0 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,0,0,0,0,0|2,1,0]=3 2 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,0,0,0|2,1,0]=3 3 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,0,0,0|0,2,0]=2 4 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,0,0,0|0,1,0]=1 5 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,0,0,0|2,1,0]=3 6 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,0,0,0|2,1,0]=3 7 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,0,0,0|2,1,0]=3 8 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [0,0,0,0,0,0|3,1,0]=4 9 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,0,0,0,0,0|1,2,0]=3 10 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,0,0,0,0,0|1,1,0]=2 11 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,0,0,0,0,0|3,1,0]=4 12 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,0,0,0,0,0|3,1,0]=4 13 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,0,0,0,0,0|2,1,0]=3 14 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [0,0,0,0,0,0|3,1,0]=4 15 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [0,0,0,0,0,0|2,1,0]=3 16 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [0,0,0,0,0,0|1,2,0]=3 17 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,0,0,0,0,0|1,1,0]=2 18 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,0,0,0,0,0|2,1,0]=3 19 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,0,0,0,0,0|2,1,0]=3 20 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [0,1,0,0,0,0|1,1,0]=3 24 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,1,0,0,0,0|2,1,0]=4 29 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,1,0,0,0,0|2,1,0]=4 33 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,0,0,0|2,1,0]=4 39 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,0,0,0|2,1,0]=4 40 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,0,0,0|0,1,0]=2 47 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,0,0,0|0,1,0]=2 48 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,1,0,0,0,0|0,0,0]=1 49 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,1,0,0,0,0|0,0,0]=1 50 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,1,0,0,0,0|1,1,0]=3 61 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,1,0,0,0,0|1,1,0]=3 62 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,1,0,0,0,0|1,0,0]=2 63 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,1,0,0,0,0|1,0,0]=2 64 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,1,0,0,0,0|1,1,0]=3 75 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,1,0,0,0,0|1,1,0]=3 76 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,1,0,0,0,0|1,0,0]=2 78 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,0,0,0|2,1,0]=4 83 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,0,0,0|2,1,0]=4 84 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,0,0,0|0,1,0]=2 91 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,0,0,0|0,1,0]=2 92 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,1,0,0,0,0|0,0,0]=1 93 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,1,0,0,0,0|0,0,0]=1 94 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,1,0,0,0,0|1,1,0]=3 105 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,1,0,0,0,0|1,1,0]=3 106 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,1,0,0,0,0|1,0,0]=2 107 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,1,0,0,0,0|1,0,0]=2 108 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,1,0,0,0,0|3,0,0]=4 111 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,1,0,0,0,0|1,1,0]=3 119 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,1,0,0,0,0|1,1,0]=3 120 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,1,0,0,0,0|1,0,0]=2 122 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,0,0,0|2,1,0]=4 127 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,0,0,0|1,0,0]=2 128 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,0,0,0|2,1,0]=4 129 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,0,0,0|1,1,0]=3 130 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,0,0,0|0,1,0]=2 131 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,0,0,0|1,1,0]=3 132 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,0,0,0|0,1,0]=2 133 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,0,0,0|1,1,0]=3 134 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,0,0,0|2,1,0]=4 135 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,0,0,0|1,1,0]=3 137 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,1,0,0,0,0|2,1,0]=4 138 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,1,0,0,0,0|2,1,0]=4 139 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,0,0,0|2,1,0]=4 141 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,1,0,0,0,0|2,1,0]=4 142 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,1,0,0,0,0|2,1,0]=4 143 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,1,0,0,0,0|1,1,0]=3 144 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.2 Nc1nnc(s1)O 271570a_203496583355_100000738278 [0,1,0,0,0,0|2,1,0]=4 146 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,1,0,0,0,0|2,1,0]=4 147 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [0,1,0,0,0,0|0,1,0]=2 148 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,1,0,0,0,0|1,1,0]=3 149 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,1,0,0,0,0|2,1,0]=4 150 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,1,0,0,0,0|2,1,0]=4 151 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,0,0,0|0,1,0]=2 152 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,0,0,0|2,1,0]=4 153 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,1,0,0,0,0|3,0,0]=4 154 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,1,0,0,0,0|1,1,0]=3 155 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,0,0,0|2,1,0]=4 156 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,0,0,0|1,0,0]=2 157 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,1,0,0,0,0|2,1,0]=4 159 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,1,0,0,0,0|2,1,0]=4 160 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,0,0,0|2,1,0]=4 161 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,1,0,0,0,0|2,1,0]=4 162 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,1,0,0,0,0|3,0,0]=4 163 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,1,0,0,0,0|2,1,0]=4 165 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,1,0,0,0,0|3,0,0]=4 167 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,1,0,0,0,0|2,1,0]=4 168 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,1,0,0,0,0|2,1,0]=4 169 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,1,0,0,0,0|0,1,0]=2 170 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,1,0,0,0|1,1,1]=4 171 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,1,0,0,0|1,1,1]=4 172 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,1,0,0,0|1,1,1]=4 173 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,1,0,0,0|2,1,0]=4 174 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,1,0,0,0|2,1,0]=4 175 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,1,0,0,0|2,1,0]=4 176 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,1,0,0,0|1,1,1]=4 177 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,1,0,0,0|1,1,1]=4 178 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,1,0,0,0|2,1,0]=4 179 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,1,0,0,0|2,1,0]=4 180 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,1,0,0,0|2,1,0]=4 181 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,0,1,0,0,0|1,0,2]=4 182 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,0,1,0,0,0|1,0,2]=4 183 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,0,1,0,0,0|1,0,2]=4 184 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,0,1,0,0,0|1,0,2]=4 185 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,0,1,0,0,0|1,1,1]=4 186 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,0,1,0,0,0|2,1,0]=4 187 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,0,1,0,0,0|1,1,1]=4 188 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,0,1,0,0,0|1,1,1]=4 189 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,0,1,0,0,0|1,0,2]=4 190 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,0,1,0,0,0|1,0,2]=4 191 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,0,0,0,0,1|1,1,0]=3 192 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,0,0,0,0,1|1,1,0]=3 193 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,0,0,0,0,1|1,1,0]=3 194 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,0,0,0,0,1|1,1,0]=3 195 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [0,0,0,0,0,1|1,1,0]=3 196 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [0,0,0,0,0,1|1,1,0]=3 197 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [0,0,0,0,0,1|2,1,0]=4 198 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [0,0,0,0,0,1|1,1,0]=3 199 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [0,0,0,0,0,1|2,1,0]=4 200 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [0,0,0,0,0,1|1,1,0]=3 201 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,1,0,0,0|0,1,1]=4 202 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,1,0,0,0|0,1,1]=4 203 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,1,0,0,0|0,0,2]=4 204 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,1,0,0,0|0,0,2]=4 205 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,1,0,0,0|0,0,2]=4 206 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,1,0,0,0|0,0,2]=4 207 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,1,0,0,0|1,1,0]=4 208 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,1,0,0,0|1,1,0]=4 209 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,1,0,0,0|1,1,0]=4 210 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,1,1,0,0,0|1,0,1]=4 211 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,1,1,0,0,0|0,1,1]=4 212 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,1,1,0,0,0|0,1,1]=4 213 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,1,1,0,0,0|0,0,2]=4 214 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,1,1,0,0,0|0,0,2]=4 215 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [0,1,0,0,0,1|2,0,0]=4 223 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,1,0,0,0,1|2,0,0]=4 224 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,1,0,0,0,1|2,0,0]=4 226 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,1,0,0,0,1|2,0,0]=4 227 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,1,0,0,0,1|1,1,0]=4 229 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,1,0,0,0,1|1,1,0]=4 230 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,1,0,0,0,1|1,1,0]=4 231 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,1,0,0,0,1|1,1,0]=4 232 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,1,0,0,0,1|1,1,0]=4 233 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,1,0,0,0,1|1,0,0]=3 234 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,1,0,0,0,1|1,0,0]=3 235 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,1,0,0,0,1|1,0,0]=3 236 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,1,0,0,0,1|1,0,0]=3 237 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,1,0,0,0,1|1,0,0]=3 238 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,1,0,0,0,1|1,0,0]=3 239 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,1,0,0,0,1|1,0,0]=3 240 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,1,0,0,0,1|1,0,0]=3 241 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,1,0,0,0,1|1,0,0]=3 242 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,1,0,0,0,1|1,0,0]=3 243 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,1,0,0,0,1|1,0,0]=3 244 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,1,0,0,0,1|1,0,0]=3 245 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [0,1,0,0,0,1|2,0,0]=4 246 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,1,0,0,0,1|1,0,0]=3 248 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,1,0,0,0,1|1,0,0]=3 249 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [0,1,0,0,0,1|2,0,0]=4 250 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [0,1,0,0,0,1|1,0,0]=3 252 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [0,1,0,0,0,1|1,0,0]=3 253 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,1,0,0,0,1|1,1,0]=4 255 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,1,0,0,0,1|1,1,0]=4 256 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,1,0,0,0,1|1,1,0]=4 257 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,1,0,0,0,1|1,1,0]=4 258 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,1,0,0,0,1|1,1,0]=4 259 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,1,0,0,0,1|1,0,0]=3 260 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,1,0,0,0,1|1,0,0]=3 261 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,1,0,0,0,1|1,0,0]=3 262 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,1,0,0,0,1|1,0,0]=3 263 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,1,0,0,0,1|1,0,0]=3 264 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,1,0,0,0,1|1,0,0]=3 265 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,1,0,0,0,1|1,0,0]=3 266 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,1,0,0,0,1|1,0,0]=3 267 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,1,0,0,0,1|1,0,0]=3 268 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,1,0,0,0,1|1,0,0]=3 270 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,1,0,0,0,1|1,0,0]=3 271 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [0,1,0,0,0,1|2,0,0]=4 273 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,1,0,0,0,1|1,0,0]=3 274 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,1,0,0,0,1|1,0,0]=3 275 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [0,1,0,0,0,1|2,0,0]=4 276 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [0,1,0,0,0,1|1,0,0]=3 278 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [0,1,0,0,0,1|1,0,0]=3 279 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,1,0,0,0,1|1,1,0]=4 280 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,1,0,0,0,1|1,1,0]=4 281 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,1,0,0,0,1|1,1,0]=4 282 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,1,0,0,0,1|1,1,0]=4 283 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,1,0,0,0,1|1,1,0]=4 284 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,1,0,0,0,1|1,1,0]=4 285 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [0,1,0,0,0,1|1,1,0]=4 287 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [0,1,0,0,0,1|1,1,0]=4 288 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [0,1,0,0,0,1|1,1,0]=4 289 B8R1.3 Nc1ccc(nn1)O 271570a_203496583355_100009816609 [0,1,0,0,0,1|1,1,0]=4 290 B8R1.3 Nc1cnc(cn1)O 271570a_203496583355_100000761932 [0,1,0,0,0,1|1,1,0]=4 291 B8R1.3 Nc1cnc(nc1)O 271570a_203496583355_100000068403 [0,1,0,0,0,1|1,1,0]=4 292 B8R1.3 Nc1ncc(cn1)O 271570a_203496583355_100000760574 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,1,0,0,0,1|1,1,0]=4 294 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [0,1,0,0,0,1|1,1,0]=4 295 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [0,1,0,0,0,1|1,1,0]=4 296 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [0,1,0,0,0,1|1,1,0]=4 297 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [0,1,0,0,0,1|1,1,0]=4 298 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [0,1,0,0,0,1|1,1,0]=4 299 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [0,1,0,0,0,1|1,1,0]=4 300 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [0,1,0,0,0,1|1,1,0]=4 301 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [0,1,0,0,0,1|1,1,0]=4 302 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [0,1,0,0,0,1|1,1,0]=4 303 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [0,1,0,0,0,1|1,1,0]=4 304 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [0,1,0,0,0,1|1,1,0]=4 305 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [0,1,0,0,0,1|1,1,0]=4 306 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [0,1,0,0,0,1|1,1,0]=4 307 B8R1.3 Oc1cnc(cn1)F 271570a_203496583355_100009856528 [0,1,0,0,0,1|1,1,0]=4 308 B8R1.3 Oc1cnc(nc1)Br 271570a_203496583355_200012349914 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.3 Oc1cnc(nc1)F 271570a_203496583355_100000685262 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.3 Oc1cnc(nc1)O 271570a_203496583355_100000730009 [0,1,0,0,0,1|1,1,0]=4 311 B8R1.3 Oc1ncc(cn1)Br 271570a_203496583355_100000690281 [0,1,0,0,0,1|1,1,0]=4 312 B8R1.3 Oc1ncc(cn1)Cl 271570a_203496583355_100011356929 [0,1,0,0,0,1|1,1,0]=4 313 B8R1.3 Oc1ncc(cn1)F 271570a_203496583355_100000685220 [0,1,0,0,0,1|1,1,0]=4 314 B8R1.3 [O-][n+]1ccc(cc1)O 271570a_203496583355_100000039755 [0,1,0,0,0,1|1,1,0]=4 315 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,1,0,0,0,1|1,1,0]=4 316 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,1,0,0,0,1|1,1,0]=4 317 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,1,0,0,0,1|1,1,0]=4 318 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,1,0,0,0,1|1,1,0]=4 319 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,1,0,0,0,1|1,1,0]=4 320 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,1,0,0,0,1|1,1,0]=4 321 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,1,0,0,0,1|1,1,0]=4 322 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,1,0,0,0,1|1,1,0]=4 323 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,1,0,0,0,1|1,1,0]=4 324 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,1,0,0,0,1|1,1,0]=4 325 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,1,0,0,0,1|1,1,0]=4 326 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,1,0,0,0,1|1,1,0]=4 327 B8R1.4 Nc1cc(cnn1)O 271570a_203496583355_100000130277 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.4 Nc1cc(ncn1)O 271570a_203496583355_100000701291 [0,1,0,0,0,1|1,1,0]=4 329 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [0,1,0,0,0,1|1,1,0]=4 330 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,1,0,0,0,1|1,1,0]=4 331 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,1,0,0,0,1|1,1,0]=4 332 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,1,0,0,0,1|1,1,0]=4 333 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,1,0,0,0,1|1,1,0]=4 334 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,1,0,0,0,1|1,1,0]=4 335 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,1,0,0,0,1|1,1,0]=4 336 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,1,0,0,0,1|1,1,0]=4 337 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [0,1,0,0,0,1|1,1,0]=4 338 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,1,0,0,0,1|1,1,0]=4 339 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,1,0,0,0,1|1,1,0]=4 340 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,1,0,0,0,1|1,1,0]=4 341 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,1,0,0,0,1|1,1,0]=4 342 B8R1.4 Oc1cc(ncn1)F 271570a_203496583355_200009880791 [0,1,0,0,0,1|1,1,0]=4 343 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [0,1,0,0,0,1|1,1,0]=4 344 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [0,1,0,0,0,1|1,1,0]=4 345 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [0,1,0,0,0,1|1,1,0]=4 346 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [0,1,0,0,0,1|1,1,0]=4 347 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [0,1,0,0,0,1|1,1,0]=4 348 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [0,1,0,0,0,1|1,0,1]=4 349 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [0,1,0,0,0,1|1,1,0]=4 350 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [0,1,0,0,0,1|1,1,0]=4 351 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,1,0,0,0,1|1,1,0]=4 352 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,1,0,0,0,1|1,1,0]=4 353 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,1,0,0,0,1|1,1,0]=4 354 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,1,0,0,0,1|1,1,0]=4 355 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,1,0,0,0,1|1,1,0]=4 356 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,1,0,0,0,1|1,1,0]=4 357 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,1,0,0,0,1|1,1,0]=4 358 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,1,0,0,0,1|1,1,0]=4 359 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,1,0,0,0,1|1,1,0]=4 360 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,1,0,0,0,1|1,1,0]=4 361 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,1,0,0,0,1|1,1,0]=4 362 B8R1.4 Oc1cnnc(c1)O 271570a_203496583355_200010734679 [0,1,0,0,0,1|1,1,0]=4 363 B8R1.4 [O-][n+]1cccc(c1)O 271570a_203496583355_100009815978 [0,1,0,0,0,1|1,1,0]=4 364 B8R1.4 [O-][n+]1ccnc(c1)O 271570a_203496583355_100009880115 [0,1,0,0,0,1|1,1,0]=4 365 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,1,0,0,0,1|1,1,0]=4 366 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,1,0,0,0,1|1,1,0]=4 367 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,1,0,0,0,1|1,1,0]=4 368 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,1,0,0,0,1|1,1,0]=4 369 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [0,1,0,0,0,1|1,1,0]=4 370 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,1,0,0,0,1|1,1,0]=4 371 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [0,1,0,0,0,1|1,1,0]=4 372 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,1,0,0,0,1|1,1,0]=4 373 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,1,0,0,0,1|1,1,0]=4 374 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [0,1,0,0,0,1|1,1,0]=4 376 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,1,0,0,0,1|1,1,0]=4 377 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,1,0,0,0,1|1,1,0]=4 378 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,1,0,0,0,1|1,1,0]=4 379 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,1,0,0,0,1|1,1,0]=4 380 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,1,0,0,0,1|1,1,0]=4 381 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [0,1,0,0,0,1|1,1,0]=4 382 B8R1.5 Nc1ncncc1O 271570a_203496583355_100011996079 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,1,0,0,0,1|1,1,0]=4 384 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,1,0,0,0,1|1,1,0]=4 385 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [0,1,0,0,0,1|1,1,0]=4 386 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,1,0,0,0,1|1,1,0]=4 387 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [0,1,0,0,0,1|1,0,1]=4 388 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [0,1,0,0,0,1|1,1,0]=4 389 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [0,1,0,0,0,1|1,1,0]=4 390 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [0,1,0,0,0,1|1,1,0]=4 391 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [0,1,0,0,0,1|1,1,0]=4 392 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [0,1,0,0,0,1|1,1,0]=4 393 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [0,1,0,0,0,1|1,1,0]=4 394 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [0,1,0,0,0,1|1,1,0]=4 395 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,1,0,0,0,1|1,1,0]=4 396 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [0,1,0,0,0,1|1,1,0]=4 397 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [0,1,0,0,0,1|1,1,0]=4 398 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [0,1,0,0,0,1|1,1,0]=4 399 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [0,1,0,0,0,1|1,1,0]=4 400 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [0,1,0,0,0,1|1,1,0]=4 401 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [0,1,0,0,0,1|1,1,0]=4 402 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [0,1,0,0,0,1|1,1,0]=4 403 B8R1.5 Oc1cncnc1Br 271570a_203496583355_200012461658 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.5 Oc1cncnc1Cl 271570a_203496583355_100000758962 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [0,1,0,0,0,1|1,1,0]=4 406 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [0,1,0,0,0,1|1,1,0]=4 407 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [0,1,0,0,0,1|1,1,0]=4 408 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [0,1,0,0,0,1|1,1,0]=4 409 B8R1.5 Oc1nccnc1F 271570a_203496583355_200010125657 [0,1,0,0,0,1|1,1,0]=4 410 B8R1.5 Oc1ncncc1F 271570a_203496583355_100000069762 [0,1,0,0,0,1|1,1,0]=4 411 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [0,1,0,0,0,1|1,1,0]=4 412 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,2,0,0,0,0|1,0,0]=3 413 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [0,2,0,0,0,0|2,0,0]=4 414 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,2,0,0,0,0|1,0,0]=3 416 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [0,2,0,0,0,0|2,0,0]=4 417 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.1 C=Cc1csc(n1)N 271570a_100011290941_100011998049 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.1 C=Cc1nc(cs1)Br 271570a_100011290941_200016082925 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.1 C=Cc1nc(cs1)N 271570a_100011290941_200015188442 [0,2,0,0,0,0|2,0,0]=4 423 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,2,0,0,0,0|1,0,0]=3 425 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,2,0,0,0,0|0,1,0]=3 426 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [0,2,0,0,0,0|1,1,0]=4 427 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,2,0,0,0,0|1,1,0]=4 428 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,2,0,0,0,0|2,0,0]=4 430 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [0,2,0,0,0,0|2,0,0]=4 433 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [0,2,0,0,0,0|2,0,0]=4 434 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,2,0,0,0,0|0,0,0]=2 435 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,2,0,0,0,0|0,0,0]=2 436 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,2,0,0,0,0|0,0,0]=2 437 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [0,2,0,0,0,0|2,0,0]=4 439 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,2,0,0,0,0|2,0,0]=4 442 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,2,0,0,0,0|2,0,0]=4 443 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,2,0,0,0,0|0,0,0]=2 444 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,2,0,0,0,0|0,0,0]=2 445 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,2,0,0,0,0|0,0,0]=2 446 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,2,0,0,0,0|0,0,0]=2 447 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,2,0,0,0,0|2,0,0]=4 448 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,2,0,0,0,0|2,0,0]=4 449 B8R1.1 CSc1cn(cn1)C 62a_100000040308_200000210301 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.1 CSc1cn(cn1)C 62a_200000210301_100000040308 [0,2,0,0,0,0|2,0,0]=4 451 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [0,2,0,0,0,0|1,0,0]=3 453 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,2,0,0,0,0|1,0,0]=3 454 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,2,0,0,0,0|1,0,0]=3 457 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,2,0,0,0,0|1,0,0]=3 459 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,2,0,0,0,0|2,0,0]=4 464 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,2,0,0,0,0|2,0,0]=4 465 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [0,2,0,0,0,0|1,0,0]=3 466 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [0,2,0,0,0,0|1,0,0]=3 471 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [0,2,0,0,0,0|1,0,0]=3 472 B8R1.1 CSc1nc(ns1)C 62a_100000709739_200000210301 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.1 CSc1nc(ns1)C 62a_200000210301_100000709739 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.1 CSc1nc(ns1)O 271570a_203496583355_200010005773 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,2,0,0,0,0|1,0,0]=3 476 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,2,0,0,0,0|1,0,0]=3 477 B8R1.1 CSc1nnc(s1)C 62a_100000686958_200000210301 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.1 CSc1nnc(s1)C 62a_200000210301_100000686958 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.1 CSc1nnc(s1)N 62a_100000738278_200000210301 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.1 CSc1nnc(s1)N 62a_200000210301_100000738278 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,2,0,0,0,0|2,0,0]=4 482 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,2,0,0,0,0|2,0,0]=4 487 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,2,0,0,0,0|1,0,0]=3 490 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,2,0,0,0,0|1,0,0]=3 491 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,2,0,0,0,0|0,0,0]=2 492 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,2,0,0,0,0|0,0,0]=2 493 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,2,0,0,0,0|1,0,0]=3 495 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,2,0,0,0,0|0,0,0]=2 496 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,2,0,0,0,0|0,0,0]=2 497 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,2,0,0,0,0|1,0,0]=3 498 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,2,0,0,0,0|1,0,0]=3 499 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,2,0,0,0,0|2,0,0]=4 502 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,2,0,0,0,0|1,0,0]=3 504 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_100000686958_200025704644 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_200025704644_100000686958 [0,2,0,0,0,0|2,0,0]=4 507 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_100000709739_200025704644 [0,2,0,0,0,0|2,0,0]=4 508 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_200025704644_100000709739 [0,2,0,0,0,0|2,0,0]=4 509 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,2,0,0,0,0|2,0,0]=4 510 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_100000040308_200025704644 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_200025704644_100000040308 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.1 N#Cc1cc(cs1)O 271570a_203496583355_100000742465 [0,2,0,0,0,0|1,0,0]=3 515 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,2,0,0,0,0|0,2,0]=4 516 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,2,0,0,0,0|0,1,0]=3 517 B8R1.1 N#Cc1cnc(s1)O 271570a_203496583355_100009819632 [0,2,0,0,0,0|1,1,0]=4 518 B8R1.1 N#Cc1csc(n1)O 271570a_203496583355_100009819631 [0,2,0,0,0,0|1,1,0]=4 519 B8R1.1 N#Cc1nc(cs1)O 271570a_203496583355_100009819034 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,2,0,0,0,0|0,2,0]=4 521 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,2,0,0,0,0|0,1,0]=3 522 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,2,0,0,0,0|1,1,0]=4 523 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,2,0,0,0,0|1,1,0]=4 524 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,2,0,0,0,0|1,1,0]=4 525 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,2,0,0,0,0|0,2,0]=4 526 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [0,2,0,0,0,0|0,1,0]=3 527 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,2,0,0,0,0|0,2,0]=4 528 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,2,0,0,0,0|0,1,0]=3 529 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [0,2,0,0,0,0|1,1,0]=4 530 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [0,2,0,0,0,0|0,1,0]=3 531 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [0,2,0,0,0,0|1,1,0]=4 532 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [0,2,0,0,0,0|1,1,0]=4 533 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [0,2,0,0,0,0|1,1,0]=4 534 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,2,0,0,0,0|0,1,0]=3 535 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,2,0,0,0,0|0,2,0]=4 536 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,2,0,0,0,0|0,1,0]=3 537 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,2,0,0,0,0|1,1,0]=4 538 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,2,0,0,0,0|1,1,0]=4 539 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [0,2,0,0,0,0|1,1,0]=4 540 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,2,0,0,0,0|1,1,0]=4 541 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [0,2,0,0,0,0|2,0,0]=4 543 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [0,2,0,0,0,0|2,0,0]=4 544 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [0,2,0,0,0,0|2,0,0]=4 545 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,2,0,0,0,0|0,0,0]=2 546 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,2,0,0,0,0|0,0,0]=2 547 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [0,2,0,0,0,0|1,0,0]=3 548 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [0,2,0,0,0,0|1,0,0]=3 549 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,2,0,0,0,0|1,0,0]=3 550 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,2,0,0,0,0|1,0,0]=3 551 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [0,2,0,0,0,0|2,0,0]=4 552 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [0,2,0,0,0,0|1,0,0]=3 554 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [0,2,0,0,0,0|1,0,0]=3 555 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [0,2,0,0,0,0|1,0,0]=3 556 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [0,2,0,0,0,0|1,0,0]=3 557 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_100000738278_200025704644 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_200025704644_100000738278 [0,2,0,0,0,0|2,0,0]=4 559 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,2,0,0,0,0|1,1,0]=4 560 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,2,0,0,0,0|2,0,0]=4 563 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,2,0,0,0,0|1,1,0]=4 564 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [0,2,0,0,0,0|1,0,0]=3 565 B8R1.8 C=C=Cc1cncs1 271570a_100015277604_100011934649 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,2,0,0,0,0|1,1,0]=4 568 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,2,0,0,0,0|1,0,0]=3 569 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [0,2,0,0,0,0|2,0,0]=4 571 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,2,0,0,0,0|2,0,0]=4 572 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,2,0,0,0,0|2,0,0]=4 573 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,2,0,0,0,0|2,0,0]=4 575 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,2,0,0,0,0|0,1,0]=3 576 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,2,0,0,0,0|0,1,0]=3 577 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,2,0,0,0,0|0,0,0]=2 578 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,2,0,0,0,0|0,0,0]=2 579 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,2,0,0,0,0|2,0,0]=4 580 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,2,0,0,0,0|2,0,0]=4 581 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,2,0,0,0,0|2,0,0]=4 583 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,2,0,0,0,0|2,0,0]=4 584 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,2,0,0,0,0|2,0,0]=4 585 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,2,0,0,0,0|2,0,0]=4 586 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,2,0,0,0,0|2,0,0]=4 587 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,2,0,0,0,0|1,1,0]=4 588 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,2,0,0,0,0|1,1,0]=4 589 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,2,0,0,0,0|1,0,0]=3 590 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,2,0,0,0,0|1,0,0]=3 591 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,2,0,0,0,0|2,0,0]=4 594 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,2,0,0,0,0|1,1,0]=4 596 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,2,0,0,0,0|1,1,0]=4 597 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,2,0,0,0,0|1,0,0]=3 598 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,2,0,0,0,0|1,0,0]=3 599 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [0,2,0,0,0,0|2,0,0]=4 601 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [0,2,0,0,0,0|2,0,0]=4 602 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,2,0,0,0,0|1,1,0]=4 604 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,2,0,0,0,0|1,1,0]=4 605 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,2,0,0,0,0|1,1,0]=4 606 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,2,0,0,0,0|1,1,0]=4 607 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,2,0,0,0,0|1,0,0]=3 609 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,2,0,0,0,0|1,0,0]=3 610 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,2,0,0,0,0|2,0,0]=4 611 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,2,0,0,0,0|2,0,0]=4 613 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,2,0,0,0,0|2,0,0]=4 615 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,2,0,0,0,0|2,0,0]=4 616 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [0,2,0,0,0,0|2,0,0]=4 617 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [0,2,0,0,0,0|2,0,0]=4 618 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [0,2,0,0,0,0|2,0,0]=4 619 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [0,2,0,0,0,0|2,0,0]=4 620 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [0,2,0,0,0,0|2,0,0]=4 621 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,2,0,0,0,0|0,2,0]=4 623 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,2,0,0,0,0|0,1,0]=3 624 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,2,0,0,0,0|1,1,0]=4 625 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [0,2,0,0,0,0|1,1,0]=4 626 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,2,0,0,0,0|2,0,0]=4 627 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,2,0,0,0,0|1,0,0]=3 635 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,2,0,0,0,0|1,0,0]=3 636 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,2,0,0,0,0|1,1,0]=4 641 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,2,0,0,0,0|1,1,0]=4 642 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [0,2,0,0,0,0|1,0,0]=3 643 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [0,2,0,0,0,0|1,0,0]=3 644 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,2,0,0,0,0|2,0,0]=4 646 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,2,0,0,0,0|0,1,0]=3 649 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,2,0,0,0,0|0,1,0]=3 650 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,2,0,0,0,0|0,0,0]=2 651 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,2,0,0,0,0|0,0,0]=2 652 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.8 FCSc1ccon1 62a_100009818083_100015361967 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.8 FCSc1ccon1 62a_100015361967_100009818083 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,2,0,0,0,0|2,0,0]=4 657 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,2,0,0,0,0|2,0,0]=4 658 B8R1.8 FCSc1ccsn1 62a_100009818082_100015361967 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.8 FCSc1ccsn1 62a_100015361967_100009818082 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,2,0,0,0,0|1,1,0]=4 661 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,2,0,0,0,0|1,1,0]=4 662 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,2,0,0,0,0|1,0,0]=3 663 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,2,0,0,0,0|1,0,0]=3 664 B8R1.8 FCSc1cscn1 62a_100000751502_100015361967 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.8 FCSc1cscn1 62a_100015361967_100000751502 [0,2,0,0,0,0|2,0,0]=4 666 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [0,2,0,0,0,0|2,0,0]=4 667 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [0,2,0,0,0,0|2,0,0]=4 668 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [0,2,0,0,0,0|1,1,0]=4 669 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [0,2,0,0,0,0|1,1,0]=4 670 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [0,2,0,0,0,0|1,0,0]=3 671 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [0,2,0,0,0,0|2,0,0]=4 673 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [0,2,0,0,0,0|2,0,0]=4 674 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [0,2,0,0,0,0|2,0,0]=4 675 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [0,2,0,0,0,0|2,0,0]=4 676 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,2,0,0,0,0|1,1,0]=4 677 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,2,0,0,0,0|1,1,0]=4 678 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,2,0,0,0,0|1,0,0]=3 679 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,2,0,0,0,0|2,0,0]=4 680 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [0,2,0,0,0,0|2,0,0]=4 681 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,2,0,0,0,0|0,2,0]=4 682 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,2,0,0,0,0|0,1,0]=3 683 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,2,0,0,0,0|2,0,0]=4 689 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,2,0,0,0,0|2,0,0]=4 690 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,2,0,0,0,0|2,0,0]=4 691 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,2,0,0,0,0|1,0,0]=3 692 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,2,0,0,0,0|1,0,0]=3 693 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,2,0,0,0,0|1,1,0]=4 698 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,2,0,0,0,0|1,1,0]=4 699 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [0,2,0,0,0,0|1,0,0]=3 700 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [0,2,0,0,0,0|1,0,0]=3 701 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,2,0,0,0,0|1,0,0]=3 702 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [0,2,0,0,0,0|2,0,0]=4 703 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [0,2,0,0,0,0|1,0,0]=3 704 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,2,0,0,0,0|1,0,0]=3 705 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [0,2,0,0,0,0|2,0,0]=4 706 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,2,0,0,0,0|0,1,0]=3 707 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [0,2,0,0,0,0|2,0,0]=4 708 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,2,0,0,0,0|2,0,0]=4 710 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,2,0,0,0,0|1,0,0]=3 712 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,2,0,0,0,0|1,0,0]=3 713 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,2,0,0,0,0|2,0,0]=4 714 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,2,0,0,0,0|2,0,0]=4 715 B8R1.11 CSc1cscc1Br 62a_100010143727_200000210301 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.11 CSc1cscc1Br 62a_200000210301_100010143727 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,2,0,0,0,0|2,0,0]=4 718 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [0,2,0,0,0,0|2,0,0]=4 720 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [0,2,0,0,0,0|2,0,0]=4 721 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,2,0,0,0,0|2,0,0]=4 723 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [0,2,0,0,0,0|2,0,0]=4 724 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,2,0,0,0,0|2,0,0]=4 726 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,2,0,0,0,0|2,0,0]=4 729 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,2,0,0,0,0|2,0,0]=4 730 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,2,0,0,0,0|2,0,0]=4 731 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,2,0,0,0,0|0,0,0]=2 732 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,2,0,0,0,0|0,0,0]=2 733 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,2,0,0,0,0|0,0,0]=2 734 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,2,0,0,0,0|0,0,0]=2 735 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,2,0,0,0,0|0,0,0]=2 736 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,2,0,0,0,0|1,0,0]=3 737 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,2,0,0,0,0|1,0,0]=3 738 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,2,0,0,0,0|2,0,0]=4 740 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,2,0,0,0,0|0,0,0]=2 743 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,2,0,0,0,0|0,0,0]=2 744 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,2,0,0,0,0|2,0,0]=4 745 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,2,0,0,0,0|2,0,0]=4 746 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,2,0,0,0,0|1,0,0]=3 747 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,2,0,0,0,0|1,0,0]=3 748 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,2,0,0,0,0|1,0,0]=3 749 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,2,0,0,0,0|1,0,0]=3 750 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,2,0,0,0,0|2,0,0]=4 751 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,2,0,0,0,0|2,0,0]=4 752 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,2,0,0,0,0|2,0,0]=4 753 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,2,0,0,0,0|2,0,0]=4 754 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,2,0,0,0,0|2,0,0]=4 755 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,2,0,0,0,0|2,0,0]=4 756 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,2,0,0,0,0|2,0,0]=4 757 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,2,0,0,0,0|2,0,0]=4 758 B8R1.11 N#Cc1ccsc1O 271570a_203496583355_100009817073 [0,2,0,0,0,0|0,1,0]=3 759 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [0,2,0,0,0,0|1,0,0]=3 760 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,2,0,0,0,0|0,1,0]=3 761 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [0,2,0,0,0,0|0,1,0]=3 762 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,2,0,0,0,0|0,2,0]=4 763 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,2,0,0,0,0|0,1,0]=3 764 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,2,0,0,0,0|0,1,0]=3 765 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,2,0,0,0,0|0,1,0]=3 766 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,2,0,0,0,0|1,1,0]=4 767 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [0,2,0,0,0,0|2,0,0]=4 768 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [0,2,0,0,0,0|2,0,0]=4 769 B8R1.11 [13CH3]Sc1cscc1Br 62a_100010143727_200025704644 [0,2,0,0,0,0|2,0,0]=4 770 B8R1.11 [13CH3]Sc1cscc1Br 62a_200025704644_100010143727 [0,2,0,0,0,0|2,0,0]=4 771 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [0,2,0,0,0,0|2,0,0]=4 772 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [0,2,0,0,0,0|2,0,0]=4 773 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [0,2,0,0,0,0|2,0,0]=4 774 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [0,2,0,0,0,0|2,0,0]=4 775 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,2,0,0,0,0|0,0,0]=2 776 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,2,0,0,0,0|0,0,0]=2 777 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,2,0,0,0,0|1,0,0]=3 778 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,2,0,0,0,0|0,1,0]=3 779 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,2,0,0,0,0|0,1,0]=3 780 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,2,0,0,0,0|2,0,0]=4 781 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,2,0,0,0,0|1,1,0]=4 782 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,2,0,0,0,0|1,1,0]=4 783 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.18 Oc1cc(sc1Cl)Cl 271570a_203496583355_100010244177 [0,2,0,0,0,0|1,0,0]=3 785 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,2,0,0,0,0|2,0,0]=4 786 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,2,0,0,0,0|1,0,0]=3