693 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [0,2,0,0,0,0|2,0,0]=4 3694 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [0,2,0,0,0,0|2,0,0]=4 3695 B10R1.21 CSCSCc1ccn[nH]1 62a_100000728653_100011218213 [0,2,0,0,0,0|2,0,0]=4 3696 B10R1.21 CSCSCc1ccn[nH]1 62a_100011218213_100000728653 [0,2,0,0,0,0|2,0,0]=4 3697 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [0,2,0,0,0,0|2,0,0]=4 3698 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [0,2,0,0,0,0|2,0,0]=4 3699 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [0,2,0,0,0,0|2,0,0]=4 3700 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [0,2,0,0,0,0|2,0,0]=4 3701 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [0,2,0,0,0,0|1,1,0]=4 3702 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [0,2,0,0,0,0|1,1,0]=4 3703 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [0,2,0,0,0,0|2,0,0]=4 3704 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [0,2,0,0,0,0|2,0,0]=4 3705 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [0,2,0,0,0,0|2,0,0]=4 3706 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [0,2,0,0,0,0|2,0,0]=4 3707 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [0,2,0,0,0,0|1,0,0]=3 3708 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [0,2,0,0,0,0|1,0,0]=3 3709 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [0,2,0,0,0,0|1,1,0]=4 3710 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [0,2,0,0,0,0|1,1,0]=4 3711 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,2,0,0,0,0|1,0,0]=3 3712 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,2,0,0,0,0|1,0,0]=3 3713 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,2,0,0,0,0|1,1,0]=4 3714 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,2,0,0,0,0|1,1,0]=4 3715 B10R1.21 FCCCSc1cnco1 62a_100011934791_100020591547 [0,2,0,0,0,0|2,0,0]=4 3716 B10R1.21 FCCCSc1cnco1 62a_100020591547_100011934791 [0,2,0,0,0,0|2,0,0]=4 3717 B10R1.21 FCCCSc1ncco1 62a_100011787736_100011934791 [0,2,0,0,0,0|2,0,0]=4 3718 B10R1.21 FCCCSc1ncco1 62a_100011934791_100011787736 [0,2,0,0,0,0|2,0,0]=4 3719 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,2,0,0,0,0|1,0,0]=3 3720 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,2,0,0,0,0|1,0,0]=3 3721 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,2,0,0,0,0|1,1,0]=4 3722 B10R1.21 FCCNCc1ncco1 2230a_100016994969_100011217306 [0,2,0,0,0,0|2,0,0]=4 3723 B10R1.21 FCCNCc1ncco1 34a_100000724931_103436540062 [0,2,0,0,0,0|2,0,0]=4 3724 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,2,0,0,0,0|0,1,0]=3 3725 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,2,0,0,0,0|0,2,0]=4 3726 B10R1.21 FCCOCc1ccno1 34a_100000740478_100011217306 [0,2,0,0,0,0|1,1,0]=4 3727 B10R1.21 FCCOCc1ncco1 34a_100000062594_100011217306 [0,2,0,0,0,0|1,1,0]=4 3728 B10R1.21 FCCSCc1c[nH]cn1 62a_100000707719_100011217306 [0,2,0,0,0,0|2,0,0]=4 3729 B10R1.21 FCCSCc1c[nH]cn1 62a_100011217306_100000707719 [0,2,0,0,0,0|2,0,0]=4 3730 B10R1.21 FCCSCc1ccn[nH]1 62a_100000728653_100011217306 [0,2,0,0,0,0|2,0,0]=4 3731 B10R1.21 FCCSCc1ccn[nH]1 62a_100011217306_100000728653 [0,2,0,0,0,0|2,0,0]=4 3732 B10R1.21 FCCSCc1ccon1 62a_100000234950_100011217306 [0,2,0,0,0,0|2,0,0]=4 3733 B10R1.21 FCCSCc1ccon1 62a_100011217306_100000234950 [0,2,0,0,0,0|2,0,0]=4 3734 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [0,2,0,0,0,0|2,0,0]=4 3735 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [0,2,0,0,0,0|2,0,0]=4 3736 B10R1.21 FCCSCc1cncs1 62a_100011217306_100015185245 [0,2,0,0,0,0|1,1,0]=4 3737 B10R1.21 FCCSCc1cncs1 62a_100015185245_100011217306 [0,2,0,0,0,0|1,1,0]=4 3738 B10R1.21 FCCSCc1cscn1 62a_100000205941_100011217306 [0,2,0,0,0,0|2,0,0]=4 3739 B10R1.21 FCCSCc1cscn1 62a_100011217306_100000205941 [0,2,0,0,0,0|2,0,0]=4 3740 B10R1.21 FCCSCc1ncc[nH]1 62a_100011217306_100016991755 [0,2,0,0,0,0|2,0,0]=4 3741 B10R1.21 FCCSCc1ncc[nH]1 62a_100016991755_100011217306 [0,2,0,0,0,0|2,0,0]=4 3742 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [0,2,0,0,0,0|1,0,0]=3 3743 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [0,2,0,0,0,0|1,0,0]=3 3744 B10R1.21 FCCSCc1nccs1 62a_100011217306_100015184050 [0,2,0,0,0,0|1,1,0]=4 3745 B10R1.21 FCCSCc1nccs1 62a_100015184050_100011217306 [0,2,0,0,0,0|1,1,0]=4 3746 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,2,0,0,0,0|1,0,0]=3 3747 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,2,0,0,0,0|1,1,0]=4 3748 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,2,0,0,0,0|0,2,0]=4 3749 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,2,0,0,0,0|0,2,0]=4 3750 B10R1.21 FCSCCc1c[nH]cn1 62a_100015361967_100020628418 [0,2,0,0,0,0|2,0,0]=4 3751 B10R1.21 FCSCCc1c[nH]cn1 62a_100020628418_100015361967 [0,2,0,0,0,0|2,0,0]=4 3752 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,2,0,0,0,0|0,1,0]=3 3753 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,2,0,0,0,0|0,1,0]=3 3754 B10R1.21 FCSCCn1cccc1 62a_100015361967_200000035178 [0,2,0,0,0,0|2,0,0]=4 3755 B10R1.21 FCSCCn1cccc1 62a_200009811947_100015361967 [0,2,0,0,0,0|2,0,0]=4 3756 B10R1.21 FCSCCn1cccn1 62a_100015204718_100015361967 [0,2,0,0,0,0|2,0,0]=4 3757 B10R1.21 FCSCCn1cccn1 62a_100015361967_100000685285 [0,2,0,0,0,0|2,0,0]=4 3758 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [0,2,0,0,0,0|1,0,1]=4 3759 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [0,2,0,0,0,0|1,0,1]=4 3760 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [0,2,0,0,0,0|1,0,0]=3 3761 B10R1.21 N#CCNCc1cccs1 2230a_100000211653_100011215382 [0,2,0,0,0,0|1,1,0]=4 3762 B10R1.21 N#CCNCc1ncco1 2230a_100016994969_100011215382 [0,2,0,0,0,0|2,0,0]=4 3763 B10R1.21 N#CCSCc1c[nH]cn1 62a_100000707719_100011215382 [0,2,0,0,0,0|2,0,0]=4 3764 B10R1.21 N#CCSCc1c[nH]cn1 62a_100011215382_100000707719 [0,2,0,0,0,0|2,0,0]=4 3765 B10R1.21 N#CCSCc1ccn[nH]1 62a_100000728653_100011215382 [0,2,0,0,0,0|2,0,0]=4 3766 B10R1.21 N#CCSCc1ccn[nH]1 62a_100011215382_100000728653 [0,2,0,0,0,0|2,0,0]=4 3767 B10R1.21 N#CCSCc1ccon1 62a_100000234950_100011215382 [0,2,0,0,0,0|2,0,0]=4 3768 B10R1.21 N#CCSCc1ccon1 62a_100011215382_100000234950 [0,2,0,0,0,0|2,0,0]=4 3769 B10R1.21 N#CCSCc1ccsc1 62a_100011215382_100011233845 [0,2,0,0,0,0|2,0,0]=4 3770 B10R1.21 N#CCSCc1ccsc1 62a_100011261437_100011215382 [0,2,0,0,0,0|2,0,0]=4 3771 B10R1.21 N#CCSCc1cncs1 62a_100011215382_100015185245 [0,2,0,0,0,0|1,1,0]=4 3772 B10R1.21 N#CCSCc1cncs1 62a_100015185245_100011215382 [0,2,0,0,0,0|1,1,0]=4 3773 B10R1.21 N#CCSCc1cscn1 62a_100000205941_100011215382 [0,2,0,0,0,0|2,0,0]=4 3774 B10R1.21 N#CCSCc1cscn1 62a_100011215382_100000205941 [0,2,0,0,0,0|2,0,0]=4 3775 B10R1.21 N#CCSCc1ncc[nH]1 62a_100011215382_100016991755 [0,2,0,0,0,0|2,0,0]=4 3776 B10R1.21 N#CCSCc1ncc[nH]1 62a_100016991755_100011215382 [0,2,0,0,0,0|2,0,0]=4 3777 B10R1.21 N#CCSCc1ncco1 62a_100011215382_103436540062 [0,2,0,0,0,0|1,0,0]=3 3778 B10R1.21 N#CCSCc1ncco1 62a_103436540062_100011215382 [0,2,0,0,0,0|1,0,0]=3 3779 B10R1.21 N#CCSCc1nccs1 62a_100011215382_100015184050 [0,2,0,0,0,0|1,1,0]=4 3780 B10R1.21 N#CCSCc1nccs1 62a_100015184050_100011215382 [0,2,0,0,0,0|1,1,0]=4 3781 B10R1.21 N#CSCSc1ccco1 62a_100000211825_100009814098 [0,2,0,0,0,0|0,0,1]=3 3782 B10R1.21 N#CSCSc1ccco1 62a_100009814098_100000211825 [0,2,0,0,0,0|0,0,1]=3 3783 B10R1.21 N#CSCSc1cccs1 62a_100000211825_100011215356 [0,2,0,0,0,0|0,1,1]=4 3784 B10R1.21 N#CSCSc1cccs1 62a_100011215356_100000211825 [0,2,0,0,0,0|0,1,1]=4 3785 B10R1.21 N#CSCSc1cnco1 62a_100000211825_100020591547 [0,2,0,0,0,0|1,0,1]=4 3786 B10R1.21 N#CSCSc1cnco1 62a_100020591547_100000211825 [0,2,0,0,0,0|1,0,1]=4 3787 B10R1.21 N#CSCSc1ncco1 62a_100000211825_100011787736 [0,2,0,0,0,0|1,0,1]=4 3788 B10R1.21 N#CSCSc1ncco1 62a_100011787736_100000211825 [0,2,0,0,0,0|1,0,1]=4 3789 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [0,2,0,0,0,0|1,1,0]=4 3790 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,2,0,0,0,0|1,0,0]=3 3791 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,2,0,0,0,0|1,0,0]=3 3792 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,2,0,0,0,0|1,1,0]=4 3793 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [0,2,0,0,0,0|2,0,0]=4 3794 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,2,0,0,0,0|0,1,0]=3 3795 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,2,0,0,0,0|0,2,0]=4 3796 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [0,2,0,0,0,0|1,1,0]=4 3797 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [0,2,0,0,0,0|1,1,0]=4 3798 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [0,2,0,0,0,0|2,0,0]=4 3799 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [0,2,0,0,0,0|2,0,0]=4 3800 B10R1.21 O=CCSCc1ccn[nH]1 62a_100000728653_200015260668 [0,2,0,0,0,0|2,0,0]=4 3801 B10R1.21 O=CCSCc1ccn[nH]1 62a_200015260668_100000728653 [0,2,0,0,0,0|2,0,0]=4 3802 B10R1.21 O=CCSCc1ccon1 62a_100000234950_200015260668 [0,2,0,0,0,0|2,0,0]=4 3803 B10R1.21 O=CCSCc1ccon1 62a_200015260668_100000234950 [0,2,0,0,0,0|2,0,0]=4 3804 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [0,2,0,0,0,0|2,0,0]=4 3805 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [0,2,0,0,0,0|2,0,0]=4 3806 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [0,2,0,0,0,0|1,1,0]=4 3807 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [0,2,0,0,0,0|1,1,0]=4 3808 B10R1.21 O=CCSCc1cscn1 62a_100000205941_200015260668 [0,2,0,0,0,0|2,0,0]=4 3809 B10R1.21 O=CCSCc1cscn1 62a_200015260668_100000205941 [0,2,0,0,0,0|2,0,0]=4 3810 B10R1.21 O=CCSCc1ncc[nH]1 62a_100016991755_200015260668 [0,2,0,0,0,0|2,0,0]=4 3811 B10R1.21 O=CCSCc1ncc[nH]1 62a_200015260668_100016991755 [0,2,0,0,0,0|2,0,0]=4 3812 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [0,2,0,0,0,0|1,0,0]=3 3813 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [0,2,0,0,0,0|1,0,0]=3 3814 B10R1.21 O=CCSCc1nccs1 62a_100015184050_200015260668 [0,2,0,0,0,0|1,1,0]=4 3815 B10R1.21 O=CCSCc1nccs1 62a_200015260668_100015184050 [0,2,0,0,0,0|1,1,0]=4 3816 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,2,0,0,0,0|1,0,0]=3 3817 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,2,0,0,0,0|1,0,0]=3 3818 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,2,0,0,0,0|1,1,0]=4 3819 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,2,0,0,0,0|1,1,0]=4 3820 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [0,2,0,0,0,0|2,0,0]=4 3821 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [0,2,0,0,0,0|2,0,0]=4 3822 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [0,2,0,0,0,0|2,0,0]=4 3823 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [0,2,0,0,0,0|2,0,0]=4 3824 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,2,0,0,0,0|1,0,0]=3 3825 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,2,0,0,0,0|1,0,0]=3 3826 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,2,0,0,0,0|1,0,0]=3 3827 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,2,0,0,0,0|1,0,0]=3 3828 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,2,0,0,0,0|1,1,0]=4 3829 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,2,0,0,0,0|1,1,0]=4 3830 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,2,0,0,0,0|1,1,0]=4 3831 B10R1.21 OCCNCc1cnco1 270004a_100000210304_100000064291 [0,2,0,0,0,0|2,0,0]=4 3832 B10R1.21 OCCNCc1ncco1 2230a_100016994969_100000211926 [0,2,0,0,0,0|2,0,0]=4 3833 B10R1.21 OCCNCc1ncco1 2230a_100016997473_103436540062 [0,2,0,0,0,0|2,0,0]=4 3834 B10R1.21 OCCNCc1ncco1 270004a_100000210304_100000064290 [0,2,0,0,0,0|2,0,0]=4 3835 B10R1.21 OCCNCc1ncco1 34a_100016990907_103436540062 [0,2,0,0,0,0|2,0,0]=4 3836 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,2,0,0,0,0|0,1,0]=3 3837 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,2,0,0,0,0|0,2,0]=4 3838 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [0,2,0,0,0,0|1,1,0]=4 3839 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [0,2,0,0,0,0|1,1,0]=4 3840 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [0,2,0,0,0,0|2,0,0]=4 3841 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [0,2,0,0,0,0|2,0,0]=4 3842 B10R1.21 OCCSCc1ccn[nH]1 62a_100000211926_100000728653 [0,2,0,0,0,0|2,0,0]=4 3843 B10R1.21 OCCSCc1ccn[nH]1 62a_100000728653_100000211926 [0,2,0,0,0,0|2,0,0]=4 3844 B10R1.21 OCCSCc1ccon1 62a_100000211926_100000234950 [0,2,0,0,0,0|2,0,0]=4 3845 B10R1.21 OCCSCc1ccon1 62a_100000234950_100000211926 [0,2,0,0,0,0|2,0,0]=4 3846 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,2,0,0,0,0|2,0,0]=4 3847 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,2,0,0,0,0|2,0,0]=4 3848 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [0,2,0,0,0,0|1,1,0]=4 3849 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [0,2,0,0,0,0|1,1,0]=4 3850 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [0,2,0,0,0,0|2,0,0]=4 3851 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [0,2,0,0,0,0|2,0,0]=4 3852 B10R1.21 OCCSCc1ncc[nH]1 62a_100000211926_100016991755 [0,2,0,0,0,0|2,0,0]=4 3853 B10R1.21 OCCSCc1ncc[nH]1 62a_100016991755_100000211926 [0,2,0,0,0,0|2,0,0]=4 3854 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [0,2,0,0,0,0|1,0,0]=3 3855 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [0,2,0,0,0,0|1,0,0]=3 3856 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [0,2,0,0,0,0|1,1,0]=4 3857 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [0,2,0,0,0,0|1,1,0]=4 3858 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,2,0,0,0,0|0,2,0]=4 3859 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,2,0,0,0,0|0,2,0]=4 3860 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,2,0,0,0,0|0,1,0]=3 3861 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,2,0,0,0,0|0,1,0]=3 3862 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,2,0,0,0,0|2,0,0]=4 3863 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,2,0,0,0,0|2,0,0]=4 3864 B10R1.21 [13CH3]SCCCn1cccn1 62a_100000739983_200025704644 [0,2,0,0,0,0|2,0,0]=4 3865 B10R1.21 [13CH3]SCCCn1cccn1 62a_200025704644_100000739983 [0,2,0,0,0,0|2,0,0]=4 3866 B10R1.27 C#CC(C)Sc1ccco1 62a_200000035995_100009814098 [0,2,0,0,0,0|1,0,1]=4 3867 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [0,2,0,0,0,0|1,0,1]=4 3868 B10R1.27 CC(C#N)Sc1ccco1 62a_100000703298_100009814098 [0,2,0,0,0,0|2,0,0]=4 3869 B10R1.27 CC(C#N)Sc1ccco1 62a_100009814098_100000703298 [0,2,0,0,0,0|2,0,0]=4 3870 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,2,0,0,0,0|2,0,0]=4 3871 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,2,0,0,0,0|0,1,0]=3 3872 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,2,0,0,0,0|0,1,0]=3 3873 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,2,0,0,0,0|1,1,0]=4 3874 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,2,0,0,0,0|2,0,0]=4 3875 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,2,0,0,0,0|1,0,0]=3 3876 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,2,0,0,0,0|1,1,0]=4 3877 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,2,0,0,0,0|2,0,0]=4 3878 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,2,0,0,0,0|1,0,0]=3 3879 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,2,0,0,0,0|1,0,0]=3 3880 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,2,0,0,0,0|1,1,0]=4 3881 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,2,0,0,0,0|1,1,0]=4 3882 B10R1.27 CCC(C)Sc1cnco1 62a_100000758301_100020591547 [0,2,0,0,0,0|2,0,0]=4 3883 B10R1.27 CCC(C)Sc1cnco1 62a_100020591547_100000758301 [0,2,0,0,0,0|2,0,0]=4 3884 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [0,2,0,0,0,0|2,0,0]=4 3885 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [0,2,0,0,0,0|2,0,0]=4 3886 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,2,0,0,0,0|1,0,0]=3 3887 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,2,0,0,0,0|1,0,0]=3 3888 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,2,0,0,0,0|1,0,0]=3 3889 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,2,0,0,0,0|1,0,0]=3 3890 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,2,0,0,0,0|1,1,0]=4 3891 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,2,0,0,0,0|1,1,0]=4 3892 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,2,0,0,0,0|1,1,0]=4 3893 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,2,0,0,0,0|1,1,0]=4 3894 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [0,2,0,0,0,0|2,0,0]=4 3895 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [0,2,0,0,0,0|2,0,0]=4 3896 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,2,0,0,0,0|1,0,0]=3 3897 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,2,0,0,0,0|1,0,0]=3 3898 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,2,0,0,0,0|1,1,0]=4 3899 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,2,0,0,0,0|1,1,0]=4 3900 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [0,2,0,0,0,0|1,0,0]=3 3901 B10R1.27 CN(CF)Cc1cccs1 269982a_100000184426_100015361967 [0,2,0,0,0,0|1,1,0]=4 3902 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,2,0,0,0,0|2,0,0]=4 3903 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,2,0,0,0,0|2,0,0]=4 3904 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,2,0,0,0,0|2,0,0]=4 3905 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,2,0,0,0,0|1,0,0]=3 3906 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,2,0,0,0,0|1,0,0]=3 3907 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,2,0,0,0,0|1,1,0]=4 3908 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,2,0,0,0,0|1,1,0]=4 3909 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,2,0,0,0,0|1,1,0]=4 3910 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,2,0,0,0,0|1,0,0]=3 3911 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,2,0,0,0,0|1,1,0]=4 3912 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,2,0,0,0,0|0,1,0]=3 3913 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,2,0,0,0,0|0,1,0]=3 3914 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,2,0,0,0,0|0,1,0]=3 3915 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,2,0,0,0,0|0,1,0]=3 3916 B10R1.27 COC(C)Sc1cccs1 62a_100009879195_100011215356 [0,2,0,0,0,0|0,2,0]=4 3917 B10R1.27 COC(C)Sc1cccs1 62a_100011215356_100009879195 [0,2,0,0,0,0|0,2,0]=4 3918 B10R1.27 COC(C)Sc1cnco1 62a_100009879195_100020591547 [0,2,0,0,0,0|1,1,0]=4 3919 B10R1.27 COC(C)Sc1cnco1 62a_100020591547_100009879195 [0,2,0,0,0,0|1,1,0]=4 3920 B10R1.27 COC(C)Sc1ncco1 62a_100009879195_100011787736 [0,2,0,0,0,0|1,1,0]=4 3921 B10R1.27 COC(C)Sc1ncco1 62a_100011787736_100009879195 [0,2,0,0,0,0|1,1,0]=4 3922 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,2,0,0,0,0|2,0,0]=4 3923 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,2,0,0,0,0|2,0,0]=4 3924 B10R1.27 N#CC(F)Sc1ccco1 62a_100009814098_200000117898 [0,2,0,0,0,0|2,0,0]=4 3925 B10R1.27 N#CC(F)Sc1ccco1 62a_200000117898_100009814098 [0,2,0,0,0,0|2,0,0]=4 3926 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,2,0,0,0,0|2,0,0]=4 3927 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,2,0,0,0,0|1,0,0]=3 3928 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,2,0,0,0,0|1,1,0]=4 3929 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,2,0,0,0,0|2,0,0]=4 3930 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,2,0,0,0,0|1,1,0]=4 3931 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,2,0,0,0,0|1,1,0]=4 3932 B10R1.29 CCCSc1sccc1Br 62a_100000210303_100012361411 [0,2,0,0,0,0|1,1,0]=4 3933 B10R1.29 CCCSc1sccc1Br 62a_100012361411_100000210303 [0,2,0,0,0,0|1,1,0]=4 3934 B10R1.29 CCCSc1sccc1C 62a_100000210303_100010247149 [0,2,0,0,0,0|1,1,0]=4 3935 B10R1.29 CCCSc1sccc1C 62a_100010247149_100000210303 [0,2,0,0,0,0|1,1,0]=4 3936 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [0,2,0,0,0,0|2,0,0]=4 3937 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [0,2,0,0,0,0|2,0,0]=4 3938 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [0,2,0,0,0,0|1,0,0]=3 3939 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [0,2,0,0,0,0|1,0,0]=3 3940 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [0,2,0,0,0,0|1,0,0]=3 3941 B10R1.29 CCNCc1sccc1Br 207a_100015525214_100000766043 [0,2,0,0,0,0|1,1,0]=4 3942 B10R1.29 CCNCc1sccc1Br 270004a_100015525214_100000766043 [0,2,0,0,0,0|1,1,0]=4 3943 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [0,2,0,0,0,0|1,1,0]=4 3944 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [0,2,0,0,0,0|1,1,0]=4 3945 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [0,2,0,0,0,0|1,1,0]=4 3946 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [0,2,0,0,0,0|1,1,0]=4 3947 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [0,2,0,0,0,0|1,1,0]=4 3948 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [0,2,0,0,0,0|1,1,0]=4 3949 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [0,2,0,0,0,0|1,1,0]=4 3950 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [0,2,0,0,0,0|1,1,0]=4 3951 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [0,2,0,0,0,0|0,1,0]=3 3952 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [0,2,0,0,0,0|0,1,0]=3 3953 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [0,2,0,0,0,0|1,1,0]=4 3954 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [0,2,0,0,0,0|1,1,0]=4 3955 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [0,2,0,0,0,0|1,1,0]=4 3956 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [0,2,0,0,0,0|0,2,0]=4 3957 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [0,2,0,0,0,0|0,2,0]=4 3958 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [0,2,0,0,0,0|0,2,0]=4 3959 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [0,2,0,0,0,0|0,2,0]=4 3960 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [0,2,0,0,0,0|0,2,0]=4 3961 B10R1.29 CCSCc1ccnn1C 62a_100000210202_100000691648 [0,2,0,0,0,0|2,0,0]=4 3962 B10R1.29 CCSCc1ccnn1C 62a_100000691648_100000210202 [0,2,0,0,0,0|2,0,0]=4 3963 B10R1.29 CCSCc1ccsc1Br 62a_100000210202_100009814289 [0,2,0,0,0,0|2,0,0]=4 3964 B10R1.29 CCSCc1ccsc1Br 62a_100009814289_100000210202 [0,2,0,0,0,0|2,0,0]=4 3965 B10R1.29 CCSCc1ccsc1Cl 62a_100000210202_100010167017 [0,2,0,0,0,0|2,0,0]=4 3966 B10R1.29 CCSCc1ccsc1Cl 62a_100010167017_100000210202 [0,2,0,0,0,0|2,0,0]=4 3967 B10R1.29 CCSCc1nc[nH]c1C 62a_100000210202_100000751220 [0,2,0,0,0,0|2,0,0]=4 3968 B10R1.29 CCSCc1nc[nH]c1C 62a_100000751220_100000210202 [0,2,0,0,0,0|2,0,0]=4 3969 B10R1.29 CCSCc1nccn1C 62a_100000210202_100000700302 [0,2,0,0,0,0|2,0,0]=4 3970 B10R1.29 CCSCc1nccn1C 62a_100000700302_100000210202 [0,2,0,0,0,0|2,0,0]=4 3971 B10R1.29 CCSCc1ncoc1C 62a_100000210202_200000693990 [0,2,0,0,0,0|2,0,0]=4 3972 B10R1.29 CCSCc1ncoc1C 62a_200000693990_100000210202 [0,2,0,0,0,0|2,0,0]=4 3973 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,2,0,0,0,0|2,0,0]=4 3974 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,2,0,0,0,0|2,0,0]=4 3975 B10R1.29 COCSc1sccc1Br 62a_100000766300_100012361411 [0,2,0,0,0,0|0,2,0]=4 3976 B10R1.29 COCSc1sccc1Br 62a_100012361411_100000766300 [0,2,0,0,0,0|0,2,0]=4 3977 B10R1.29 COCSc1sccc1C 62a_100000766300_100010247149 [0,2,0,0,0,0|0,2,0]=4 3978 B10R1.29 COCSc1sccc1C 62a_100010247149_100000766300 [0,2,0,0,0,0|0,2,0]=4 3979 B10R1.29 CSCCc1scnc1C 62a_100000057103_200000210301 [0,2,0,0,0,0|1,1,0]=4 3980 B10R1.29 CSCCc1scnc1C 62a_200000210301_100000057103 [0,2,0,0,0,0|1,1,0]=4 3981 B10R1.29 CSCCn1nccc1C 62a_100011934269_200000210301 [0,2,0,0,0,0|2,0,0]=4 3982 B10R1.29 CSCCn1nccc1C 62a_200000210301_100011934269 [0,2,0,0,0,0|2,0,0]=4 3983 B10R1.29 CSCOc1ccnn1C 34a_100020632926_100011218213 [0,2,0,0,0,0|2,0,0]=4 3984 B10R1.29 CSCSc1[nH]cnc1Cl 62a_100010200774_100011218213 [0,2,0,0,0,0|2,0,0]=4 3985 B10R1.29 CSCSc1[nH]cnc1Cl 62a_100011218213_100010200774 [0,2,0,0,0,0|2,0,0]=4 3986 B10R1.29 CSCSc1ccnn1C 62a_100000688441_100011218213 [0,2,0,0,0,0|2,0,0]=4 3987 B10R1.29 CSCSc1ccnn1C 62a_100011218213_100000688441 [0,2,0,0,0,0|2,0,0]=4 3988 B10R1.29 CSCSc1ccsc1C 62a_100000684487_100011218213 [0,2,0,0,0,0|2,0,0]=4 3989 B10R1.29 CSCSc1ccsc1C 62a_100011218213_100000684487 [0,2,0,0,0,0|2,0,0]=4 3990 B10R1.29 CSCSc1cncn1C 62a_100009814087_100011218213 [0,2,0,0,0,0|2,0,0]=4 3991 B10R1.29 CSCSc1cncn1C 62a_100011218213_100009814087 [0,2,0,0,0,0|2,0,0]=4 3992 B10R1.29 CSCSc1cscc1Br 62a_100010143727_100011218213 [0,2,0,0,0,0|2,0,0]=4 3993 B10R1.29 CSCSc1cscc1Br 62a_100011218213_100010143727 [0,2,0,0,0,0|2,0,0]=4 3994 B10R1.29 CSCSc1cscc1C 62a_100000759966_100011218213 [0,2,0,0,0,0|2,0,0]=4 3995 B10R1.29 CSCSc1cscc1C 62a_100011218213_100000759966 [0,2,0,0,0,0|2,0,0]=4 3996 B10R1.29 CSCSc1n[nH]cc1Br 62a_100011218213_100015839836 [0,2,0,0,0,0|2,0,0]=4 3997 B10R1.29 CSCSc1n[nH]cc1Br 62a_100015839836_100011218213 [0,2,0,0,0,0|2,0,0]=4 3998 B10R1.29 CSCSc1n[nH]cc1C 62a_100009871783_100011218213 [0,2,0,0,0,0|2,0,0]=4 3999 B10R1.29 CSCSc1n[nH]cc1C 62a_100011218213_100009871783 [0,2,0,0,0,0|2,0,0]=4 4000 B10R1.29 CSCSc1n[nH]cc1N 62a_100010894806_100011218213 [0,2,0,0,0,0|2,0,0]=4 4001 B10R1.29 CSCSc1n[nH]cc1N 62a_100011218213_100010894806 [0,2,0,0,0,0|2,0,0]=4 4002 B10R1.29 CSCSc1nc[nH]c1C 62a_100010186451_100011218213 [0,2,0,0,0,0|2,0,0]=4 4003 B10R1.29 CSCSc1nc[nH]c1C 62a_100011218213_100010186451 [0,2,0,0,0,0|2,0,0]=4 4004 B10R1.29 CSCSc1nccn1C 62a_100000707724_100011218213 [0,2,0,0,0,0|2,0,0]=4 4005 B10R1.29 CSCSc1nccn1C 62a_100011218213_100000707724 [0,2,0,0,0,0|2,0,0]=4 4006 B10R1.29 CSCSc1ncsc1C 62a_100000732656_100011218213 [0,2,0,0,0,0|2,0,0]=4 4007 B10R1.29 CSCSc1ncsc1C 62a_100011218213_100000732656 [0,2,0,0,0,0|2,0,0]=4 4008 B10R1.29 CSCSc1sccc1Br 62a_100011218213_100012361411 [0,2,0,0,0,0|0,1,0]=3 4009 B10R1.29 CSCSc1sccc1Br 62a_100012361411_100011218213 [0,2,0,0,0,0|0,1,0]=3 4010 B10R1.29 CSCSc1sccc1C 62a_100010247149_100011218213 [0,2,0,0,0,0|0,1,0]=3 4011 B10R1.29 CSCSc1sccc1C 62a_100011218213_100010247149 [0,2,0,0,0,0|0,1,0]=3 4012 B10R1.29 CSCSc1scnc1C 62a_100009817116_100011218213 [0,2,0,0,0,0|1,1,0]=4 4013 B10R1.29 CSCSc1scnc1C 62a_100011218213_100009817116 [0,2,0,0,0,0|1,1,0]=4 4014 B10R1.29 Cc1[nH]cnc1CSCF 62a_100000751220_100015361967 [0,2,0,0,0,0|2,0,0]=4 4015 B10R1.29 Cc1[nH]cnc1CSCF 62a_100015361967_100000751220 [0,2,0,0,0,0|2,0,0]=4 4016 B10R1.29 Cc1ccnn1CCS[13CH3] 62a_100011934269_200025704644 [0,2,0,0,0,0|2,0,0]=4 4017 B10R1.29 Cc1ccnn1CCS[13CH3] 62a_200025704644_100011934269 [0,2,0,0,0,0|2,0,0]=4 4018 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [0,2,0,0,0,0|0,1,0]=3 4019 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [0,2,0,0,0,0|0,1,0]=3 4020 B10R1.29 Cc1ccsc1CNCF 34a_100000238519_100015361967 [0,2,0,0,0,0|1,1,0]=4 4021 B10R1.29 Cc1ccsc1COCF 34a_100000238368_100015361967 [0,2,0,0,0,0|0,2,0]=4 4022 B10R1.29 Cc1ccsc1COCF 7a_100000238368_100015361967 [0,2,0,0,0,0|0,2,0]=4 4023 B10R1.29 Cc1cnoc1COCF 34a_200011065769_100015361967 [0,2,0,0,0,0|1,1,0]=4 4024 B10R1.29 Cc1ncoc1COCF 34a_100000717716_100015361967 [0,2,0,0,0,0|1,1,0]=4 4025 B10R1.29 Cc1ncoc1COCF 7a_100000717716_100015361967 [0,2,0,0,0,0|1,1,0]=4 4026 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_100000057103_200025704644 [0,2,0,0,0,0|1,1,0]=4 4027 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_200025704644_100000057103 [0,2,0,0,0,0|1,1,0]=4 4028 B10R1.29 Cc1ocnc1CSCF 62a_100015361967_200000693990 [0,2,0,0,0,0|2,0,0]=4 4029 B10R1.29 Cc1ocnc1CSCF 62a_200000693990_100015361967 [0,2,0,0,0,0|2,0,0]=4 4030 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,2,0,0,0,0|2,0,0]=4 4031 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,2,0,0,0,0|2,0,0]=4 4032 B10R1.29 Cn1cccc1CNCF 34a_100011219357_100015361967 [0,2,0,0,0,0|2,0,0]=4 4033 B10R1.29 Cn1ccnc1CSCF 62a_100000700302_100015361967 [0,2,0,0,0,0|2,0,0]=4 4034 B10R1.29 Cn1ccnc1CSCF 62a_100015361967_100000700302 [0,2,0,0,0,0|2,0,0]=4 4035 B10R1.29 Cn1nccc1CSCF 62a_100000691648_100015361967 [0,2,0,0,0,0|2,0,0]=4 4036 B10R1.29 Cn1nccc1CSCF 62a_100015361967_100000691648 [0,2,0,0,0,0|2,0,0]=4 4037 B10R1.29 FCNCc1sccc1Cl 34a_100011934584_100015361967 [0,2,0,0,0,0|1,1,0]=4 4038 B10R1.29 FCOCc1sccc1Br 34a_100000702026_100015361967 [0,2,0,0,0,0|0,2,0]=4 4039 B10R1.29 FCOCc1sccc1Cl 34a_100000722387_100015361967 [0,2,0,0,0,0|0,2,0]=4 4040 B10R1.29 FCOCc1sccc1Cl 7a_100000722387_100015361967 [0,2,0,0,0,0|0,2,0]=4 4041 B10R1.29 FCSCc1ccsc1Br 62a_100009814289_100015361967 [0,2,0,0,0,0|2,0,0]=4 4042 B10R1.29 FCSCc1ccsc1Br 62a_100015361967_100009814289 [0,2,0,0,0,0|2,0,0]=4 4043 B10R1.29 FCSCc1ccsc1Cl 62a_100010167017_100015361967 [0,2,0,0,0,0|2,0,0]=4 4044 B10R1.29 FCSCc1ccsc1Cl 62a_100015361967_100010167017 [0,2,0,0,0,0|2,0,0]=4 4045 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,2,0,0,0,0|1,0,0]=3 4046 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,2,0,0,0,0|1,0,0]=3 4047 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,2,0,0,0,0|1,1,0]=4 4048 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,2,0,0,0,0|1,1,0]=4 4049 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [0,2,0,0,0,0|2,0,0]=4 4050 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [0,2,0,0,0,0|2,0,0]=4 4051 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,2,0,0,0,0|2,0,0]=4 4052 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,2,0,0,0,0|2,0,0]=4 4053 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,2,0,0,0,0|1,0,1]=4 4054 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,2,0,0,0,0|1,0,1]=4 4055 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,2,0,0,0,0|2,0,0]=4 4056 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,2,0,0,0,0|1,0,0]=3 4057 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,2,0,0,0,0|1,1,0]=4 4058 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,2,0,0,0,0|1,1,0]=4 4059 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,2,0,0,0,0|2,0,0]=4 4060 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,2,0,0,0,0|2,0,0]=4 4061 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,2,0,0,0,0|2,0,0]=4 4062 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,2,0,0,0,0|1,0,0]=3 4063 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,2,0,0,0,0|1,0,0]=3 4064 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,2,0,0,0,0|1,0,0]=3 4065 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,2,0,0,0,0|1,0,0]=3 4066 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,2,0,0,0,0|1,1,0]=4 4067 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,2,0,0,0,0|1,1,0]=4 4068 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,2,0,0,0,0|1,1,0]=4 4069 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,2,0,0,0,0|1,1,0]=4 4070 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,2,0,0,0,0|2,0,0]=4 4071 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,2,0,0,0,0|2,0,0]=4 4072 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,2,0,0,0,0|2,0,0]=4 4073 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,2,0,0,0,0|2,0,0]=4 4074 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,2,0,0,0,0|2,0,0]=4 4075 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,2,0,0,0,0|2,0,0]=4 4076 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,2,0,0,0,0|2,0,0]=4 4077 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,2,0,0,0,0|1,0,1]=4 4078 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,2,0,0,0,0|1,0,0]=3 4079 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,2,0,0,0,0|1,0,0]=3 4080 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,2,0,0,0,0|1,1,0]=4 4081 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,2,0,0,0,0|1,1,0]=4 4082 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,2,0,0,0,0|2,0,0]=4 4083 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,2,0,0,0,0|2,0,0]=4 4084 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,2,0,0,0,0|2,0,0]=4 4085 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,2,0,0,0,0|2,0,0]=4 4086 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,2,0,0,0,0|1,0,0]=3 4087 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,2,0,0,0,0|1,0,0]=3 4088 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,2,0,0,0,0|1,0,0]=3 4089 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,2,0,0,0,0|1,1,0]=4 4090 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,2,0,0,0,0|1,1,0]=4 4091 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [0,2,0,0,0,0|2,0,0]=4 4092 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [0,2,0,0,0,0|2,0,0]=4 4093 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [0,2,0,0,0,0|2,0,0]=4 4094 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,2,0,0,0,0|0,1,0]=3 4095 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,2,0,0,0,0|0,2,0]=4 4096 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,2,0,0,0,0|1,1,0]=4 4097 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [0,2,0,0,0,0|1,1,0]=4 4098 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [0,2,0,0,0,0|1,1,0]=4 4099 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000210206_100000707719 [0,2,0,0,0,0|2,0,0]=4 4100 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000707719_100000210206 [0,2,0,0,0,0|2,0,0]=4 4101 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000210206_100000728653 [0,2,0,0,0,0|2,0,0]=4 4102 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000728653_100000210206 [0,2,0,0,0,0|2,0,0]=4 4103 B10R1.66 CC(C)SCc1ccon1 62a_100000210206_100000234950 [0,2,0,0,0,0|2,0,0]=4 4104 B10R1.66 CC(C)SCc1ccon1 62a_100000234950_100000210206 [0,2,0,0,0,0|2,0,0]=4 4105 B10R1.66 CC(C)SCc1ccsc1 62a_100000210206_100011233845 [0,2,0,0,0,0|2,0,0]=4 4106 B10R1.66 CC(C)SCc1ccsc1 62a_100011261437_100000210206 [0,2,0,0,0,0|2,0,0]=4 4107 B10R1.66 CC(C)SCc1cncs1 62a_100000210206_100015185245 [0,2,0,0,0,0|1,1,0]=4 4108 B10R1.66 CC(C)SCc1cncs1 62a_100015185245_100000210206 [0,2,0,0,0,0|1,1,0]=4 4109 B10R1.66 CC(C)SCc1cscn1 62a_100000205941_100000210206 [0,2,0,0,0,0|2,0,0]=4 4110 B10R1.66 CC(C)SCc1cscn1 62a_100000210206_100000205941 [0,2,0,0,0,0|2,0,0]=4 4111 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100000210206_100016991755 [0,2,0,0,0,0|2,0,0]=4 4112 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100016991755_100000210206 [0,2,0,0,0,0|2,0,0]=4 4113 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,2,0,0,0,0|1,0,0]=3 4114 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,2,0,0,0,0|1,0,0]=3 4115 B10R1.66 CC(C)SCc1nccs1 62a_100000210206_100015184050 [0,2,0,0,0,0|1,1,0]=4 4116 B10R1.66 CC(C)SCc1nccs1 62a_100015184050_100000210206 [0,2,0,0,0,0|1,1,0]=4 4117 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,2,0,0,0,0|1,0,1]=4 4118 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,2,0,0,0,0|1,0,0]=3 4119 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,2,0,0,0,0|1,0,0]=3 4120 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,2,0,0,0,0|1,1,0]=4 4121 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,2,0,0,0,0|1,1,0]=4 4122 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,2,0,0,0,0|2,0,0]=4 4123 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,2,0,0,0,0|2,0,0]=4 4124 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,2,0,0,0,0|2,0,0]=4 4125 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,2,0,0,0,0|2,0,0]=4 4126 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,2,0,0,0,0|1,1,0]=4 4127 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,2,0,0,0,0|1,1,0]=4 4128 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,2,0,0,0,0|1,0,0]=3 4129 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,2,0,0,0,0|1,0,0]=3 4130 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,2,0,0,0,0|1,1,0]=4 4131 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,2,0,0,0,0|1,1,0]=4 4132 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,2,0,0,0,0|2,0,0]=4 4133 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,2,0,0,0,0|2,0,0]=4 4134 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,2,0,0,0,0|2,0,0]=4 4135 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,2,0,0,0,0|2,0,0]=4 4136 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,2,0,0,0,0|2,0,0]=4 4137 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,2,0,0,0,0|2,0,0]=4 4138 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,2,0,0,0,0|2,0,0]=4 4139 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,2,0,0,0,0|2,0,0]=4 4140 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,2,0,0,0,0|2,0,0]=4 4141 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,2,0,0,0,0|2,0,0]=4 4142 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,2,0,0,0,0|2,0,0]=4 4143 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,2,0,0,0,0|2,0,0]=4 4144 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,2,0,0,0,0|1,0,0]=3 4145 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,2,0,0,0,0|1,1,0]=4 4146 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,2,0,0,0,0|2,0,0]=4 4147 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,2,0,0,0,0|2,0,0]=4 4148 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,2,0,0,0,0|2,0,0]=4 4149 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,2,0,0,0,0|1,0,0]=3 4150 B10R1.64 CN(C)Cc1sccc1Br 2230a_100000767120_200000210301 [0,2,0,0,0,0|1,1,0]=4 4151 B10R1.64 CN(C)Cc1sccc1Br 269982a_100000767120_200000210301 [0,2,0,0,0,0|1,1,0]=4 4152 B10R1.64 CN(C)Cc1sccc1Br 270004a_100102631434_100000766043 [0,2,0,0,0,0|1,1,0]=4 4153 B10R1.64 CN(C)Cc1sccc1Cl 270004a_100102631434_100000722334 [0,2,0,0,0,0|1,1,0]=4 4154 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,2,0,0,0,0|2,0,0]=4 4155 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,2,0,0,0,0|2,0,0]=4 4156 B10R1.64 CN([13CH3])Cc1sccc1Br 2230a_100000767120_200025704644 [0,2,0,0,0,0|1,1,0]=4 4157 B10R1.64 CN([13CH3])Cc1sccc1Br 269982a_100000767120_200025704644 [0,2,0,0,0,0|1,1,0]=4 4158 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,2,0,0,0,0|1,0,0]=3 4159 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,2,0,0,0,0|1,0,0]=3 4160 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,2,0,0,0,0|1,0,0]=3 4161 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,2,0,0,0,0|1,0,0]=3 4162 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,2,0,0,0,0|1,0,0]=3 4163 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,2,0,0,0,0|1,1,0]=4 4164 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,2,0,0,0,0|1,1,0]=4 4165 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,2,0,0,0,0|1,1,0]=4 4166 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,2,0,0,0,0|1,1,0]=4 4167 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,2,0,0,0,0|1,1,0]=4 4168 B10R1.281 CC(C)(C)Sc1ccco1 62a_100000211941_100009814098 [0,2,0,0,0,0|2,0,0]=4 4169 B10R1.281 CC(C)(C)Sc1ccco1 62a_100009814098_100000211941 [0,2,0,0,0,0|2,0,0]=4 4170 B10R1.5 C=Cc1ccsc1CNC 271570a_100011290941_100000767120 [0,2,0,0,0,0|1,1,0]=4 4171 B10R1.5 CCn1cccc1CNC 2230a_103496549365_200000210301 [0,2,0,0,0,0|2,0,0]=4 4172 B10R1.5 CCn1cccc1CNC 270004a_106832991635_100011302050 [0,2,0,0,0,0|2,0,0]=4 4173 B10R1.5 CCn1cccc1CNC 34a_103496549365_200000210301 [0,2,0,0,0,0|2,0,0]=4 4174 B10R1.5 CCn1cccc1CN[13CH3] 2230a_103496549365_200025704644 [0,2,0,0,0,0|2,0,0]=4 4175 B10R1.5 CCn1cccc1CN[13CH3] 34a_103496549365_200025704644 [0,2,0,0,0,0|2,0,0]=4 4176 B10R1.5 CCn1cncc1CSC 62a_100015185705_200000210301 [0,2,0,0,0,0|2,0,0]=4 4177 B10R1.5 CCn1cncc1CSC 62a_200000210301_100015185705 [0,2,0,0,0,0|2,0,0]=4 4178 B10R1.5 CCn1cncc1CS[13CH3] 62a_100015185705_200025704644 [0,2,0,0,0,0|2,0,0]=4 4179 B10R1.5 CCn1cncc1CS[13CH3] 62a_200025704644_100015185705 [0,2,0,0,0,0|2,0,0]=4 4180 B10R1.5 CCn1nccc1CSC 62a_100025719316_200000210301 [0,2,0,0,0,0|2,0,0]=4 4181 B10R1.5 CCn1nccc1CSC 62a_200000210301_100025719316 [0,2,0,0,0,0|2,0,0]=4 4182 B10R1.5 CCn1nccc1CS[13CH3] 62a_100025719316_200025704644 [0,2,0,0,0,0|2,0,0]=4 4183 B10R1.5 CCn1nccc1CS[13CH3] 62a_200025704644_100025719316 [0,2,0,0,0,0|2,0,0]=4 4184 B10R1.5 CNCc1occc1OC 207a_100102657272_200009856553 [0,2,0,0,0,0|1,0,0]=3 4185 B10R1.5 CNCc1occc1OC 270004a_106832991635_200009856553 [0,2,0,0,0,0|1,0,0]=3 4186 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [0,2,0,0,0,0|1,1,0]=4 4187 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [0,2,0,0,0,0|1,1,0]=4 4188 B10R1.5 CNCc1sccc1SC 62a_100000767120_200000210301 [0,2,0,0,0,0|1,1,0]=4 4189 B10R1.5 CNCc1sccc1SC 62a_200000210301_100000767120 [0,2,0,0,0,0|1,1,0]=4 4190 B10R1.5 CNCc1sccc1S[13CH3] 62a_100000767120_200025704644 [0,2,0,0,0,0|1,1,0]=4 4191 B10R1.5 CNCc1sccc1S[13CH3] 62a_200025704644_100000767120 [0,2,0,0,0,0|1,1,0]=4 4192 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,0,1,1,0,0|1,0,1]=4 4193 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,0,1,1,0,0|1,0,1]=4 4194 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,0,1,1,0,0|1,0,1]=4 4195 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,0,1,1,0,0|1,0,1]=4 4196 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,0,1,1,0,0|1,0,1]=4 4197 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,0,1,1,0,0|1,0,1]=4 4198 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,0,1,1,0,0|1,0,1]=4 4199 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,0,1,1,0,0|1,0,1]=4 4200 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,0,1,1,0,0|1,0,1]=4 4201 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,0,1,1,0,0|1,0,1]=4 4202 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,0,1,1,0,0|1,0,1]=4 4203 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,0,1,1,0,0|1,0,1]=4 4204 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,0,1,1,0,0|1,0,1]=4 4205 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,1,1,0,0|1,0,1]=4 4206 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,1,1,0,0|2,0,0]=4 4207 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,1,1,0,0|1,0,1]=4 4208 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,1,1,0,0|1,0,1]=4 4209 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,1,1,0,0|2,0,0]=4 4210 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [0,0,0,1,0,1|2,0,0]=4 4211 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [0,0,0,1,0,1|2,0,0]=4 4212 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [0,0,0,1,0,1|2,0,0]=4 4213 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [0,0,0,1,0,1|2,0,0]=4 4214 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,1,0,1|2,0,0]=4 4215 B10R2.6 c1cnc(nc1)C2CC2 271570a_100011220607_100000211032 [0,0,0,1,0,1|2,0,0]=4 4216 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [0,0,0,1,0,1|2,0,0]=4 4217 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [0,0,0,1,0,1|2,0,0]=4 4218 B10R2.14 Brc1ccc(s1)C2CC2 271570a_100011220607_100010197418 [0,1,0,1,0,0|1,1,0]=4 4219 B10R2.14 Cc1ccc(s1)C2CC2 271570a_100011220607_100000761539 [0,1,0,1,0,0|1,1,0]=4 4220 B10R2.14 Cc1csc(c1)C2CC2 271570a_100011220607_100009876951 [0,1,0,1,0,0|1,1,0]=4 4221 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [0,1,0,1,0,0|1,0,0]=3 4222 B10R2.193 c1coc(n1)SC2CC2 62a_100011787736_100000211595 [0,1,0,1,0,0|2,0,0]=4 4223 B10R2.193 c1csc(c1)SC2CC2 62a_100011215356_100000211595 [0,1,0,1,0,0|1,1,0]=4 4224 B10R2.193 c1ncc(o1)SC2CC2 62a_100020591547_100000211595 [0,1,0,1,0,0|2,0,0]=4 4225 B10R2.21 Brc1ccsc1C2CC2 271570a_100011220607_100012361411 [0,1,0,1,0,0|1,1,0]=4 4226 B10R2.21 Cc1ccsc1C2CC2 271570a_100011220607_100000742657 [0,1,0,1,0,0|1,1,0]=4 4227 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,0,0,2,0|0,0,2]=4 4228 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,0,0,2,0|0,0,2]=4 4229 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,0,0,2,0|0,0,2]=4 4230 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,0,0,2,0|0,0,2]=4 4231 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,0,0,2,0|0,0,2]=4 4232 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,0,0,2,0|0,0,2]=4 4233 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,0,0,2,0|0,0,2]=4 4234 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,0,0,2,0|0,0,2]=4