0 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CCSc1c[nH]nn1 62a_100000210202_100009819707 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CCSc1c[nH]nn1 62a_100009819707_100000210202 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.8 CCSc1cn[nH]c1 62a_100000210202_100000238712 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.8 CCSc1cn[nH]c1 62a_100000238712_100000210202 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.8 CCSc1cnoc1 62a_100000210202_100009815712 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.8 CCSc1cnoc1 62a_100009815712_100000210202 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.8 CCSc1cnsc1 62a_100000210202_100009815736 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.8 CCSc1cnsc1 62a_100009815736_100000210202 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [0,0,0,0,0,0|3,0,1]=4 54 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [0,0,0,0,0,0|3,0,1]=4 55 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.8 CNCc1csnn1 270004a_106832991635_100000738508 [0,0,0,0,0,0|3,0,1]=4 73 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.8 CNCc1nnc[nH]1 2230a_200015183720_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B8R1.8 CNCc1nnn[nH]1 34a_100102657272_100000765167 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.8 CNCc1nnn[nH]1 7a_106832991635_100000765167 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,0,0,0,0,0|2,0,0]=2 83 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,0,0,0,0,0|3,0,0]=3 84 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,0,0,0,0,0|3,0,1]=4 86 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.8 COCc1nnn[nH]1 34a_100138415774_100000765167 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,0,0,0,0,0|2,0,0]=2 93 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,0,0,0,0,0|3,0,1]=4 94 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,0,0,0,0,0|3,0,1]=4 95 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,0,0,0,0,0|4,0,0]=4 96 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,0,0,0,0,0|4,0,0]=4 97 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,0,0,0,0,0|4,0,0]=4 98 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,0,0,0,0,0|4,0,0]=4 99 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,0,0,0,0,0|4,0,0]=4 100 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,0,0,0,0,0|4,0,0]=4 101 B8R1.8 CSCc1nnn[nH]1 62a_100000765167_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B8R1.8 CSCc1nnn[nH]1 62a_200000210301_100000765167 [0,0,0,0,0,0|4,0,0]=4 103 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,0,0,0,0,0|4,0,0]=4 104 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,0,0,0,0,0|4,0,0]=4 105 B8R1.8 FCSc1c[nH]nn1 62a_100009819707_100015361967 [0,0,0,0,0,0|3,0,1]=4 106 B8R1.8 FCSc1c[nH]nn1 62a_100015361967_100009819707 [0,0,0,0,0,0|3,0,1]=4 107 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,0,0,0,0,0|2,0,2]=4 108 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,0,0,0,0,0|2,0,2]=4 109 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,0,0,0,0,0|4,0,0]=4 110 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,0,0,0,0,0|4,0,0]=4 111 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,0,0,0,0,0|4,0,0]=4 112 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,0,0,0,0,0|4,0,0]=4 113 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,0,0,0,0,0|4,0,0]=4 114 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,0,0,0,0,0|4,0,0]=4 115 B8R1.8 FCSc1ccon1 62a_100009818083_100015361967 [0,0,0,0,0,0|3,0,1]=4 116 B8R1.8 FCSc1ccon1 62a_100015361967_100009818083 [0,0,0,0,0,0|3,0,1]=4 117 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,0,0,0,0,0|4,0,0]=4 118 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,0,0,0,0,0|4,0,0]=4 119 B8R1.8 FCSc1ccsn1 62a_100009818082_100015361967 [0,0,0,0,0,0|3,0,1]=4 120 B8R1.8 FCSc1ccsn1 62a_100015361967_100009818082 [0,0,0,0,0,0|3,0,1]=4 121 B8R1.8 FCSc1cn[nH]c1 62a_100000238712_100015361967 [0,0,0,0,0,0|4,0,0]=4 122 B8R1.8 FCSc1cn[nH]c1 62a_100015361967_100000238712 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,0,0,0,0,0|4,0,0]=4 124 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,0,0,0,0,0|4,0,0]=4 125 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,0,0,0,0,0|4,0,0]=4 126 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,0,0,0,0,0|4,0,0]=4 127 B8R1.8 FCSc1cnoc1 62a_100009815712_100015361967 [0,0,0,0,0,0|4,0,0]=4 128 B8R1.8 FCSc1cnoc1 62a_100015361967_100009815712 [0,0,0,0,0,0|4,0,0]=4 129 B8R1.8 FCSc1cnsc1 62a_100009815736_100015361967 [0,0,0,0,0,0|4,0,0]=4 130 B8R1.8 FCSc1cnsc1 62a_100015361967_100009815736 [0,0,0,0,0,0|4,0,0]=4 131 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [0,0,0,0,0,0|4,0,0]=4 132 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [0,0,0,0,0,0|4,0,0]=4 133 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [0,0,0,0,0,0|4,0,0]=4 134 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [0,0,0,0,0,0|4,0,0]=4 135 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [0,0,0,0,0,0|3,0,1]=4 136 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [0,0,0,0,0,0|3,0,1]=4 137 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,0,0,0,0,0|4,0,0]=4 138 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,0,0,0,0,0|4,0,0]=4 139 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,0,0,0,0,0|4,0,0]=4 141 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,0,0,0,0,0|4,0,0]=4 142 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,0,0,0,0,0|4,0,0]=4 145 B8R1.8 [13CH3]NCc1nnc[nH]1 2230a_200015183720_200025704644 [0,0,0,0,0,0|3,0,1]=4 146 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,0,0,0,0,0|4,0,0]=4 147 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,0,0,0,0,0|4,0,0]=4 148 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,0,0,0,0,0|3,0,0]=3 149 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,0,0,0,0,0|4,0,0]=4 150 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,0,0,0,0,0|4,0,0]=4 151 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,0,0,0,0,0|2,0,0]=2 152 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,0,0,0,0,0|2,0,0]=2 153 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,0,0,0,0,0|3,0,1]=4 154 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,0,0,0,0,0|3,0,1]=4 155 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,0,0,0,0,0|4,0,0]=4 156 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,0,0,0,0,0|4,0,0]=4 157 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,0,0,0,0,0|4,0,0]=4 158 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,0,0,0,0,0|4,0,0]=4 159 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,0,0,0,0,0|4,0,0]=4 161 B8R1.8 [13CH3]SCc1nnn[nH]1 62a_100000765167_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B8R1.8 [13CH3]SCc1nnn[nH]1 62a_200025704644_100000765167 [0,0,0,0,0,0|4,0,0]=4 163 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [1,0,0,0,0,0|2,0,1]=4 165 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [1,0,0,0,0,0|2,0,1]=4 168 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [1,0,0,0,0,0|2,0,1]=4 169 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,0,0,0,0,0|1,0,2]=4 171 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|3,0,0]=4 172 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|3,0,0]=4 173 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|3,0,0]=4 174 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|3,0,0]=4 175 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,0,0|3,0,0]=4 176 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,0,0|3,0,0]=4 177 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,0,0,0,0,0|2,0,1]=4 179 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,0,0|3,0,0]=4 181 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,0,0,0|2,0,1]=4 183 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,0,0,0,0,0|3,0,0]=4 185 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,0,0|3,0,0]=4 189 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [1,0,0,0,0,0|3,0,0]=4 191 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,0,0,0,0,0|3,0,0]=4 197 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,0,0,0,0,0|2,0,1]=4 198 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,0,0,0,0,0|2,0,1]=4 199 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 201 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [1,0,0,0,0,0|2,0,1]=4 203 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,0,0,0,0,0|1,0,2]=4 204 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,0,0,0,0,0|1,0,2]=4 205 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|3,0,0]=4 207 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|3,0,0]=4 209 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,0,0|3,0,0]=4 211 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,0,0,0,0,0|2,0,1]=4 212 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,0,0,0,0,0|2,0,1]=4 213 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,0,0,0|2,0,1]=4 216 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,0,0,0|2,0,1]=4 217 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,0,0,0,0,0|3,0,0]=4 219 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,0,0|3,0,0]=4 223 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [1,0,0,0,0,0|3,0,0]=4 224 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [1,0,0,0,0,0|3,0,0]=4 225 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [1,0,0,0,0,0|3,0,0]=4 227 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|3,0,0]=4 228 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|3,0,0]=4 229 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,0,0,0,0,0|3,0,0]=4 230 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,0,0,0,0,0|3,0,0]=4 231 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.7 C=C=Cc1cc(n[nH]1)Br 271570a_100015277604_100160470719 [0,1,0,0,0,0|1,0,2]=4 234 B9R1.7 CC=Cc1cc(n[nH]1)Br 271570a_100016259895_100160470719 [0,1,0,0,0,0|1,0,2]=4 235 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.7 CCCc1cn(nn1)C 274090a_200000210301_100000038952 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.7 CCCc1cn(nn1)[13CH3] 274090a_200025704644_100000038952 [0,1,0,0,0,0|2,0,1]=4 238 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.7 CCCn1cc(nn1)C 274090a_100000210303_200000242740 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.7 CCSc1cc(n[nH]1)Br 62a_100000210202_100160470719 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.7 CCSc1cc(n[nH]1)Br 62a_100160470719_100000210202 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.7 CCSc1cc(ns1)C 62a_100000210202_100009815735 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.7 CCSc1cc(ns1)C 62a_100009815735_100000210202 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.7 CNCc1cc(n[nH]1)C 207a_100102657272_100000028150 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.7 CNCc1cc(n[nH]1)C 270004a_106832991635_100000028150 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.7 Cc1cc(sn1)SCF 62a_100009815735_100015361967 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.7 Cc1cc(sn1)SCF 62a_100015361967_100009815735 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.7 Cc1cn(nn1)CCF 274090a_100011217306_200000242740 [0,1,0,0,0,0|2,0,1]=4 274 B9R1.7 Cc1cn(nn1)CCO 274090a_100000211926_200000242740 [0,1,0,0,0,0|2,0,1]=4 275 B9R1.7 Cc1noc(n1)CCO 270196a_100000212224_100011216618 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.7 Cn1cc(nn1)CCBr 274090a_200000210301_100000688953 [0,1,0,0,0,0|2,0,1]=4 277 B9R1.7 Cn1cc(nn1)CCCl 274090a_200000210301_100000753159 [0,1,0,0,0,0|2,0,1]=4 278 B9R1.7 Cn1cc(nn1)CCI 274090a_200000210301_100000730999 [0,1,0,0,0,0|2,0,1]=4 279 B9R1.7 Cn1cc(nn1)CCN 274090a_200000210301_100000755551 [0,1,0,0,0,0|1,0,1]=3 280 B9R1.7 Cn1cc(nn1)CCO 274090a_200000210301_100011215631 [0,1,0,0,0,0|2,0,1]=4 281 B9R1.7 Cn1cc(nn1)CON 274090a_200000210301_100000732762 [0,1,0,0,0,0|2,0,1]=4 282 B9R1.7 FCSc1cc(n[nH]1)Br 62a_100015361967_100160470719 [0,1,0,0,0,0|2,0,0]=3 283 B9R1.7 FCSc1cc(n[nH]1)Br 62a_100160470719_100015361967 [0,1,0,0,0,0|2,0,0]=3 284 B9R1.7 NCCn1cc(cn1)O 271570a_203496583355_100000730845 [0,1,0,0,0,0|2,0,1]=4 285 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.7 [13CH3]n1cc(nn1)CCBr 274090a_200025704644_100000688953 [0,1,0,0,0,0|2,0,1]=4 291 B9R1.7 [13CH3]n1cc(nn1)CCCl 274090a_200025704644_100000753159 [0,1,0,0,0,0|2,0,1]=4 292 B9R1.7 [13CH3]n1cc(nn1)CCI 274090a_200025704644_100000730999 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.7 [13CH3]n1cc(nn1)CCN 274090a_200025704644_100000755551 [0,1,0,0,0,0|1,0,1]=3 294 B9R1.7 [13CH3]n1cc(nn1)CCO 274090a_200025704644_100011215631 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.7 [13CH3]n1cc(nn1)CON 274090a_200025704644_100000732762 [0,1,0,0,0,0|2,0,1]=4 296 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,1,0,0,0,0|1,0,2]=4 299 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,1,0,0,0,0|2,0,1]=4 304 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [0,1,0,0,0,0|2,0,1]=4 312 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.12 CCCSc1c[nH]nn1 62a_100000210303_100009819707 [0,1,0,0,0,0|2,0,1]=4 315 B9R1.12 CCCSc1c[nH]nn1 62a_100009819707_100000210303 [0,1,0,0,0,0|2,0,1]=4 316 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,1,0,0,0,0|1,0,2]=4 317 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,1,0,0,0,0|1,0,2]=4 318 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,1,0,0,0,0|2,0,1]=4 325 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,1,0,0,0,0|2,0,1]=4 326 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,1,0,0,0,0|2,0,1]=4 329 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,1,0,0,0,0|2,0,1]=4 330 B9R1.12 CCCSc1cn[nH]c1 62a_100000210303_100000238712 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.12 CCCSc1cn[nH]c1 62a_100000238712_100000210303 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.12 CCCSc1cnoc1 62a_100000210303_100009815712 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.12 CCCSc1cnoc1 62a_100009815712_100000210303 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.12 CCCSc1cnsc1 62a_100000210303_100009815736 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.12 CCCSc1cnsc1 62a_100009815736_100000210303 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.12 CCCSc1ncns1 62a_100000210303_100000693119 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.12 CCCSc1ncns1 62a_100000693119_100000210303 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.12 CCCSc1nncs1 62a_100000210303_100000739804 [0,1,0,0,0,0|2,0,1]=4 345 B9R1.12 CCCSc1nncs1 62a_100000739804_100000210303 [0,1,0,0,0,0|2,0,1]=4 346 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,1,0,0,0,0|1,0,2]=4 347 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,1,0,0,0,0|1,0,2]=4 348 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,1,0,0,0,0|1,0,0]=2 356 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,1,0,0,0,0|2,0,1]=4 361 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.12 CCNCc1cn[nH]c1 207a_100015525214_100016992096 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.12 CCNCc1cn[nH]c1 270004a_100015525214_100016992096 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.12 CCNCc1csnn1 270004a_100015525214_100000738508 [0,1,0,0,0,0|2,0,1]=4 375 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.12 CCNCc1nnc[nH]1 2230a_200015183720_100000210202 [0,1,0,0,0,0|2,0,1]=4 378 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,1,0,0,0,0|2,0,0]=3 382 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,1,0,0,0,0|2,0,1]=4 384 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,1,0,0,0,0|3,0,0]=4 388 B9R1.12 CCOCc1nnn[nH]1 34a_100121572206_100000765167 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,1,0,0,0,0|1,0,0]=2 390 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,1,0,0,0,0|1,0,0]=2 391 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,1,0,0,0,0|2,0,1]=4 392 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,1,0,0,0,0|2,0,1]=4 393 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.12 CCSCc1nnn[nH]1 62a_100000210202_100000765167 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.12 CCSCc1nnn[nH]1 62a_100000765167_100000210202 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,1,0,0,0,0|2,0,1]=4 402 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,1,0,0,0,0|2,0,1]=4 403 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,1,0,0,0,0|2,0,0]=3 404 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,1,0,0,0,0|2,0,0]=3 405 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,1,0,0,0,0|2,0,0]=3 406 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,1,0,0,0,0|2,0,0]=3 407 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,1,0,0,0,0|2,0,0]=3 408 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,1,0,0,0,0|2,0,0]=3 412 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,1,0,0,0,0|2,0,1]=4 417 B9R1.12 CNCCc1nnn[nH]1 7a_106832991635_100000031946 [0,1,0,0,0,0|2,0,0]=3 418 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,1,0,0,0,0|2,0,1]=4 422 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,1,0,0,0,0|2,0,1]=4 423 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,1,0,0,0,0|2,0,1]=4 424 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,1,0,0,0,0|2,0,1]=4 425 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [0,1,0,0,0,0|2,0,0]=3 426 B9R1.12 CNCCn1cncn1 2230a_106832991635_100000731791 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.12 CNCCn1cncn1 2230a_200000738561_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.12 CNCCn1cncn1 34a_100102657272_200000749826 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.12 CNCCn1cncn1 7a_106832991635_100000731791 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,1,0,0,0,0|3,0,0]=4 432 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.12 COCCc1cn[nH]c1 34a_100000766553_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.12 COCCc1cnoc1 34a_100000732699_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.12 COCCn1ccnc1 34a_100000719764_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.12 COCCn1ccnn1 34a_100000080814_200000210301 [0,1,0,0,0,0|2,0,1]=4 439 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.12 CSCCc1cn[nH]c1 62a_100000743252_200000210301 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.12 CSCCc1cn[nH]c1 62a_200000210301_100000743252 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.12 CSCCc1nnn[nH]1 62a_100000031946_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.12 CSCCc1nnn[nH]1 62a_200000210301_100000031946 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.12 CSCCn1ccnc1 62a_100000702546_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.12 CSCCn1ccnc1 62a_200000210301_100000702546 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.12 FCCSc1c[nH]nn1 62a_100009819707_100011217306 [0,1,0,0,0,0|2,0,1]=4 450 B9R1.12 FCCSc1c[nH]nn1 62a_100011217306_100009819707 [0,1,0,0,0,0|2,0,1]=4 451 B9R1.12 FCCSc1cc[nH]n1 62a_100000062575_100011217306 [0,1,0,0,0,0|1,0,2]=4 452 B9R1.12 FCCSc1cc[nH]n1 62a_100011217306_100000062575 [0,1,0,0,0,0|1,0,2]=4 453 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.12 FCCSc1ccoc1 62a_100011215275_100011217306 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.12 FCCSc1ccoc1 62a_100011217306_100011215275 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.12 FCCSc1ccon1 62a_100009818083_100011217306 [0,1,0,0,0,0|2,0,1]=4 460 B9R1.12 FCCSc1ccon1 62a_100011217306_100009818083 [0,1,0,0,0,0|2,0,1]=4 461 B9R1.12 FCCSc1ccsc1 62a_100000738268_100011217306 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.12 FCCSc1ccsc1 62a_100011217306_100000738268 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.12 FCCSc1ccsn1 62a_100009818082_100011217306 [0,1,0,0,0,0|2,0,1]=4 464 B9R1.12 FCCSc1ccsn1 62a_100011217306_100009818082 [0,1,0,0,0,0|2,0,1]=4 465 B9R1.12 FCCSc1cn[nH]c1 62a_100000238712_100011217306 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.12 FCCSc1cn[nH]c1 62a_100011217306_100000238712 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.12 FCCSc1cncs1 62a_100011217306_100011934649 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.12 FCCSc1cncs1 62a_100011934649_100011217306 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.12 FCCSc1cnoc1 62a_100009815712_100011217306 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.12 FCCSc1cnoc1 62a_100011217306_100009815712 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.12 FCCSc1cnsc1 62a_100009815736_100011217306 [0,1,0,0,0,0|3,0,0]=4 474 B9R1.12 FCCSc1cnsc1 62a_100011217306_100009815736 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.12 FCCSc1ncns1 62a_100000693119_100011217306 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.12 FCCSc1ncns1 62a_100011217306_100000693119 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.12 FCCSc1nncs1 62a_100000739804_100011217306 [0,1,0,0,0,0|2,0,1]=4 480 B9R1.12 FCCSc1nncs1 62a_100011217306_100000739804 [0,1,0,0,0,0|2,0,1]=4 481 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,1,0,0,0,0|1,0,0]=2 490 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,1,0,0,0,0|1,0,0]=2 491 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,1,0,0,0,0|2,0,1]=4 492 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,1,0,0,0,0|2,0,1]=4 493 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,1,0,0,0,0|3,0,0]=4 496 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.12 FCSCc1nnn[nH]1 62a_100000765167_100015361967 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.12 FCSCc1nnn[nH]1 62a_100015361967_100000765167 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.12 OCCNc1ncns1 27a_100000210304_100000693119 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.12 OCCNc1nncs1 27a_100000210304_100000739804 [0,1,0,0,0,0|2,0,1]=4 503 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.12 OCCSc1c[nH]nn1 62a_100000211926_100009819707 [0,1,0,0,0,0|2,0,1]=4 506 B9R1.12 OCCSc1c[nH]nn1 62a_100009819707_100000211926 [0,1,0,0,0,0|2,0,1]=4 507 B9R1.12 OCCSc1cc[nH]n1 62a_100000062575_100000211926 [0,1,0,0,0,0|1,0,2]=4 508 B9R1.12 OCCSc1cc[nH]n1 62a_100000211926_100000062575 [0,1,0,0,0,0|1,0,2]=4 509 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.12 OCCSc1ccon1 62a_100000211926_100009818083 [0,1,0,0,0,0|2,0,1]=4 516 B9R1.12 OCCSc1ccon1 62a_100009818083_100000211926 [0,1,0,0,0,0|2,0,1]=4 517 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.12 OCCSc1ccsn1 62a_100000211926_100009818082 [0,1,0,0,0,0|2,0,1]=4 520 B9R1.12 OCCSc1ccsn1 62a_100009818082_100000211926 [0,1,0,0,0,0|2,0,1]=4 521 B9R1.12 OCCSc1cn[nH]c1 62a_100000211926_100000238712 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.12 OCCSc1cn[nH]c1 62a_100000238712_100000211926 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.12 OCCSc1cnoc1 62a_100000211926_100009815712 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.12 OCCSc1cnoc1 62a_100009815712_100000211926 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.12 OCCSc1cnsc1 62a_100000211926_100009815736 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.12 OCCSc1cnsc1 62a_100009815736_100000211926 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.12 OCCSc1ncns1 62a_100000211926_100000693119 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.12 OCCSc1ncns1 62a_100000693119_100000211926 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.12 OCCSc1nncs1 62a_100000211926_100000739804 [0,1,0,0,0,0|2,0,1]=4 536 B9R1.12 OCCSc1nncs1 62a_100000739804_100000211926 [0,1,0,0,0,0|2,0,1]=4 537 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,1,0,0,0,0|2,0,0]=3 538 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,1,0,0,0,0|2,0,0]=3 539 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,1,0,0,0,0|2,0,0]=3 541 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,1,0,0,0,0|2,0,0]=3 542 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,1,0,0,0,0|2,0,0]=3 543 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [0,1,0,0,0,0|2,0,0]=3 544 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,1,0,0,0,0|2,0,1]=4 546 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,1,0,0,0,0|2,0,1]=4 548 B9R1.12 [13CH3]NCCn1cncn1 2230a_200000738561_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.12 [13CH3]OCCc1cn[nH]c1 34a_100000766553_200025704644 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.12 [13CH3]OCCc1cnoc1 34a_100000732699_200025704644 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.12 [13CH3]OCCn1ccnc1 34a_100000719764_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.12 [13CH3]OCCn1ccnn1 34a_100000080814_200025704644 [0,1,0,0,0,0|2,0,1]=4 557 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_100000743252_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_200025704644_100000743252 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.12 [13CH3]SCCc1nnn[nH]1 62a_100000031946_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.12 [13CH3]SCCc1nnn[nH]1 62a_200025704644_100000031946 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.12 [13CH3]SCCn1ccnc1 62a_100000702546_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.12 [13CH3]SCCn1ccnc1 62a_200025704644_100000702546 [0,1,0,0,0,0|3,0,0]=4 565 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,1,0,0,0,0|2,0,1]=4 566 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,1,0,0,0,0|1,0,1]=3 567 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,1,0,0,0,0|1,0,1]=3 568 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [0,1,0,0,0,0|2,0,0]=3 569 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [0,1,0,0,0,0|2,0,0]=3 570 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,1,0,0,0,0|2,0,1]=4 571 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,1,0,0,0,0|1,0,1]=3 572 B9R1.33 C=C=Cc1ccnn1C 271570a_100015277604_100000688441 [0,1,0,0,0,0|1,0,2]=4 573 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [0,1,0,0,0,0|1,0,2]=4 574 B9R1.33 CCNc1ncnn1C 27a_100015525214_100000732653 [0,1,0,0,0,0|3,0,0]=4 575 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.33 CCSc1ncnn1C 62a_100000210202_100000732653 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.33 CCSc1ncnn1C 62a_100000732653_100000210202 [0,1,0,0,0,0|3,0,0]=4 580 B9R1.33 CNCc1[nH]ncc1Br 207a_100102657272_100000732679 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.33 CNCc1[nH]ncc1Br 270004a_106832991635_100000732679 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.33 CNCc1[nH]ncc1C 207a_100102657272_100000708485 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.33 CNCc1[nH]ncc1C 270004a_106832991635_100000708485 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,1,0,0,0,0|3,0,0]=4 585 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [0,1,0,0,0,0|2,0,0]=3 592 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,1,0,0,0,0|2,0,0]=3 594 B9R1.33 COCc1ncnn1C 7a_100000688323_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,1,0,0,0,0|2,0,0]=3 598 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [0,1,0,0,0,0|2,0,0]=3 601 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,1,0,0,0,0|2,0,0]=3 602 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,1,0,0,0,0|2,0,0]=3 603 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,1,0,0,0,0|2,0,0]=3 604 B9R1.33 Cn1nccc1OCF 34a_100020632926_100015361967 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.33 Cn1nccc1SCF 62a_100000688441_100015361967 [0,1,0,0,0,0|2,0,0]=3 606 B9R1.33 Cn1nccc1SCF 62a_100015361967_100000688441 [0,1,0,0,0,0|2,0,0]=3 607 B9R1.33 Cn1ncnc1CO[13CH3] 7a_100000688323_200025704644 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.33 Cn1ncnc1SCF 62a_100000732653_100015361967 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.33 Cn1ncnc1SCF 62a_100015361967_100000732653 [0,1,0,0,0,0|3,0,0]=4 610 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,0,1,0,0,0|3,0,0]=4 611 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,0,1,0,0,0|2,0,1]=4 612 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,0,1,0,0,0|2,0,1]=4 613 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,0,1,0,0,0|2,0,1]=4 614 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,0,1,0,0,0|2,0,1]=4 615 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,0,1,0,0,0|2,0,1]=4 616 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,0,1,0,0,0|2,0,1]=4 617 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,0,1,0,0,0|2,0,1]=4 618 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,0,1,0,0,0|2,0,1]=4 619 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,0,1,0,0,0|1,0,2]=4 620 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,1,0,0,0|3,0,0]=4 621 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,1,0,0,0|3,0,0]=4 622 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,1,0,0,0|3,0,0]=4 623 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,1,0,0,0|3,0,0]=4 624 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,1,0,0,0|3,0,0]=4 625 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,1,0,0,0|3,0,0]=4 626 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,0,1,0,0,0|3,0,0]=4 627 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,0,1,0,0,0|3,0,0]=4 628 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,0,1,0,0,0|3,0,0]=4 629 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,0,1,0,0,0|3,0,0]=4 630 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,0,1,0,0,0|3,0,0]=4 631 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,0,1,0,0,0|3,0,0]=4 632 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [0,0,0,1,0,0|3,0,0]=4 633 B9R2.2 c1cc(co1)C2CC2 271570a_100011220607_100011215275 [0,0,0,1,0,0|3,0,0]=4 634 B9R2.2 c1cc(cs1)C2CC2 271570a_100011220607_100000738268 [0,0,0,1,0,0|3,0,0]=4 635 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [0,0,0,1,0,0|1,0,2]=4 636 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [0,0,0,1,0,0|2,0,1]=4 637 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,0,0,1,0,0|3,0,0]=4 638 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,1,0,0|3,0,0]=4 639 B9R2.2 c1n[nH]cc1C2CC2 271570a_100011220607_100000238712 [0,0,0,1,0,0|3,0,0]=4 640 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [0,0,0,1,0,0|3,0,0]=4 641 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [0,0,0,1,0,0|3,0,0]=4 642 B9R2.2 c1nnc(s1)C2CC2 271570a_100011220607_100000739804 [0,0,0,1,0,0|2,0,1]=4 643 B9R2.2 c1nocc1C2CC2 271570a_100011220607_100009815712 [0,0,0,1,0,0|3,0,0]=4 644 B9R2.2 c1nsc(n1)C2CC2 271570a_100011220607_100000693119 [0,0,0,1,0,0|3,0,0]=4 645 B9R2.2 c1nscc1C2CC2 271570a_100011220607_100009815736 [0,0,0,1,0,0|3,0,0]=4 646 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,0,0,0,0,1|2,0,1]=4 647 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,0,0,0,0,1|2,0,1]=4 648 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,0,0,0,0,1|3,0,0]=4 649 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 650 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,0,0,0,0,1|3,0,0]=4 651 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,0,0,0,0,1|3,0,0]=4 652 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [0,0,0,0,0,1|2,0,1]=4 653 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [0,0,0,0,0,1|3,0,0]=4 654 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,0,0,0,0,1|3,0,0]=4 655 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,0,0,0,0,1|3,0,0]=4 656 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [0,0,0,0,0,1|2,0,1]=4 657 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [0,0,0,0,0,1|2,0,1]=4 658 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,0,0,0,0,1|3,0,0]=4 659 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,0,0,0,0,1|3,0,0]=4 660 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,0,0,0,0,1|2,0,1]=4 661 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,0,0,0,0,1|2,0,1]=4 662 B9R1.8 CCSc1ccnnc1 62a_100000210202_100000732662 [0,0,0,0,0,1|2,0,1]=4 663 B9R1.8 CCSc1ccnnc1 62a_100000732662_100000210202 [0,0,0,0,0,1|2,0,1]=4 664 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,0,0,0,0,1|3,0,0]=4 665 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,0,0,0,0,1|3,0,0]=4 666 B9R1.8 CCSc1cncnc1 62a_100000210202_100011206942 [0,0,0,0,0,1|3,0,0]=4 667 B9R1.8 CCSc1cncnc1 62a_100011206942_100000210202 [0,0,0,0,0,1|3,0,0]=4 668 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,0,0,0,0,1|3,0,0]=4 669 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,0,0,0,0,1|3,0,0]=4 670 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,0,0,0,0,1|3,0,0]=4 671 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,0,0,0,0,1|3,0,0]=4 672 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,0,0,0,0,1|3,0,0]=4 673 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [0,0,0,0,0,1|2,0,1]=4 674 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [0,0,0,0,0,1|2,0,1]=4 675 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [0,0,0,0,0,1|2,0,1]=4 676 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [0,0,0,0,0,1|2,0,1]=4 677 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,0,0,0,0,1|3,0,0]=4 678 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,0,0,0,0,1|3,0,0]=4 679 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,0,0,0,0,1|3,0,0]=4 680 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [0,0,0,0,0,1|2,0,1]=4 681 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,0,0,0,0,1|3,0,0]=4 682 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,0,0,0,0,1|3,0,0]=4 683 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,0,0,0,0,1|3,0,0]=4 684 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,0,0,0,0,1|3,0,0]=4 685 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [0,0,0,0,0,1|3,0,0]=4 686 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [0,0,0,0,0,1|3,0,0]=4 687 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [0,0,0,0,0,1|3,0,0]=4 688 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [0,0,0,0,0,1|3,0,0]=4 689 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [0,0,0,0,0,1|3,0,0]=4 690 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,0,0,0,0,1|3,0,0]=4 691 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,0,0,0,0,1|2,0,1]=4 692 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,0,0,0,0,1|3,0,0]=4 693 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [0,0,0,0,0,1|3,0,0]=4 694 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,0,0,0,0,1|3,0,0]=4 695 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,0,0,0,0,1|3,0,0]=4 696 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [0,0,0,0,0,1|2,0,1]=4 697 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [0,0,0,0,0,1|2,0,1]=4 698 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,0,0,0,0,1|3,0,0]=4 699 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,0,0,0,0,1|3,0,0]=4 700 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,0,0,0,0,1|3,0,0]=4 701 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,0,0,0,0,1|3,0,0]=4 702 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [0,0,0,0,0,1|3,0,0]=4 703 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [0,0,0,0,0,1|3,0,0]=4 704 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [0,0,0,0,0,1|3,0,0]=4 705 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [0,0,0,0,0,1|3,0,0]=4 706 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [0,0,0,0,0,1|3,0,0]=4 707 B9R1.8 FCOc1ccnnc1 34a_100015204005_100015361967 [0,0,0,0,0,1|2,0,1]=4 708 B9R1.8 FCOc1cncnc1 7a_100000754086_100015361967 [0,0,0,0,0,1|3,0,0]=4 709 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [0,0,0,0,0,1|3,0,0]=4 710 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [0,0,0,0,0,1|3,0,0]=4 711 B9R1.8 FCSc1cccnn1 62a_100015361967_100016991348 [0,0,0,0,0,1|2,0,1]=4 712 B9R1.8 FCSc1cccnn1 62a_100016991348_100015361967 [0,0,0,0,0,1|2,0,1]=4 713 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [0,0,0,0,0,1|3,0,0]=4 714 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [0,0,0,0,0,1|3,0,0]=4 715 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [0,0,0,0,0,1|2,0,1]=4 716 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [0,0,0,0,0,1|2,0,1]=4 717 B9R1.8 FCSc1ccnnc1 62a_100000732662_100015361967 [0,0,0,0,0,1|2,0,1]=4 718 B9R1.8 FCSc1ccnnc1 62a_100015361967_100000732662 [0,0,0,0,0,1|2,0,1]=4 719 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [0,0,0,0,0,1|3,0,0]=4 720 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [0,0,0,0,0,1|3,0,0]=4 721 B9R1.8 FCSc1cncnc1 62a_100011206942_100015361967 [0,0,0,0,0,1|3,0,0]=4 722 B9R1.8 FCSc1cncnc1 62a_100015361967_100011206942 [0,0,0,0,0,1|3,0,0]=4 723 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [0,0,0,0,0,1|2,0,1]=4 724 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [0,0,0,0,0,1|3,0,0]=4 725 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,0,0,0,0,1|3,0,0]=4 726 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,0,0,0,0,1|3,0,0]=4 727 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [0,0,0,0,0,1|2,0,1]=4 728 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [0,0,0,0,0,1|2,0,1]=4 729 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,0,0,0,0,1|3,0,0]=4 730 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,0,0,0,0,1|3,0,0]=4 731 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,0,0,0,0,1|3,0,0]=4 732 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,0,0,0,0,1|3,0,0]=4 733 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [0,0,0,0,0,1|3,0,0]=4 734 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [0,0,0,0,0,1|3,0,0]=4 735 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|1,0,1]=4 736 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,1,0,0,0|2,0,0]=4 737 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,1,0,0,0|2,0,0]=4 738 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,1,0,0,0|2,0,0]=4 739 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,1,0,0,0|2,0,0]=4 740 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,1,0,0,0|2,0,0]=4 741 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,1,0,0,0|2,0,0]=4 742 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,1,0,0,0|0,0,2]=4 743 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,0,1,0,0,0|1,0,1]=4 744 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|2,0,0]=4 745 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,1,0,0,0|2,0,0]=4 746 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,1,0,0,0|2,0,0]=4 747 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|2,0,0]=4 748 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|2,0,0]=4 749 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|2,0,0]=4 750 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|2,0,0]=4 751 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,1,0,0,0|2,0,0]=4 752 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,1,0,0,0|2,0,0]=4 753 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,1,0,0,0|2,0,0]=4 754 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,1,1,0,0,0|2,0,0]=4 755 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,1,0,0,0|1,0,1]=4 756 B8R1.1 C=Cc1cc(n[nH]1)Br 271570a_100011290941_100160470719 [1,1,0,0,0,0|0,0,2]=4 757 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,1,0,0,0,0|2,0,0]=4 759 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [1,1,0,0,0,0|2,0,0]=4 760 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [1,1,0,0,0,0|2,0,0]=4 761 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [1,1,0,0,0,0|1,0,1]=4 762 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [1,1,0,0,0,0|2,0,0]=4 763 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [1,1,0,0,0,0|1,0,0]=3 764 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [1,1,0,0,0,0|1,0,0]=3 765 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [1,1,0,0,0,0|2,0,0]=4 766 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [1,1,0,0,0,0|2,0,0]=4 767 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.1 Cn1cc(nn1)CN 274090a_200000210301_100000212058 [1,1,0,0,0,0|1,0,1]=4 770 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [1,1,0,0,0,0|1,0,0]=3 774 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [1,1,0,0,0,0|1,0,0]=3 775 B8R1.1 [13CH3]n1cc(nn1)CN 274090a_200025704644_100000212058 [1,1,0,0,0,0|1,0,1]=4 776 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [1,1,0,0,0,0|0,0,2]=4 777 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [1,1,0,0,0,0|1,0,1]=4 778 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [1,1,0,0,0,0|1,0,1]=4 779 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [1,1,0,0,0,0|1,0,1]=4 780 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [1,1,0,0,0,0|1,0,1]=4 781 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [1,1,0,0,0,0|1,0,1]=4 782 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [1,1,0,0,0,0|1,0,1]=4 783 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,1,0,0,0,0|1,0,0]=3 788 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,1,0,0,0,0|1,0,0]=3 789 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,1,0,0,0,0|1,0,0]=3 790 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,1,0,0,0,0|1,0,0]=3 793 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,1,0,0,0,0|1,0,0]=3 794 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,1,0,0,0,0|1,0,0]=3 795 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.1 CCCc1cnc(nc1)O 271570a_203496583355_100000039067 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [0,1,0,0,0,1|1,0,1]=4 803 B10R1.4 CCNc1ccn[nH]c1=O 27a_100015525214_100000087129 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.4 CCSc1ccn[nH]c1=O 62a_100000210202_100000087129 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.4 O=c1[nH]nccc1SCF 62a_100015361967_100000087129 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,1,0,0,0,1|1,0,1]=4 810 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,1,0,0,0,1|1,0,1]=4 812 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,1,0,0,0,1|1,0,1]=4 813 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,1,0,0,0,1|2,0,0]=4 815 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,1,0,0,0,1|2,0,0]=4 817 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,1,0,0,0,1|2,0,0]=4 818 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,1,0,0,0,1|1,0,1]=4 819 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,1,0,0,0,1|1,0,1]=4 823 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,1,0,0,0,1|1,0,1]=4 824 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,1,0,0,0,1|2,0,0]=4 826 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,1,0,0,0,1|1,0,1]=4 827 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,1,0,0,0,1|1,0,1]=4 828 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [0,1,0,0,0,1|1,0,1]=4 829 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [0,1,0,0,0,1|1,0,1]=4 830 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [0,1,0,0,0,1|2,0,0]=4 833 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,1,0,0,0,1|2,0,0]=4 837 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,1,0,0,0,1|1,0,1]=4 838 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,1,0,0,0,1|1,0,1]=4 839 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [0,1,0,0,0,1|1,0,1]=4 842 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,1,0,0,0,1|2,0,0]=4 843 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,1,0,0,0,1|2,0,0]=4 844 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,1,0,0,0,1|2,0,0]=4 848 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,1,0,0,0,1|1,0,1]=4 849 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,1,0,0,0,1|2,0,0]=4 852 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,1,0,0,0,1|1,0,1]=4 854 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,1,0,0,0,1|1,0,1]=4 855 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,1,0,0,0,1|2,0,0]=4 857 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,1,0,0,0,1|2,0,0]=4 858 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,1,0,0,0,1|2,0,0]=4 859 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,1,0,0,0,1|2,0,0]=4 862 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,1,0,0,0,1|1,0,1]=4 867 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,1,0,0,0,1|1,0,1]=4 868 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,1,0,0,0,1|1,0,0]=3 869 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,1,0,0,0,1|1,0,0]=3 870 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,1,0,0,0,1|1,0,0]=3 871 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,1,0,0,0,1|1,0,0]=3 872 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,1,0,0,0,1|1,0,0]=3 873 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,1,0,0,0,1|2,0,0]=4 874 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,1,0,0,0,1|2,0,0]=4 875 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,1,0,0,0,1|2,0,0]=4 876 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [0,1,0,0,0,1|2,0,0]=4 877 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,1,0,0,0,1|2,0,0]=4 878 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,1,0,0,0,1|2,0,0]=4 879 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,1,0,0,0,1|2,0,0]=4 881 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,1,0,0,0,1|2,0,0]=4 882 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,1,0,0,0,1|2,0,0]=4 883 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,1,0,0,0,1|2,0,0]=4 884 B10R1.17 FCCOc1ccnnc1 34a_100015204005_100011217306 [0,1,0,0,0,1|1,0,1]=4 885 B10R1.17 FCCOc1cncnc1 7a_100000754086_100011217306 [0,1,0,0,0,1|2,0,0]=4 886 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,1,0,0,0,1|2,0,0]=4 887 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,1,0,0,0,1|2,0,0]=4 888 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [0,1,0,0,0,1|1,0,1]=4 889 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [0,1,0,0,0,1|1,0,1]=4 890 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,1,0,0,0,1|2,0,0]=4 891 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,1,0,0,0,1|2,0,0]=4 892 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [0,1,0,0,0,1|1,0,1]=4 893 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [0,1,0,0,0,1|1,0,1]=4 894 B10R1.17 FCCSc1ccnnc1 62a_100000732662_100011217306 [0,1,0,0,0,1|1,0,1]=4 895 B10R1.17 FCCSc1ccnnc1 62a_100011217306_100000732662 [0,1,0,0,0,1|1,0,1]=4 896 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,1,0,0,0,1|2,0,0]=4 897 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,1,0,0,0,1|2,0,0]=4 898 B10R1.17 FCCSc1cncnc1 62a_100011206942_100011217306 [0,1,0,0,0,1|2,0,0]=4 899 B10R1.17 FCCSc1cncnc1 62a_100011217306_100011206942 [0,1,0,0,0,1|2,0,0]=4 900 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,1,0,0,0,1|2,0,0]=4 901 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,1,0,0,0,1|2,0,0]=4 902 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,1,0,0,0,1|1,0,1]=4 903 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,1,0,0,0,1|1,0,1]=4 904 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,1,0,0,0,1|2,0,0]=4 905 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,1,0,0,0,1|2,0,0]=4 906 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,1,0,0,0,1|2,0,0]=4 907 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,1,0,0,0,1|2,0,0]=4 908 B10R1.17 FCSCc1cncnc1 62a_100015196519_100015361967 [0,1,0,0,0,1|2,0,0]=4 909 B10R1.17 FCSCc1cncnc1 62a_100015361967_100015196519 [0,1,0,0,0,1|2,0,0]=4 910 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [0,1,0,0,0,1|1,0,1]=4 911 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [0,1,0,0,0,1|1,0,1]=4 912 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,1,0,0,0,1|2,0,0]=4 913 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,1,0,0,0,1|2,0,0]=4 914 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,1,0,0,0,1|2,0,0]=4 915 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,1,0,0,0,1|2,0,0]=4 916 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [0,1,0,0,0,1|1,0,1]=4 917 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [0,1,0,0,0,1|2,0,0]=4 918 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,1,0,0,0,1|2,0,0]=4 919 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,1,0,0,0,1|2,0,0]=4 920 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [0,1,0,0,0,1|1,0,1]=4 921 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [0,1,0,0,0,1|1,0,1]=4 922 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,1,0,0,0,1|2,0,0]=4 923 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,1,0,0,0,1|2,0,0]=4 924 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [0,1,0,0,0,1|1,0,1]=4 925 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [0,1,0,0,0,1|1,0,1]=4 926 B10R1.17 OCCSc1ccnnc1 62a_100000211926_100000732662 [0,1,0,0,0,1|1,0,1]=4 927 B10R1.17 OCCSc1ccnnc1 62a_100000732662_100000211926 [0,1,0,0,0,1|1,0,1]=4 928 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,1,0,0,0,1|2,0,0]=4 929 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,1,0,0,0,1|2,0,0]=4 930 B10R1.17 OCCSc1cncnc1 62a_100000211926_100011206942 [0,1,0,0,0,1|2,0,0]=4 931 B10R1.17 OCCSc1cncnc1 62a_100011206942_100000211926 [0,1,0,0,0,1|2,0,0]=4 932 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,1,0,0,0,1|2,0,0]=4 933 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,1,0,0,0,1|2,0,0]=4 934 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,1,0,0,0,1|1,0,0]=3 935 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,1,0,0,0,1|2,0,0]=4 936 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,1,0,0,0,1|2,0,0]=4 937 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,1,0,0,0,1|2,0,0]=4 938 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [0,1,0,0,0,1|2,0,0]=4 939 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,1,0,0,0,1|2,0,0]=4 940 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,1,0,0,0,1|2,0,0]=4 941 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,1,0,0,0,1|2,0,0]=4 942 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,1,0,0,0,1|2,0,0]=4 943 B10R1.14 CNC(C)c1cc(n[nH]1)C 269862a_106832991636_100000104970 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.16 C#CCSc1cc(n[nH]1)Br 62a_100000038162_100160470719 [0,2,0,0,0,0|1,0,1]=4 945 B10R1.16 C=CCSc1cc(n[nH]1)Br 62a_100000210623_100160470719 [0,2,0,0,0,0|1,0,1]=4 946 B10R1.16 C=CCSc1cc(n[nH]1)Br 62a_100160470719_100000210623 [0,2,0,0,0,0|1,0,1]=4 947 B10R1.16 CCCCc1cc(n[nH]1)Br 271570a_100020621405_100160470719 [0,2,0,0,0,0|1,0,0]=3 948 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.16 CCCSc1cc(n[nH]1)Br 62a_100000210303_100160470719 [0,2,0,0,0,0|1,0,0]=3 950 B10R1.16 CCCSc1cc(n[nH]1)Br 62a_100160470719_100000210303 [0,2,0,0,0,0|1,0,0]=3 951 B10R1.16 CCCSc1cc(ns1)C 62a_100000210303_100009815735 [0,2,0,0,0,0|2,0,0]=4 952 B10R1.16 CCCSc1cc(ns1)C 62a_100009815735_100000210303 [0,2,0,0,0,0|2,0,0]=4 953 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [0,2,0,0,0,0|2,0,0]=4 954 B10R1.16 CCNCc1cc(n[nH]1)C 207a_100015525214_100000028150 [0,2,0,0,0,0|1,0,0]=3 955 B10R1.16 CCNCc1cc(n[nH]1)C 270004a_100015525214_100000028150 [0,2,0,0,0,0|1,0,0]=3 956 B10R1.16 CCNCc1cc(no1)Br 2230a_100015193020_100000210202 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.16 CCNCc1cc(no1)Br 270004a_100015525214_100009819588 [0,2,0,0,0,0|2,0,0]=4 958 B10R1.16 CCNCc1cc(no1)Br 34a_100015193020_100000210202 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [0,2,0,0,0,0|2,0,0]=4 962 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [0,2,0,0,0,0|2,0,0]=4 963 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [0,2,0,0,0,0|2,0,0]=4 964 B10R1.16 CCOCc1cc(no1)Br 34a_100009816691_100000210202 [0,2,0,0,0,0|2,0,0]=4 965 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [0,2,0,0,0,0|2,0,0]=4 966 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.16 CCSCc1cc(no1)Br 62a_100000210202_100000709089 [0,2,0,0,0,0|2,0,0]=4 968 B10R1.16 CCSCc1cc(no1)Br 62a_100000709089_100000210202 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [0,2,0,0,0,0|2,0,0]=4 970 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [0,2,0,0,0,0|2,0,0]=4 971 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,2,0,0,0,0|2,0,0]=4 972 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,2,0,0,0,0|2,0,0]=4 974 B10R1.16 CNCCc1nc(no1)C 34a_100000747544_200000210301 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.16 CNCCc1nnc(s1)C 2230a_100000733084_200000210301 [0,2,0,0,0,0|1,0,1]=4 976 B10R1.16 COCCc1cc(no1)Br 34a_100009816916_200000210301 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.16 COCSc1cc(n[nH]1)Br 62a_100000766300_100160470719 [0,2,0,0,0,0|2,0,0]=4 978 B10R1.16 COCSc1cc(n[nH]1)Br 62a_100160470719_100000766300 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.16 CSCSc1cc(n[nH]1)Br 62a_100011218213_100160470719 [0,2,0,0,0,0|2,0,0]=4 980 B10R1.16 CSCSc1cc(n[nH]1)Br 62a_100160470719_100011218213 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.16 Cc1cc(on1)CNCF 34a_100000745748_100015361967 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.16 Cc1cc(on1)COCF 34a_100000684692_100015361967 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.16 Cc1cc(on1)CSCF 62a_100000707947_100015361967 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.16 Cc1cc(on1)CSCF 62a_100015361967_100000707947 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.16 Cc1cc(sn1)SCCF 62a_100009815735_100011217306 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.16 Cc1cc(sn1)SCCF 62a_100011217306_100009815735 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.16 Cc1cc(sn1)SCCO 62a_100000211926_100009815735 [0,2,0,0,0,0|2,0,0]=4 988 B10R1.16 Cc1cc(sn1)SCCO 62a_100009815735_100000211926 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.16 Cc1nnc(s1)CCN[13CH3] 2230a_100000733084_200025704644 [0,2,0,0,0,0|1,0,1]=4 992 B10R1.16 Cc1noc(n1)CCN[13CH3] 34a_100000747544_200025704644 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.16 Cn1cc(nn1)CCCN 274090a_200000210301_100000718082 [0,2,0,0,0,0|1,0,1]=4 994 B10R1.16 FCCSc1cc(n[nH]1)Br 62a_100011217306_100160470719 [0,2,0,0,0,0|1,0,0]=3 995 B10R1.16 FCCSc1cc(n[nH]1)Br 62a_100160470719_100011217306 [0,2,0,0,0,0|1,0,0]=3 996 B10R1.16 FCNCc1cc(no1)Br 34a_100015193020_100015361967 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.16 FCOCc1cc(no1)Br 34a_100009816691_100015361967 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.16 FCSCc1cc(no1)Br 62a_100000709089_100015361967 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.16 FCSCc1cc(no1)Br 62a_100015361967_100000709089 [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.16 N#CCSc1cc(n[nH]1)Br 62a_100011215382_100160470719 [0,2,0,0,0,0|0,0,2]=4 1001 B10R1.16 N#CCSc1cc(n[nH]1)Br 62a_100160470719_100011215382 [0,2,0,0,0,0|0,0,2]=4 1002 B10R1.16 O=CCSc1cc(n[nH]1)Br 62a_100160470719_200015260668 [0,2,0,0,0,0|1,0,1]=4 1003 B10R1.16 O=CCSc1cc(n[nH]1)Br 62a_200015260668_100160470719 [0,2,0,0,0,0|1,0,1]=4 1004 B10R1.16 OCCSc1cc(n[nH]1)Br 62a_100000211926_100160470719 [0,2,0,0,0,0|1,0,0]=3 1005 B10R1.16 OCCSc1cc(n[nH]1)Br 62a_100160470719_100000211926 [0,2,0,0,0,0|1,0,0]=3 1006 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.16 [13CH3]OCCc1cc(no1)Br 34a_100009816916_200025704644 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.16 [13CH3]n1cc(nn1)CCCN 274090a_200025704644_100000718082 [0,2,0,0,0,0|1,0,1]=4 1009 B10R1.54 CC(C)Sc1cc(n[nH]1)Br 62a_100000210206_100160470719 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.54 CC(C)Sc1cc(n[nH]1)Br 62a_100160470719_100000210206 [0,2,0,0,0,0|2,0,0]=4 1011 B10R1.54 Cc1cc([nH]n1)CN(C)C 270004a_100102631434_100000028150 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.94 CNCc1[nH]nc(c1Br)C 207a_100102657272_100009820796 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.94 CNCc1[nH]nc(c1Cl)C 207a_100102657272_100000119063 [0,2,0,0,0,0|2,0,0]=4 1014 B10R1.94 CNCc1[nH]nc(c1Cl)C 270004a_106832991635_100000119063 [0,2,0,0,0,0|2,0,0]=4 1015 B10R1.96 CCc1cc([nH]n1)CNC 207a_100102657272_200000099889 [0,2,0,0,0,0|2,0,0]=4 1016 B10R1.96 CCc1cc([nH]n1)CNC 270004a_106832991635_200000099889 [0,2,0,0,0,0|2,0,0]=4 1017 B10R1.96 CCn1cc(nn1)CCN 274090a_100000204670_100000755551 [0,2,0,0,0,0|1,0,1]=4 1018 B10R1.96 CSc1cc(on1)CCO 62a_100009816916_200000210301 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.96 CSc1cc(on1)CCO 62a_200000210301_100009816916 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.96 CSc1ccc(s1)CCN 62a_100000217605_200000210301 [0,2,0,0,0,0|2,0,0]=4 1021 B10R1.96 CSc1ccc(s1)CCN 62a_200000210301_100000217605 [0,2,0,0,0,0|2,0,0]=4 1022 B10R1.96 NCCc1cn(nn1)CF 274090a_100015361967_100000755551 [0,2,0,0,0,0|1,0,1]=4 1023 B10R1.96 [13CH3]Sc1cc(on1)CCO 62a_100009816916_200025704644 [0,2,0,0,0,0|2,0,0]=4 1024 B10R1.96 [13CH3]Sc1cc(on1)CCO 62a_200025704644_100009816916 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_100000217605_200025704644 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_200025704644_100000217605 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.130 CCOc1cc(nn1C)C 34a_100000738638_100000210202 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.130 CCSc1cc(nn1C)C 62a_100000210202_100009818511 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.130 CCSc1cc(nn1C)C 62a_100009818511_100000210202 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.130 CCSc1cc(nn1C)N 62a_100000210202_100116209741 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.130 CCSc1cc(nn1C)N 62a_100116209741_100000210202 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.130 CNCc1cc(nn1C)C 207a_100102657272_100011218982 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.130 CNCc1cc(nn1C)C 2230a_106832991635_100025716357 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.130 CNCc1cc(nn1C)C 270004a_106832991635_100011218982 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.130 CNCc1cc(nn1C)C 34a_100000238769_200000210301 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.130 CNCc1cc(nn1C)C 34a_100102657272_100025716357 [0,2,0,0,0,0|2,0,0]=4 1037 B10R1.130 CNCc1cc(nn1C)C 7a_106832991635_100025716357 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.130 COCc1cc(nn1C)C 34a_100000243219_200000210301 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.130 COCc1cc(nn1C)C 34a_100138415774_100025716357 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.130 CSCc1cc(nn1C)C 62a_100025716357_200000210301 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.130 CSCc1cc(nn1C)C 62a_200000210301_100025716357 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.130 Cc1cc(n(n1)C)CN[13CH3] 34a_100000238769_200025704644 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.130 Cc1cc(n(n1)C)CO[13CH3] 34a_100000243219_200025704644 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.130 Cc1cc(n(n1)C)CS[13CH3] 62a_100025716357_200025704644 [0,2,0,0,0,0|2,0,0]=4 1045 B10R1.130 Cc1cc(n(n1)C)CS[13CH3] 62a_200025704644_100025716357 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.130 Cc1cc(n(n1)C)OCF 34a_100000738638_100015361967 [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.130 Cc1cc(n(n1)C)SCF 62a_100009818511_100015361967 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.130 Cc1cc(n(n1)C)SCF 62a_100015361967_100009818511 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.130 Cn1nc(cc1SCF)N 62a_100015361967_100116209741 [0,2,0,0,0,0|2,0,0]=4 1050 B10R1.130 Cn1nc(cc1SCF)N 62a_100116209741_100015361967 [0,2,0,0,0,0|2,0,0]=4 1051 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1053 B10R1.9 COC(CN)c1ccsc1 34a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1054 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.9 [13CH3]OC(CN)c1ccsc1 34a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.11 CCNC(C)c1ccn[nH]1 269862a_100015525214_100000747476 [0,2,0,0,0,0|1,0,0]=3 1058 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,2,0,0,0,0|1,0,1]=4 1059 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.149 CNC(C)c1ccnn1C 269862a_106832991636_100000684975 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.21 BrCCOCc1ccn[nH]1 34a_100000211926_100000728653 [0,2,0,0,0,0|1,0,0]=3 1067 B10R1.21 C#CCNCc1ccn[nH]1 34a_100000212058_100000728653 [0,2,0,0,0,0|1,0,0]=3 1068 B10R1.21 C#CCOCc1ccn[nH]1 34a_100000210247_100000728653 [0,2,0,0,0,0|1,0,0]=3 1069 B10R1.21 C#CCOCc1ccno1 34a_100000740478_100000184674 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.21 C#CCSCc1ccn[nH]1 62a_100000038162_100000728653 [0,2,0,0,0,0|1,0,0]=3 1071 B10R1.21 C=CCNCc1ccn[nH]1 2230a_100020586998_100000728653 [0,2,0,0,0,0|1,0,0]=3 1072 B10R1.21 C=CCOCc1ccn[nH]1 34a_200000210373_100000728653 [0,2,0,0,0,0|1,0,0]=3 1073 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000210623_100000728653 [0,2,0,0,0,0|1,0,0]=3 1075 B10R1.21 C=CCSCc1ccn[nH]1 62a_100000728653_100000210623 [0,2,0,0,0,0|1,0,0]=3 1076 B10R1.21 CCCOCc1ccn[nH]1 34a_100000210258_100000728653 [0,2,0,0,0,0|1,0,0]=3 1077 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,2,0,0,0,0|1,0,0]=3 1079 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,2,0,0,0,0|1,0,0]=3 1080 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.21 CCNCCc1cn[nH]c1 2230a_100000732747_100000210202 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.21 CCNCCc1cn[nH]c1 2230a_100015525214_100000743252 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.21 CNCCCn1ccnc1 2230a_106832991635_100000756272 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.21 CNCCCn1ccnc1 34a_100102657272_100000756272 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.21 CNCCCn1ccnc1 7a_106832991635_100000756272 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.21 COCSCc1ccn[nH]1 62a_100000728653_100000766300 [0,2,0,0,0,0|1,0,0]=3 1097 B10R1.21 COCSCc1ccn[nH]1 62a_100000766300_100000728653 [0,2,0,0,0,0|1,0,0]=3 1098 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.21 CSCSCc1ccn[nH]1 62a_100000728653_100011218213 [0,2,0,0,0,0|1,0,0]=3 1100 B10R1.21 CSCSCc1ccn[nH]1 62a_100011218213_100000728653 [0,2,0,0,0,0|1,0,0]=3 1101 B10R1.21 FCCNCc1ccn[nH]1 34a_100000724931_100000728653 [0,2,0,0,0,0|1,0,0]=3 1102 B10R1.21 FCCOCc1ccno1 34a_100000740478_100011217306 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.21 FCCSCc1ccn[nH]1 62a_100000728653_100011217306 [0,2,0,0,0,0|1,0,0]=3 1104 B10R1.21 FCCSCc1ccn[nH]1 62a_100011217306_100000728653 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.21 N#CCSCc1ccn[nH]1 62a_100000728653_100011215382 [0,2,0,0,0,0|0,0,1]=3 1109 B10R1.21 N#CCSCc1ccn[nH]1 62a_100011215382_100000728653 [0,2,0,0,0,0|0,0,1]=3 1110 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [0,2,0,0,0,0|0,0,0]=2 1111 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [0,2,0,0,0,0|1,0,1]=4 1112 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [0,2,0,0,0,0|2,0,0]=4 1114 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,2,0,0,0,0|2,0,0]=4 1115 B10R1.21 NCCOCc1nnn[nH]1 34a_100000210304_100000765167 [0,2,0,0,0,0|2,0,0]=4 1116 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [0,2,0,0,0,0|2,0,0]=4 1117 B10R1.21 O=CCSCc1ccn[nH]1 62a_100000728653_200015260668 [0,2,0,0,0,0|1,0,0]=3 1118 B10R1.21 O=CCSCc1ccn[nH]1 62a_200015260668_100000728653 [0,2,0,0,0,0|1,0,0]=3 1119 B10R1.21 OCCNCc1ccn[nH]1 2230a_100016997473_100000728653 [0,2,0,0,0,0|1,0,0]=3 1120 B10R1.21 OCCNCc1ccn[nH]1 34a_100016990907_100000728653 [0,2,0,0,0,0|1,0,0]=3 1121 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.21 OCCSCc1ccn[nH]1 62a_100000211926_100000728653 [0,2,0,0,0,0|1,0,0]=3 1123 B10R1.21 OCCSCc1ccn[nH]1 62a_100000728653_100000211926 [0,2,0,0,0,0|1,0,0]=3 1124 B10R1.27 C#CC(=O)Cc1ccn[nH]1 1458a_100000211873_100000728653 [0,2,0,0,0,0|1,0,1]=4 1125 B10R1.27 C=CC(=O)Cc1ccn[nH]1 1458a_100000185746_100000728653 [0,2,0,0,0,0|1,0,1]=4 1126 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,2,0,0,0,0|2,0,0]=4 1129 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,2,0,0,0,0|1,0,0]=3 1131 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,2,0,0,0,0|1,0,0]=3 1132 B10R1.27 CCN(C)Cc1ccn[nH]1 2230a_100000225621_100000728653 [0,2,0,0,0,0|1,0,0]=3 1133 B10R1.27 CCN(C)Cc1ccn[nH]1 269982a_100000225621_100000728653 [0,2,0,0,0,0|1,0,0]=3 1134 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,2,0,0,0,0|1,0,1]=4 1135 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,2,0,0,0,0|1,0,1]=4 1136 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,2,0,0,0,0|1,0,1]=4 1137 B10R1.27 CNC(=O)Cc1ccn[nH]1 11a_106832991635_100000752941 [0,2,0,0,0,0|0,0,1]=3 1138 B10R1.27 CNC(=O)Cc1ccn[nH]1 1626a_100102657272_100000752941 [0,2,0,0,0,0|0,0,1]=3 1139 B10R1.27 CNC(=O)Cc1ccn[nH]1 240690a_100102657272_100000752941 [0,2,0,0,0,0|0,0,1]=3 1140 B10R1.27 CNC(=O)Cc1ccn[nH]1 527a_100102657272_100000752941 [0,2,0,0,0,0|0,0,1]=3 1141 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,2,0,0,0,0|2,0,0]=4 1146 B10R1.27 O=C(CF)Cc1ccn[nH]1 1458a_100000752941_100015361967 [0,2,0,0,0,0|1,0,0]=3 1147 B10R1.27 O=C(CO)Cc1ccn[nH]1 1458a_100000210174_100000728653 [0,2,0,0,0,0|1,0,0]=3 1148 B10R1.29 C#CCOc1ccnn1C 34a_100020632926_100000184674 [0,2,0,0,0,0|1,0,1]=4 1149 B10R1.29 C#CCSc1ccnn1C 62a_100000038162_100000688441 [0,2,0,0,0,0|1,0,1]=4 1150 B10R1.29 C=CCOc1ccnn1C 34a_100020632926_100015514636 [0,2,0,0,0,0|1,0,1]=4 1151 B10R1.29 C=CCSc1ccnn1C 62a_100000210623_100000688441 [0,2,0,0,0,0|1,0,1]=4 1152 B10R1.29 C=CCSc1ccnn1C 62a_100000688441_100000210623 [0,2,0,0,0,0|1,0,1]=4 1153 B10R1.29 CCCCc1ccnn1C 271570a_100020621405_100000688441 [0,2,0,0,0,0|1,0,0]=3 1154 B10R1.29 CCCCc1ncnn1C 271570a_100020621405_100000732653 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.29 CCCOc1ccnn1C 34a_100020632926_100000210303 [0,2,0,0,0,0|1,0,0]=3 1156 B10R1.29 CCCSc1ccnn1C 62a_100000210303_100000688441 [0,2,0,0,0,0|1,0,0]=3 1157 B10R1.29 CCCSc1ccnn1C 62a_100000688441_100000210303 [0,2,0,0,0,0|1,0,0]=3 1158 B10R1.29 CCCSc1ncnn1C 62a_100000210303_100000732653 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.29 CCCSc1ncnn1C 62a_100000732653_100000210303 [0,2,0,0,0,0|2,0,0]=4 1160 B10R1.29 CCNCc1[nH]ncc1Br 207a_100015525214_100000732679 [0,2,0,0,0,0|1,0,0]=3 1161 B10R1.29 CCNCc1[nH]ncc1Br 270004a_100015525214_100000732679 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.29 CCNCc1[nH]ncc1C 207a_100015525214_100000708485 [0,2,0,0,0,0|1,0,0]=3 1163 B10R1.29 CCNCc1[nH]ncc1C 270004a_100015525214_100000708485 [0,2,0,0,0,0|1,0,0]=3 1164 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.29 CCNCc1ccnn1C 207a_100015525214_100000737161 [0,2,0,0,0,0|1,0,0]=3 1167 B10R1.29 CCNCc1ccnn1C 2230a_100015525214_100000691648 [0,2,0,0,0,0|1,0,0]=3 1168 B10R1.29 CCNCc1ccnn1C 270004a_100015525214_100000737161 [0,2,0,0,0,0|1,0,0]=3 1169 B10R1.29 CCNCc1ccnn1C 34a_100025706696_100000210202 [0,2,0,0,0,0|1,0,0]=3 1170 B10R1.29 CCOCc1ccnn1C 34a_100000684702_100000210202 [0,2,0,0,0,0|1,0,0]=3 1171 B10R1.29 CCOCc1ccnn1C 34a_100121572206_100000691648 [0,2,0,0,0,0|1,0,0]=3 1172 B10R1.29 CCOCc1ncnn1C 7a_100000688323_100000210202 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.29 CCSCc1ccnn1C 62a_100000210202_100000691648 [0,2,0,0,0,0|1,0,0]=3 1175 B10R1.29 CCSCc1ccnn1C 62a_100000691648_100000210202 [0,2,0,0,0,0|1,0,0]=3 1176 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,2,0,0,0,0|1,0,0]=3 1177 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.29 CNCCn1ccnc1C 2230a_106832991635_100000742477 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.29 CNCCn1ccnc1C 34a_100015184736_200000210301 [0,2,0,0,0,0|2,0,0]=4 1185 B10R1.29 CNCCn1ccnc1C 7a_106832991635_100000742477 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.29 COCSc1ccnn1C 62a_100000688441_100000766300 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.29 COCSc1ccnn1C 62a_100000766300_100000688441 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.29 CSCOc1ccnn1C 34a_100020632926_100011218213 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.29 CSCSc1ccnn1C 62a_100000688441_100011218213 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.29 CSCSc1ccnn1C 62a_100011218213_100000688441 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.29 Cc1cnoc1COCF 34a_200011065769_100015361967 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.29 Cc1nccn1CCN[13CH3] 34a_100015184736_200025704644 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,2,0,0,0,0|1,0,0]=3 1196 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,2,0,0,0,0|1,0,0]=3 1197 B10R1.29 Cn1cccc1CNCF 34a_100011219357_100015361967 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.29 Cn1nccc1CNCF 34a_100025706696_100015361967 [0,2,0,0,0,0|1,0,0]=3 1199 B10R1.29 Cn1nccc1COCF 34a_100000684702_100015361967 [0,2,0,0,0,0|1,0,0]=3 1200 B10R1.29 Cn1nccc1CSCF 62a_100000691648_100015361967 [0,2,0,0,0,0|1,0,0]=3 1201 B10R1.29 Cn1nccc1CSCF 62a_100015361967_100000691648 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.29 Cn1nccc1OCC=O 34a_100020632926_200009817547 [0,2,0,0,0,0|1,0,1]=4 1203 B10R1.29 Cn1nccc1OCCF 34a_100020632926_100011217306 [0,2,0,0,0,0|1,0,0]=3 1204 B10R1.29 Cn1nccc1OCCO 34a_100020632926_100000211926 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.29 Cn1nccc1SCC#N 62a_100000688441_100011215382 [0,2,0,0,0,0|0,0,2]=4 1206 B10R1.29 Cn1nccc1SCC#N 62a_100011215382_100000688441 [0,2,0,0,0,0|0,0,2]=4 1207 B10R1.29 Cn1nccc1SCC=O 62a_100000688441_200015260668 [0,2,0,0,0,0|1,0,1]=4 1208 B10R1.29 Cn1nccc1SCC=O 62a_200015260668_100000688441 [0,2,0,0,0,0|1,0,1]=4 1209 B10R1.29 Cn1nccc1SCCF 62a_100000688441_100011217306 [0,2,0,0,0,0|1,0,0]=3 1210 B10R1.29 Cn1nccc1SCCF 62a_100011217306_100000688441 [0,2,0,0,0,0|1,0,0]=3 1211 B10R1.29 Cn1nccc1SCCO 62a_100000211926_100000688441 [0,2,0,0,0,0|1,0,0]=3 1212 B10R1.29 Cn1nccc1SCCO 62a_100000688441_100000211926 [0,2,0,0,0,0|1,0,0]=3 1213 B10R1.29 Cn1ncnc1COCF 7a_100000688323_100015361967 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.29 Cn1ncnc1NCCO 27a_100000210304_100000732653 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.29 Cn1ncnc1SCCF 62a_100000732653_100011217306 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.29 Cn1ncnc1SCCF 62a_100011217306_100000732653 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.29 Cn1ncnc1SCCO 62a_100000211926_100000732653 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.29 Cn1ncnc1SCCO 62a_100000732653_100000211926 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.66 CC(C)NCc1ccn[nH]1 2230a_100138425928_100000728653 [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.66 CC(C)NCc1ccn[nH]1 34a_100138425928_100000728653 [0,2,0,0,0,0|1,0,0]=3 1222 B10R1.66 CC(C)OCc1ccn[nH]1 34a_100000212225_100000728653 [0,2,0,0,0,0|1,0,0]=3 1223 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000210206_100000728653 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000728653_100000210206 [0,2,0,0,0,0|1,0,0]=3 1226 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,2,0,0,0,0|2,0,0]=4 1227 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,2,0,0,0,0|2,0,0]=4 1228 B10R1.66 CN(C)CCc1cn[nH]c1 2230a_100102631434_100000743252 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.66 CN(C)CCc1cn[nH]c1 269982a_100102631434_100000743252 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.66 CN(C)CCc1nnn[nH]1 269982a_100102631434_100000031946 [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.66 CN(C)CCn1ccnc1 269982a_100102631434_100000702546 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,2,0,0,0,0|1,0,1]=4 1234 B10R1.64 CC(C)Oc1ccnn1C 34a_100020632926_100000210206 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.64 CC(C)Sc1ccnn1C 62a_100000210206_100000688441 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.64 CC(C)Sc1ccnn1C 62a_100000688441_100000210206 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.64 CN(C)Cc1[nH]ncc1Br 270004a_100102631434_100000732679 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.64 CN(C)Cc1ccnn1C 2230a_100000723423_200000210301 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.64 CN(C)Cc1ccnn1C 2230a_100102631434_100000691648 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.64 CN(C)Cc1ccnn1C 269982a_100000723423_200000210301 [0,2,0,0,0,0|2,0,0]=4 1241 B10R1.64 CN(C)Cc1ccnn1C 269982a_100102631434_100000691648 [0,2,0,0,0,0|2,0,0]=4 1242 B10R1.64 CN(C)Cc1ccnn1C 270004a_100102631434_100000737161 [0,2,0,0,0,0|2,0,0]=4 1243 B10R1.64 CN([13CH3])Cc1ccnn1C 2230a_100000723423_200025704644 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.64 CN([13CH3])Cc1ccnn1C 269982a_100000723423_200025704644 [0,2,0,0,0,0|2,0,0]=4 1245 B10R1.64 Cc1cn[nH]c1CN(C)C 270004a_100102631434_100000708485 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.5 CCOc1ccnn1CC 34a_100012181048_100000210202 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.5 CCSc1[nH]ncc1C#N 62a_100000210202_100010888374 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.5 CCSc1ccnn1CC 62a_100000210202_100000728327 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.5 CCSc1ccnn1CC 62a_100000728327_100000210202 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.5 CCn1nccc1CNC 207a_100102657272_100000763647 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.5 CCn1nccc1CNC 2230a_106832991635_100025719316 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.5 CCn1nccc1CNC 270004a_106832991635_100000763647 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.5 CCn1nccc1CNC 34a_100102657272_100025719316 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.5 CCn1nccc1CNC 7a_106832991635_100025719316 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.5 CCn1nccc1COC 34a_100011962870_200000210301 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.5 CCn1nccc1COC 34a_100138415774_100025719316 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.5 CCn1nccc1CO[13CH3] 34a_100011962870_200025704644 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.5 CCn1nccc1CSC 62a_100025719316_200000210301 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.5 CCn1nccc1CSC 62a_200000210301_100025719316 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.5 CCn1nccc1CS[13CH3] 62a_100025719316_200025704644 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.5 CCn1nccc1CS[13CH3] 62a_200025704644_100025719316 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.5 CCn1nccc1OCF 34a_100012181048_100015361967 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.5 CCn1nccc1SCF 62a_100000728327_100015361967 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.5 CCn1nccc1SCF 62a_100015361967_100000728327 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.5 N#Cc1cn[nH]c1SCF 62a_100015361967_100010888374 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.187 CNCc1c(cnn1C)Br 207a_100102657272_100000763672 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.187 CNCc1c(cnn1C)Br 270004a_106832991635_100000763672 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.187 CNCc1c(cnn1C)C 207a_100102657272_100000708471 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.187 CNCc1c(cnn1C)C 270004a_106832991635_100000708471 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.187 CNCc1c(cnn1C)I 207a_100102657272_100010381483 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.187 CNCc1c(cnn1C)I 270004a_106832991635_100010381483 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.187 COCc1c(cnn1C)Br 34a_100012039568_200000210301 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.187 Cn1ncc(c1CO[13CH3])Br 34a_100012039568_200025704644 [0,2,0,0,0,0|2,0,0]=4 1274 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [0,0,0,1,0,1|2,0,0]=4 1275 B10R2.6 c1cc(cnn1)C2CC2 271570a_100011220607_100000732662 [0,0,0,1,0,1|1,0,1]=4 1276 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [0,0,0,1,0,1|1,0,1]=4 1277 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,1,0,1|2,0,0]=4 1278 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [0,0,0,1,0,1|2,0,0]=4 1279 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [0,0,0,1,0,1|1,0,1]=4 1280 B10R2.6 c1ncc(cn1)C2CC2 271570a_100011220607_100011206942 [0,0,0,1,0,1|2,0,0]=4 1281 B10R2.2 CN1Cc2cn[nH]c2C1 2230a_100000734414_200000210301 [0,1,0,1,0,0|2,0,0]=4 1282 B10R2.2 CN1Cc2cn[nH]c2C1 269982a_100000734414_200000210301 [0,1,0,1,0,0|2,0,0]=4 1283 B10R2.2 [13CH3]N1Cc2cn[nH]c2C1 2230a_100000734414_200025704644 [0,1,0,1,0,0|2,0,0]=4 1284 B10R2.2 [13CH3]N1Cc2cn[nH]c2C1 269982a_100000734414_200025704644 [0,1,0,1,0,0|2,0,0]=4 1285 B10R2.14 Brc1cc([nH]n1)C2CC2 271570a_100011220607_100160470719 [0,1,0,1,0,0|1,0,0]=3 1286 B10R2.14 Cc1cc(sn1)C2CC2 271570a_100011220607_100009815735 [0,1,0,1,0,0|2,0,0]=4 1287 B10R2.14 Oc1cc([nH]n1)C2CC2 271570a_203496583355_100010175553 [0,1,0,1,0,0|1,0,0]=3 1288 B10R2.32 Oc1cnn2c1OCC2 271570a_203496583355_100015358831 [0,1,0,1,0,0|2,0,0]=4 1289 B10R2.32 Oc1n[nH]c2c1CCC2 271570a_203496583355_100010892149 [0,1,0,1,0,0|1,0,0]=3 1290 B10R2.21 Cn1nccc1C2CC2 271570a_100011220607_100000688441 [0,1,0,1,0,0|1,0,0]=3 1291 B10R2.21 Cn1ncnc1C2CC2 271570a_100011220607_100000732653 [0,1,0,1,0,0|2,0,0]=4