0 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [0,0,0,0,0,0|1,0,1]=2 5 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 C=Cc1cnoc1 271570a_100011290941_100009815712 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [1,0,0,0,0,0|0,0,0]=1 61 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [1,0,0,0,0,0|1,0,0]=2 64 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [1,0,0,0,0,0|1,0,0]=2 65 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.1 C=Cc1cn(nn1)C 271570a_100011290941_100000760339 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.1 C=Cc1cnn(c1)C 271570a_100011290941_100000748075 [0,1,0,0,0,0|1,0,1]=3 71 B8R1.1 C=Cc1cnn(n1)C 271570a_100011290941_100000733932 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.1 CSc1cn(nn1)C 62a_100000760339_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 CSc1cn(nn1)C 62a_200000210301_100000760339 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.1 CSc1cnn(c1)C 62a_100000745744_200000210301 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.1 CSc1cnn(c1)C 62a_200000210301_100000745744 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.1 CSc1cnn(n1)C 62a_100000733932_200000210301 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 CSc1cnn(n1)C 62a_200000210301_100000733932 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_100000745744_200025704644 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_200025704644_100000745744 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.1 Cn1cc(nn1)CBr 274090a_200000210301_100000184674 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.1 Cn1cc(nn1)CCl 274090a_200000210301_100000038162 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.1 Cn1cc(nn1)CN 274090a_200000210301_100000212058 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.1 Cn1cc(nn1)CO 274090a_200000210301_100000210247 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_100000760339_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_200025704644_100000760339 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_100000733932_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_200025704644_100000733932 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,1,0,0,0,0|1,0,2]=4 94 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 [13CH3]n1cc(nn1)CBr 274090a_200025704644_100000184674 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 [13CH3]n1cc(nn1)CCl 274090a_200025704644_100000038162 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.1 [13CH3]n1cc(nn1)CN 274090a_200025704644_100000212058 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.1 [13CH3]n1cc(nn1)CO 274090a_200025704644_100000210247 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,1,0,0,0,0|1,0,1]=3 104 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.8 C=C=Cc1cn[nH]c1 271570a_100015277604_100000238712 [0,1,0,0,0,0|1,0,1]=3 107 B8R1.8 C=C=Cc1cnoc1 271570a_100015277604_100009815712 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.8 C=C=Cc1cnsc1 271570a_100015277604_100009815736 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.8 CC=Cc1cn[nH]c1 271570a_100016259895_100000238712 [0,1,0,0,0,0|1,0,1]=3 110 B8R1.8 CC=Cc1cnoc1 271570a_100016259895_100009815712 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.8 CC=Cc1cnsc1 271570a_100016259895_100009815736 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.8 CCSc1c[nH]nn1 62a_100000210202_100009819707 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.8 CCSc1c[nH]nn1 62a_100009819707_100000210202 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.8 CCSc1cn[nH]c1 62a_100000210202_100000238712 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.8 CCSc1cn[nH]c1 62a_100000238712_100000210202 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.8 CCSc1cnoc1 62a_100000210202_100009815712 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.8 CCSc1cnoc1 62a_100009815712_100000210202 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.8 CCSc1cnsc1 62a_100000210202_100009815736 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.8 CCSc1cnsc1 62a_100009815736_100000210202 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.8 CNCc1csnn1 270004a_106832991635_100000738508 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.8 COCc1nnn[nH]1 34a_100138415774_100000765167 [0,1,0,0,0,0|2,0,1]=4 175 B8R1.8 COCn1cncn1 34a_100138415774_200020645497 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,1,0,0,0,0|2,1,0]=4 177 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,1,0,0,0,0|2,1,0]=4 178 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,1,0,0,0,0|2,1,0]=4 179 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,1,0,0,0,0|2,1,0]=4 180 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,1,0,0,0,0|2,1,0]=4 181 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,1,0,0,0,0|2,1,0]=4 182 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,1,0,0,0,0|2,1,0]=4 183 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,1,0,0,0,0|2,1,0]=4 184 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.8 FCSc1c[nH]nn1 62a_100009819707_100015361967 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.8 FCSc1c[nH]nn1 62a_100015361967_100009819707 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.8 FCSc1cn[nH]c1 62a_100000238712_100015361967 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.8 FCSc1cn[nH]c1 62a_100015361967_100000238712 [0,1,0,0,0,0|1,0,0]=2 198 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.8 FCSc1cnoc1 62a_100009815712_100015361967 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.8 FCSc1cnoc1 62a_100015361967_100009815712 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.8 FCSc1cnsc1 62a_100009815736_100015361967 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.8 FCSc1cnsc1 62a_100015361967_100009815736 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,1,0,0,0,0|2,1,0]=4 217 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,1,0,0,0,0|2,1,0]=4 218 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,1,0,0,0,0|2,1,0]=4 219 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,1,0,0,0,0|2,1,0]=4 220 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,1,0,0,0,0|2,1,0]=4 221 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,1,0,0,0,0|2,1,0]=4 222 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,1,0,0,0,0|2,1,0]=4 223 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,1,0,0,0,0|2,1,0]=4 224 B8R1.11 C=Cc1c[nH]nc1Br 271570a_100011290941_100011012988 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [0,1,0,0,0,0|1,0,1]=3 226 B8R1.11 C=Cc1c[nH]nc1F 271570a_100011290941_100015597042 [0,1,0,0,0,0|1,0,1]=3 227 B8R1.11 C=Cc1c[nH]nc1N 271570a_100011290941_100000717100 [0,1,0,0,0,0|1,0,1]=3 228 B8R1.11 C=Cc1cnoc1C 271570a_100011290941_100009872056 [0,1,0,0,0,0|2,0,1]=4 229 B8R1.11 C=Cc1conc1N 271570a_100011290941_100012597345 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.11 CSc1c[nH]nc1Br 62a_100011012988_200000210301 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.11 CSc1c[nH]nc1Br 62a_200000210301_100011012988 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.11 CSc1c[nH]nc1F 62a_100015597042_200000210301 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.11 CSc1c[nH]nc1F 62a_200000210301_100015597042 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.11 CSc1c[nH]nc1N 62a_100000717100_200000210301 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.11 CSc1c[nH]nc1N 62a_200000210301_100000717100 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.11 N#Cc1cn[nH]c1O 271570a_203496583355_100010888374 [0,1,0,0,0,0|1,0,1]=3 250 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_100011012988_200025704644 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_200025704644_100011012988 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_100015597042_200025704644 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_200025704644_100015597042 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_100000717100_200025704644 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_200025704644_100000717100 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,1,0,0,0|3,0,0]=4 264 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,0,1,0,0,0|2,0,1]=4 266 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 267 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [0,0,0,0,0,1|2,0,1]=4 269 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [0,0,0,0,0,1|1,0,2]=4 271 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,0,0,0,0,1|2,0,1]=4 272 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [0,0,0,0,0,1|1,0,2]=4 273 B8R1.2 C=Cc1cnnnc1 271570a_100011290941_100009846058 [0,0,0,0,0,1|1,0,2]=4 274 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [0,0,0,0,0,1|2,0,1]=4 280 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [0,0,0,0,0,1|2,0,1]=4 288 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [0,0,0,0,0,1|2,0,1]=4 289 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [0,0,0,0,0,1|2,0,1]=4 293 B8R1.2 CSc1cnnnc1 62a_100009846058_200000210301 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.2 CSc1cnnnc1 62a_200000210301_100009846058 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [0,0,0,0,0,1|2,0,1]=4 299 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [0,0,0,0,0,1|2,0,1]=4 300 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [0,0,0,0,0,1|2,0,1]=4 308 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [0,0,0,0,0,1|2,0,1]=4 311 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [0,0,0,0,0,1|2,0,1]=4 312 B8R1.2 [13CH3]Sc1cnnnc1 62a_100009846058_200025704644 [0,0,0,0,0,1|2,0,1]=4 313 B8R1.2 [13CH3]Sc1cnnnc1 62a_200025704644_100009846058 [0,0,0,0,0,1|2,0,1]=4 314 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,1,0,0,0|1,0,1]=4 315 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,1,0,0,0|1,0,1]=4 316 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,1,0,0,0|1,0,1]=4 317 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|1,0,1]=4 318 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|1,0,1]=4 319 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 320 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|1,0,1]=4 321 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 322 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 323 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 324 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [1,1,0,0,0,0|1,0,0]=3 329 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [1,1,0,0,0,0|1,0,0]=3 330 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,1,0,0,0,0|0,0,0]=2 335 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [1,1,0,0,0,0|1,0,0]=3 339 B7R1.2 Cn1nnc(n1)O 271570a_203496583355_200009870515 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [1,1,0,0,0,0|0,0,0]=2 344 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,1,0,0,0,0|2,0,0]=4 346 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [1,1,0,0,0,0|0,0,0]=2 347 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,1,0,0,0,0|1,0,0]=3 349 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [1,1,0,0,0,0|1,0,0]=3 355 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [1,1,0,0,0,0|0,0,0]=2 356 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [1,1,0,0,0,0|1,0,0]=3 357 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [1,1,0,0,0,0|0,0,0]=2 359 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [1,1,0,0,0,0|0,0,0]=2 360 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.1 C=Cc1cnc(=O)[nH]c1 271570a_100011290941_102495366499 [0,1,0,0,0,1|1,0,1]=4 363 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [0,1,0,0,0,1|1,0,1]=4 365 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [0,1,0,0,0,1|0,0,1]=3 373 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.2 C=Cc1cn[nH]c(=O)c1 271570a_100011290941_100010197405 [0,1,0,0,0,1|1,0,1]=4 376 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.2 CSc1cn[nH]c(=O)c1 62a_200000210301_100010197405 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [0,1,0,0,0,1|1,0,0]=3 384 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,1,0,0,0,1|1,0,0]=3 387 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,0,0,1|1,0,0]=3 388 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,1,0,0,0,1|1,0,0]=3 389 B9R1.2 [13CH3]Sc1cn[nH]c(=O)c1 62a_200025704644_100010197405 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [0,1,0,0,0,1|1,0,1]=4 396 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [0,1,0,0,0,1|1,0,1]=4 397 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.8 CCSc1ccnnc1 62a_100000210202_100000732662 [0,1,0,0,0,1|1,0,1]=4 404 B9R1.8 CCSc1ccnnc1 62a_100000732662_100000210202 [0,1,0,0,0,1|1,0,1]=4 405 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.8 CCSc1cncnc1 62a_100000210202_100011206942 [0,1,0,0,0,1|1,0,1]=4 408 B9R1.8 CCSc1cncnc1 62a_100011206942_100000210202 [0,1,0,0,0,1|1,0,1]=4 409 B9R1.8 CCSc1cnnnc1 62a_100000210202_100009846058 [0,1,0,0,0,1|1,0,1]=4 410 B9R1.8 CCSc1cnnnc1 62a_100009846058_100000210202 [0,1,0,0,0,1|1,0,1]=4 411 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [0,1,0,0,0,1|1,0,1]=4 420 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [0,1,0,0,0,1|1,0,1]=4 425 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [0,1,0,0,0,1|1,0,1]=4 426 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [0,1,0,0,0,1|1,0,1]=4 427 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [0,1,0,0,0,1|1,0,1]=4 428 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [0,1,0,0,0,1|1,0,1]=4 429 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,1,0,0,0,1|1,0,0]=3 434 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [0,1,0,0,0,1|0,0,1]=3 437 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,1,0,0,0,1|1,1,0]=4 438 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,1,0,0,0,1|1,1,0]=4 439 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,1,0,0,0,1|1,1,0]=4 440 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,1,0,0,0,1|1,1,0]=4 441 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,1,0,0,0,1|1,1,0]=4 442 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,1,0,0,0,1|1,1,0]=4 443 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [0,1,0,0,0,1|0,1,1]=4 444 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [0,1,0,0,0,1|0,1,1]=4 445 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.8 FCOc1ccnnc1 34a_100015204005_100015361967 [0,1,0,0,0,1|1,0,1]=4 449 B9R1.8 FCOc1cncnc1 7a_100000754086_100015361967 [0,1,0,0,0,1|1,0,1]=4 450 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.8 FCSc1ccnnc1 62a_100000732662_100015361967 [0,1,0,0,0,1|1,0,1]=4 457 B9R1.8 FCSc1ccnnc1 62a_100015361967_100000732662 [0,1,0,0,0,1|1,0,1]=4 458 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.8 FCSc1cncnc1 62a_100011206942_100015361967 [0,1,0,0,0,1|1,0,1]=4 461 B9R1.8 FCSc1cncnc1 62a_100015361967_100011206942 [0,1,0,0,0,1|1,0,1]=4 462 B9R1.8 FCSc1cnnnc1 62a_100009846058_100015361967 [0,1,0,0,0,1|1,0,1]=4 463 B9R1.8 FCSc1cnnnc1 62a_100015361967_100009846058 [0,1,0,0,0,1|1,0,1]=4 464 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [0,1,0,0,0,1|1,0,1]=4 465 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,1,0,0,0,1|1,1,0]=4 468 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,1,0,0,0,1|1,1,0]=4 469 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,1,0,0,0,1|1,1,0]=4 470 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,1,0,0,0,1|1,1,0]=4 471 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,1,0,0,0,1|1,1,0]=4 472 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,1,0,0,0,1|1,1,0]=4 473 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [0,1,0,0,0,1|0,1,1]=4 474 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [0,1,0,0,0,1|0,1,1]=4 475 B9R1.15 C=Cc1ccn[nH]c1=O 271570a_100011290941_100000087129 [0,1,0,0,0,1|1,0,1]=4 476 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [0,1,0,0,0,1|1,0,1]=4 479 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.15 CSc1ccn[nH]c1=O 62a_200000210301_100000087129 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [0,1,0,0,0,1|1,0,0]=3 488 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.15 [13CH3]Sc1ccn[nH]c1=O 62a_200025704644_100000087129 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.7 C=C=Cc1cnn(c1)C 271570a_100015277604_100000748075 [0,2,0,0,0,0|1,0,1]=4 494 B9R1.7 CC=Cc1cnn(c1)C 271570a_100016259895_100000748075 [0,2,0,0,0,0|1,0,1]=4 495 B9R1.7 CCCc1cn(nn1)C 274090a_200000210301_100000038952 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.7 CCCc1cn(nn1)[13CH3] 274090a_200025704644_100000038952 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.7 CCOc1cn(nn1)C 274090a_200000210301_100000036479 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.7 CCOc1cn(nn1)[13CH3] 274090a_200025704644_100000036479 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.7 CCOc1cnn(c1)C 34a_100000707646_100000210202 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.7 CCSc1cn(nn1)C 62a_100000210202_100000760339 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.7 CCSc1cn(nn1)C 62a_100000760339_100000210202 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.7 CCSc1cnn(c1)C 62a_100000210202_100000745744 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.7 CCSc1cnn(c1)C 62a_100000745744_100000210202 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.7 CCSc1cnn(n1)C 62a_100000210202_100000733932 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.7 CCSc1cnn(n1)C 62a_100000733932_100000210202 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.7 CNCc1cn(nn1)C 207a_100102657272_100000749909 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.7 CNCc1cn(nn1)C 270004a_106832991635_100000749909 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.7 CNCc1cn(nn1)C 274090a_200000210301_100000225692 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.7 CNCc1cn(nn1)[13CH3] 274090a_200025704644_100000225692 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.7 CNCc1cnn(c1)C 207a_100102657272_100000206001 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.7 CNCc1cnn(c1)C 2230a_106832991635_100000744441 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.7 CNCc1cnn(c1)C 270004a_106832991635_100000206001 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.7 CNCc1cnn(c1)C 34a_100000744365_200000210301 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.7 CNCc1cnn(c1)C 34a_100102657272_100000744441 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.7 CNCc1cnn(c1)C 7a_106832991635_100000744441 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.7 COCc1ccn(n1)C 34a_100000744484_200000210301 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.7 COCc1ccn(n1)C 34a_100138415774_100000726502 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.7 COCc1cn(cn1)C 34a_100000710007_200000210301 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.7 COCc1cn(cn1)C 34a_100138415774_100000717665 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.7 COCc1cn(nn1)C 274090a_200000210301_100000029495 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.7 COCc1cn(nn1)[13CH3] 274090a_200025704644_100000029495 [0,2,0,0,0,0|1,0,0]=3 525 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.7 COCc1cnn(c1)C 34a_100000239500_200000210301 [0,2,0,0,0,0|0,0,0]=2 533 B9R1.7 COCc1cnn(c1)C 34a_100138415774_100000744441 [0,2,0,0,0,0|0,0,0]=2 534 B9R1.7 COCc1csc(c1)Cl 34a_100009863405_200000210301 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.7 COCc1csc(c1)Cl 7a_100009863405_200000210301 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.7 CSCc1cnn(c1)C 62a_100000744441_200000210301 [0,2,0,0,0,0|0,1,0]=3 537 B9R1.7 CSCc1cnn(c1)C 62a_200000210301_100000744441 [0,2,0,0,0,0|0,1,0]=3 538 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.7 Cn1cc(cn1)CN[13CH3] 34a_100000744365_200025704644 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.7 Cn1cc(cn1)CO[13CH3] 34a_100000239500_200025704644 [0,2,0,0,0,0|0,0,0]=2 542 B9R1.7 Cn1cc(cn1)CS[13CH3] 62a_100000744441_200025704644 [0,2,0,0,0,0|0,1,0]=3 543 B9R1.7 Cn1cc(cn1)CS[13CH3] 62a_200025704644_100000744441 [0,2,0,0,0,0|0,1,0]=3 544 B9R1.7 Cn1cc(cn1)OCF 34a_100000707646_100015361967 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.7 Cn1cc(cn1)SCF 62a_100000745744_100015361967 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.7 Cn1cc(cn1)SCF 62a_100015361967_100000745744 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.7 Cn1cc(nn1)CCBr 274090a_200000210301_100000688953 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.7 Cn1cc(nn1)CCCl 274090a_200000210301_100000753159 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.7 Cn1cc(nn1)CCI 274090a_200000210301_100000730999 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.7 Cn1cc(nn1)CCN 274090a_200000210301_100000755551 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.7 Cn1cc(nn1)CCO 274090a_200000210301_100011215631 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.7 Cn1cc(nn1)CON 274090a_200000210301_100000732762 [0,2,0,0,0,0|1,0,0]=3 553 B9R1.7 Cn1cc(nn1)SCF 62a_100000760339_100015361967 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.7 Cn1cc(nn1)SCF 62a_100015361967_100000760339 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.7 Cn1ccc(n1)CO[13CH3] 34a_100000744484_200025704644 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.7 Cn1cnc(c1)CO[13CH3] 34a_100000710007_200025704644 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.7 Cn1ncc(n1)SCF 62a_100000733932_100015361967 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.7 Cn1ncc(n1)SCF 62a_100015361967_100000733932 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.7 [13CH3]OCc1csc(c1)Cl 34a_100009863405_200025704644 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.7 [13CH3]OCc1csc(c1)Cl 7a_100009863405_200025704644 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.7 [13CH3]n1cc(nn1)CCBr 274090a_200025704644_100000688953 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.7 [13CH3]n1cc(nn1)CCCl 274090a_200025704644_100000753159 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.7 [13CH3]n1cc(nn1)CCI 274090a_200025704644_100000730999 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.7 [13CH3]n1cc(nn1)CCN 274090a_200025704644_100000755551 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.7 [13CH3]n1cc(nn1)CCO 274090a_200025704644_100011215631 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.7 [13CH3]n1cc(nn1)CON 274090a_200025704644_100000732762 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.21 C=Cc1cnn(c1)C=C 271570a_100011290941_100009816630 [0,2,0,0,0,0|1,0,1]=4 572 B9R1.21 C=Cc1cnn(c1)CC 271570a_100011290941_100011400201 [0,2,0,0,0,0|1,0,1]=4 573 B9R1.21 C=Cc1ncc(s1)CO 271570a_100011290941_100009816753 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.21 C=Cn1cc(cn1)SC 62a_100000123030_200000210301 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.21 C=Cn1cc(cn1)SC 62a_200000210301_100000123030 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.21 C=Cn1cc(cn1)S[13CH3] 62a_100000123030_200025704644 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.21 C=Cn1cc(cn1)S[13CH3] 62a_200025704644_100000123030 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.21 CCn1cc(cn1)OC 34a_100000708037_200000210301 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.21 CCn1cc(cn1)O[13CH3] 34a_100000708037_200025704644 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.21 CCn1cc(cn1)SC 62a_100011400201_200000210301 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.21 CCn1cc(cn1)SC 62a_200000210301_100011400201 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_100011400201_200025704644 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_200025704644_100011400201 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.21 CCn1cc(nn1)CBr 274090a_100000204670_100000184674 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.21 CCn1cc(nn1)CCl 274090a_100000204670_100000038162 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.21 CCn1cc(nn1)CN 274090a_100000204670_100000212058 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.21 CCn1cc(nn1)CO 274090a_100000204670_100000210247 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.21 CSc1cc(on1)CO 62a_100009816691_200000210301 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.21 CSc1cc(on1)CO 62a_200000210301_100009816691 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.21 CSc1ncc(s1)CO 62a_100009816753_200000210301 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.21 CSc1ncc(s1)CO 62a_200000210301_100009816753 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.21 FCn1cc(nn1)CBr 274090a_100015361967_100000184674 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.21 FCn1cc(nn1)CCl 274090a_100015361967_100000038162 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.21 NCc1cn(nn1)CF 274090a_100015361967_100000212058 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.21 OCc1cn(nn1)CF 274090a_100015361967_100000210247 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_100009816691_200025704644 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_200025704644_100009816691 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_100009816753_200025704644 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_200025704644_100009816753 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.22 C=Cc1cn(nc1C)C 271570a_100011290941_100011996311 [0,2,0,0,0,0|1,0,1]=4 601 B9R1.22 C=Cc1cn(nc1N)C 271570a_100011290941_100010776223 [0,2,0,0,0,0|1,0,1]=4 602 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.22 CSc1cn(nc1N)C 62a_100010776223_200000210301 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.22 CSc1cn(nc1N)C 62a_200000210301_100010776223 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.22 Cc1nc(sc1CO)O 271570a_203496583355_100010264302 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.22 Cn1cc(c(n1)CO)O 271570a_203496583355_100009816719 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.22 Cn1cc(c(n1)N)S[13CH3] 62a_100010776223_200025704644 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.22 Cn1cc(c(n1)N)S[13CH3] 62a_200025704644_100010776223 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.35 C=C(C)c1cnn(c1)C 271570a_100000694244_100000748075 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.35 CC(C)c1cn(nn1)C 274090a_200000210301_200011470540 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.35 CC(C)c1cn(nn1)[13CH3] 274090a_200025704644_200011470540 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.35 CC(Cl)c1cn(nn1)C 274090a_200000210301_200000035995 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.35 CC(Cl)c1cn(nn1)[13CH3] 274090a_200025704644_200000035995 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.35 CC(N)c1cn(nn1)C 274090a_200000210301_100000707721 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.35 CC(N)c1cn(nn1)[13CH3] 274090a_200025704644_100000707721 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.35 C[C@@H](O)c1cn(nn1)C 274090a_200000210301_100009815206 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.35 C[C@@H](O)c1cn(nn1)[13CH3] 274090a_200025704644_100009815206 [0,2,0,0,0,0|1,0,0]=3 621 B9R1.132 C=Cc1cnn(c1C)C 271570a_100011290941_100000722751 [0,2,0,0,0,0|1,0,1]=4 622 B9R1.132 C=Cc1cnn(c1F)C 271570a_100011290941_200011161937 [0,2,0,0,0,0|1,0,1]=4 623 B9R1.132 CSc1cnn(c1C)C 62a_100012354625_200000210301 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.132 CSc1cnn(c1C)C 62a_200000210301_100012354625 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.132 CSc1cnn(c1F)C 62a_200000210301_200011161937 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.132 CSc1cnn(c1F)C 62a_200011161937_200000210301 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.132 CSc1cnn(c1N)C 62a_100020588448_200000210301 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.132 CSc1cnn(c1N)C 62a_200000210301_100020588448 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_100012354625_200025704644 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_200025704644_100012354625 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.132 Cc1n[nH]c(c1O)CO 271570a_203496583355_100015664438 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.132 Cn1ncc(c1F)S[13CH3] 62a_200011161937_200025704644 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.132 Cn1ncc(c1F)S[13CH3] 62a_200025704644_200011161937 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.132 Cn1ncc(c1N)S[13CH3] 62a_100020588448_200025704644 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.132 Cn1ncc(c1N)S[13CH3] 62a_200025704644_100020588448 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.132 Cn1ncc(c1O)C#N 271570a_203496583355_100000702867 [0,2,0,0,0,0|1,0,1]=4 637 B9R1.132 Cn1ncc(c1O)CO 271570a_203496583355_100011063722 [0,2,0,0,0,0|0,0,0]=2 638 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.11 CNC(C)c1cn[nH]c1 269862a_106832991636_100000725364 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.41 C=C(C)c1c[nH]nc1Br 271570a_100000694244_100011012988 [0,2,0,0,0,0|1,0,1]=4 645 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,2,0,0,0,0|1,0,1]=4 646 B9R1.41 C=C(C)c1c[nH]nc1F 271570a_100000694244_100015597042 [0,2,0,0,0,0|1,0,1]=4 647 B9R1.41 C=C(C)c1c[nH]nc1N 271570a_100000694244_100000717100 [0,2,0,0,0,0|1,0,1]=4 648 B9R1.12 C#CCSc1c[nH]nn1 62a_100000038162_100009819707 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.12 C#CCSc1cn[nH]c1 62a_100000038162_100000238712 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.12 C#CCSc1cnoc1 62a_100000038162_100009815712 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.12 C#CCSc1cnsc1 62a_100000038162_100009815736 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.12 C=CCSc1c[nH]nn1 62a_100000210623_100009819707 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.12 C=CCSc1c[nH]nn1 62a_100009819707_100000210623 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.12 C=CCSc1cn[nH]c1 62a_100000210623_100000238712 [0,2,0,0,0,0|1,0,0]=3 655 B9R1.12 C=CCSc1cn[nH]c1 62a_100000238712_100000210623 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.12 C=CCSc1cnoc1 62a_100000210623_100009815712 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.12 C=CCSc1cnoc1 62a_100009815712_100000210623 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.12 C=CCSc1cnsc1 62a_100000210623_100009815736 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.12 C=CCSc1cnsc1 62a_100009815736_100000210623 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.12 CCCSc1c[nH]nn1 62a_100000210303_100009819707 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.12 CCCSc1c[nH]nn1 62a_100009819707_100000210303 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.12 CCCSc1cn[nH]c1 62a_100000210303_100000238712 [0,2,0,0,0,0|1,0,0]=3 666 B9R1.12 CCCSc1cn[nH]c1 62a_100000238712_100000210303 [0,2,0,0,0,0|1,0,0]=3 667 B9R1.12 CCCSc1cnoc1 62a_100000210303_100009815712 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.12 CCCSc1cnoc1 62a_100009815712_100000210303 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.12 CCCSc1cnsc1 62a_100000210303_100009815736 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.12 CCCSc1cnsc1 62a_100009815736_100000210303 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.12 CCNCc1cn[nH]c1 207a_100015525214_100016992096 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.12 CCNCc1cn[nH]c1 270004a_100015525214_100016992096 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [0,2,0,0,0,0|1,0,0]=3 681 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [0,2,0,0,0,0|1,0,0]=3 682 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [0,2,0,0,0,0|1,0,0]=3 683 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.12 COCCc1cn[nH]c1 34a_100000766553_200000210301 [0,2,0,0,0,0|0,0,0]=2 685 B9R1.12 COCCc1cnoc1 34a_100000732699_200000210301 [0,2,0,0,0,0|1,0,0]=3 686 B9R1.12 COCCn1ccnc1 34a_100000719764_200000210301 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.12 COCCn1cnnc1 34a_200011637517_200000210301 [0,2,0,0,0,0|1,0,1]=4 688 B9R1.12 COCSc1c[nH]cn1 62a_100000756875_100000766300 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.12 COCSc1c[nH]cn1 62a_100000766300_100000756875 [0,2,0,0,0,0|2,0,0]=4 690 B9R1.12 COCSc1c[nH]nn1 62a_100000766300_100009819707 [0,2,0,0,0,0|1,0,0]=3 691 B9R1.12 COCSc1c[nH]nn1 62a_100009819707_100000766300 [0,2,0,0,0,0|1,0,0]=3 692 B9R1.12 COCSc1cc[nH]n1 62a_100000062575_100000766300 [0,2,0,0,0,0|2,0,0]=4 693 B9R1.12 COCSc1cc[nH]n1 62a_100000766300_100000062575 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.12 COCSc1ccoc1 62a_100000766300_100011215275 [0,2,0,0,0,0|2,0,0]=4 695 B9R1.12 COCSc1ccoc1 62a_100011215275_100000766300 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.12 COCSc1ccsc1 62a_100000738268_100000766300 [0,2,0,0,0,0|2,0,0]=4 697 B9R1.12 COCSc1ccsc1 62a_100000766300_100000738268 [0,2,0,0,0,0|2,0,0]=4 698 B9R1.12 COCSc1cn[nH]c1 62a_100000238712_100000766300 [0,2,0,0,0,0|0,0,0]=2 699 B9R1.12 COCSc1cn[nH]c1 62a_100000766300_100000238712 [0,2,0,0,0,0|0,0,0]=2 700 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.12 COCSc1cncs1 62a_100000766300_100011934649 [0,2,0,0,0,0|2,0,0]=4 703 B9R1.12 COCSc1cncs1 62a_100011934649_100000766300 [0,2,0,0,0,0|2,0,0]=4 704 B9R1.12 COCSc1cnoc1 62a_100000766300_100009815712 [0,2,0,0,0,0|1,0,0]=3 705 B9R1.12 COCSc1cnoc1 62a_100009815712_100000766300 [0,2,0,0,0,0|1,0,0]=3 706 B9R1.12 COCSc1cnsc1 62a_100000766300_100009815736 [0,2,0,0,0,0|1,0,0]=3 707 B9R1.12 COCSc1cnsc1 62a_100009815736_100000766300 [0,2,0,0,0,0|1,0,0]=3 708 B9R1.12 CSCCc1cn[nH]c1 62a_100000743252_200000210301 [0,2,0,0,0,0|0,1,0]=3 709 B9R1.12 CSCCc1cn[nH]c1 62a_200000210301_100000743252 [0,2,0,0,0,0|0,1,0]=3 710 B9R1.12 CSCSc1c[nH]nn1 62a_100009819707_100011218213 [0,2,0,0,0,0|1,1,0]=4 711 B9R1.12 CSCSc1c[nH]nn1 62a_100011218213_100009819707 [0,2,0,0,0,0|1,1,0]=4 712 B9R1.12 CSCSc1cn[nH]c1 62a_100000238712_100011218213 [0,2,0,0,0,0|0,1,0]=3 713 B9R1.12 CSCSc1cn[nH]c1 62a_100011218213_100000238712 [0,2,0,0,0,0|0,1,0]=3 714 B9R1.12 CSCSc1cnoc1 62a_100009815712_100011218213 [0,2,0,0,0,0|1,1,0]=4 715 B9R1.12 CSCSc1cnoc1 62a_100011218213_100009815712 [0,2,0,0,0,0|1,1,0]=4 716 B9R1.12 CSCSc1cnsc1 62a_100009815736_100011218213 [0,2,0,0,0,0|1,1,0]=4 717 B9R1.12 CSCSc1cnsc1 62a_100011218213_100009815736 [0,2,0,0,0,0|1,1,0]=4 718 B9R1.12 FCCSc1c[nH]nn1 62a_100009819707_100011217306 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.12 FCCSc1c[nH]nn1 62a_100011217306_100009819707 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.12 FCCSc1cn[nH]c1 62a_100000238712_100011217306 [0,2,0,0,0,0|1,0,0]=3 721 B9R1.12 FCCSc1cn[nH]c1 62a_100011217306_100000238712 [0,2,0,0,0,0|1,0,0]=3 722 B9R1.12 FCCSc1cnoc1 62a_100009815712_100011217306 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.12 FCCSc1cnoc1 62a_100011217306_100009815712 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.12 FCCSc1cnsc1 62a_100009815736_100011217306 [0,2,0,0,0,0|2,0,0]=4 725 B9R1.12 FCCSc1cnsc1 62a_100011217306_100009815736 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.12 N#CCSc1c[nH]nn1 62a_100009819707_100011215382 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.12 N#CCSc1c[nH]nn1 62a_100011215382_100009819707 [0,2,0,0,0,0|2,0,0]=4 731 B9R1.12 N#CCSc1cn[nH]c1 62a_100000238712_100011215382 [0,2,0,0,0,0|1,0,0]=3 732 B9R1.12 N#CCSc1cn[nH]c1 62a_100011215382_100000238712 [0,2,0,0,0,0|1,0,0]=3 733 B9R1.12 N#CCSc1cnoc1 62a_100009815712_100011215382 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.12 N#CCSc1cnoc1 62a_100011215382_100009815712 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.12 N#CCSc1cnsc1 62a_100009815736_100011215382 [0,2,0,0,0,0|2,0,0]=4 736 B9R1.12 N#CCSc1cnsc1 62a_100011215382_100009815736 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.12 O=CCSc1c[nH]nn1 62a_100009819707_200015260668 [0,2,0,0,0,0|1,0,1]=4 738 B9R1.12 O=CCSc1c[nH]nn1 62a_200015260668_100009819707 [0,2,0,0,0,0|1,0,1]=4 739 B9R1.12 O=CCSc1cn[nH]c1 62a_100000238712_200015260668 [0,2,0,0,0,0|0,0,1]=3 740 B9R1.12 O=CCSc1cn[nH]c1 62a_200015260668_100000238712 [0,2,0,0,0,0|0,0,1]=3 741 B9R1.12 O=CCSc1cnoc1 62a_100009815712_200015260668 [0,2,0,0,0,0|1,0,1]=4 742 B9R1.12 O=CCSc1cnoc1 62a_200015260668_100009815712 [0,2,0,0,0,0|1,0,1]=4 743 B9R1.12 O=CCSc1cnsc1 62a_100009815736_200015260668 [0,2,0,0,0,0|1,0,1]=4 744 B9R1.12 O=CCSc1cnsc1 62a_200015260668_100009815736 [0,2,0,0,0,0|1,0,1]=4 745 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.12 OCCSc1c[nH]nn1 62a_100000211926_100009819707 [0,2,0,0,0,0|1,0,0]=3 750 B9R1.12 OCCSc1c[nH]nn1 62a_100009819707_100000211926 [0,2,0,0,0,0|1,0,0]=3 751 B9R1.12 OCCSc1cc[nH]n1 62a_100000062575_100000211926 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.12 OCCSc1cc[nH]n1 62a_100000211926_100000062575 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,2,0,0,0,0|2,0,0]=4 755 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.12 OCCSc1cn[nH]c1 62a_100000211926_100000238712 [0,2,0,0,0,0|0,0,0]=2 758 B9R1.12 OCCSc1cn[nH]c1 62a_100000238712_100000211926 [0,2,0,0,0,0|0,0,0]=2 759 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,2,0,0,0,0|2,0,0]=4 763 B9R1.12 OCCSc1cnoc1 62a_100000211926_100009815712 [0,2,0,0,0,0|1,0,0]=3 764 B9R1.12 OCCSc1cnoc1 62a_100009815712_100000211926 [0,2,0,0,0,0|1,0,0]=3 765 B9R1.12 OCCSc1cnsc1 62a_100000211926_100009815736 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.12 OCCSc1cnsc1 62a_100009815736_100000211926 [0,2,0,0,0,0|1,0,0]=3 767 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [0,2,0,0,0,0|1,0,0]=3 768 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.12 [13CH3]OCCc1cn[nH]c1 34a_100000766553_200025704644 [0,2,0,0,0,0|0,0,0]=2 770 B9R1.12 [13CH3]OCCc1cnoc1 34a_100000732699_200025704644 [0,2,0,0,0,0|1,0,0]=3 771 B9R1.12 [13CH3]OCCn1ccnc1 34a_100000719764_200025704644 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.12 [13CH3]OCCn1cnnc1 34a_200011637517_200025704644 [0,2,0,0,0,0|1,0,1]=4 773 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_100000743252_200025704644 [0,2,0,0,0,0|0,1,0]=3 774 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_200025704644_100000743252 [0,2,0,0,0,0|0,1,0]=3 775 B9R1.13 CC(=Cc1cn[nH]c1)C 271570a_100102525489_100000238712 [0,2,0,0,0,0|1,0,1]=4 776 B9R1.13 CC(C)Sc1c[nH]nn1 62a_100000210206_100009819707 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.13 CC(C)Sc1c[nH]nn1 62a_100009819707_100000210206 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000210206_100000238712 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000238712_100000210206 [0,2,0,0,0,0|1,0,0]=3 780 B9R1.13 CC(C)Sc1cnoc1 62a_100000210206_100009815712 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.13 CC(C)Sc1cnoc1 62a_100009815712_100000210206 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.13 CC(C)Sc1cnsc1 62a_100000210206_100009815736 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.13 CC(C)Sc1cnsc1 62a_100009815736_100000210206 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.13 CN(C)Cc1cn[nH]c1 270004a_100102631434_100016992096 [0,2,0,0,0,0|1,0,0]=3 785 B9R1.33 C=C=Cc1c[nH]nc1Br 271570a_100015277604_100011012988 [0,2,0,0,0,0|1,0,1]=4 786 B9R1.33 C=C=Cc1c[nH]nc1C 271570a_100015277604_100011912673 [0,2,0,0,0,0|1,0,1]=4 787 B9R1.33 C=C=Cc1c[nH]nc1F 271570a_100015277604_100015597042 [0,2,0,0,0,0|1,0,1]=4 788 B9R1.33 C=C=Cc1c[nH]nc1N 271570a_100015277604_100000717100 [0,2,0,0,0,0|1,0,1]=4 789 B9R1.33 CC=Cc1c[nH]nc1Br 271570a_100016259895_100011012988 [0,2,0,0,0,0|1,0,1]=4 790 B9R1.33 CC=Cc1c[nH]nc1C 271570a_100016259895_100011912673 [0,2,0,0,0,0|1,0,1]=4 791 B9R1.33 CC=Cc1c[nH]nc1F 271570a_100016259895_100015597042 [0,2,0,0,0,0|1,0,1]=4 792 B9R1.33 CC=Cc1c[nH]nc1N 271570a_100016259895_100000717100 [0,2,0,0,0,0|1,0,1]=4 793 B9R1.33 CCSc1c[nH]nc1Br 62a_100000210202_100011012988 [0,2,0,0,0,0|1,0,0]=3 794 B9R1.33 CCSc1c[nH]nc1Br 62a_100011012988_100000210202 [0,2,0,0,0,0|1,0,0]=3 795 B9R1.33 CCSc1c[nH]nc1C 62a_100000210202_100000692133 [0,2,0,0,0,0|1,0,0]=3 796 B9R1.33 CCSc1c[nH]nc1C 62a_100000692133_100000210202 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.33 CCSc1c[nH]nc1F 62a_100000210202_100015597042 [0,2,0,0,0,0|1,0,0]=3 798 B9R1.33 CCSc1c[nH]nc1F 62a_100015597042_100000210202 [0,2,0,0,0,0|1,0,0]=3 799 B9R1.33 CCSc1c[nH]nc1N 62a_100000210202_100000717100 [0,2,0,0,0,0|1,0,0]=3 800 B9R1.33 CCSc1c[nH]nc1N 62a_100000717100_100000210202 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.33 CCSc1cnoc1C 62a_100000210202_100009872056 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.33 CCSc1cnoc1C 62a_100009872056_100000210202 [0,2,0,0,0,0|2,0,0]=4 803 B9R1.33 CCSc1conc1N 62a_100000210202_100012597345 [0,2,0,0,0,0|2,0,0]=4 804 B9R1.33 CCSc1conc1N 62a_100012597345_100000210202 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.33 CNCc1c[nH]nc1C 207a_100102657272_100000737037 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,2,0,0,0,0|2,0,0]=4 807 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,2,0,0,0,0|2,0,0]=4 808 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,2,0,0,0,0|2,0,0]=4 811 B9R1.33 COCc1ccsc1Br 34a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.33 COCc1ccsc1Br 34a_100138415774_100009814289 [0,2,0,0,0,0|2,0,0]=4 813 B9R1.33 COCc1ccsc1Br 7a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 814 B9R1.33 COCc1ccsc1Cl 34a_100138415774_100010167017 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.33 COCc1cscc1Br 34a_100000724555_200000210301 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.33 COCc1nonc1C 34a_100138415774_200000044682 [0,2,0,0,0,0|2,0,0]=4 817 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [0,2,0,0,0,0|2,0,0]=4 819 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.33 COCc1snnc1C 34a_100138415774_100000732739 [0,2,0,0,0,0|1,0,1]=4 824 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [0,2,0,0,0,0|2,0,0]=4 825 B9R1.33 Cc1n[nH]cc1SCF 62a_100000692133_100015361967 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.33 Cc1n[nH]cc1SCF 62a_100015361967_100000692133 [0,2,0,0,0,0|1,0,0]=3 827 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [0,2,0,0,0,0|2,0,0]=4 828 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [0,2,0,0,0,0|2,0,0]=4 831 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,2,0,0,0,0|2,0,0]=4 832 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.33 Cc1oncc1SCF 62a_100009872056_100015361967 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.33 Cc1oncc1SCF 62a_100015361967_100009872056 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.33 FCSc1c[nH]nc1Br 62a_100011012988_100015361967 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.33 FCSc1c[nH]nc1Br 62a_100015361967_100011012988 [0,2,0,0,0,0|1,0,0]=3 838 B9R1.33 FCSc1c[nH]nc1F 62a_100015361967_100015597042 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.33 FCSc1c[nH]nc1F 62a_100015597042_100015361967 [0,2,0,0,0,0|1,0,0]=3 840 B9R1.33 Nc1n[nH]cc1SCF 62a_100000717100_100015361967 [0,2,0,0,0,0|1,0,0]=3 841 B9R1.33 Nc1n[nH]cc1SCF 62a_100015361967_100000717100 [0,2,0,0,0,0|1,0,0]=3 842 B9R1.33 Nc1nocc1SCF 62a_100012597345_100015361967 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.33 Nc1nocc1SCF 62a_100015361967_100012597345 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.33 [13CH3]OCc1ccsc1Br 34a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 846 B9R1.33 [13CH3]OCc1ccsc1Br 7a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 847 B9R1.33 [13CH3]OCc1cscc1Br 34a_100000724555_200025704644 [0,2,0,0,0,0|2,0,0]=4 848 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [0,2,0,0,0,0|2,0,0]=4 849 B9R1.14 C=Cc1[nH]ncc1C#N 271570a_100011290941_100010888374 [0,2,0,0,0,0|1,0,1]=4 850 B9R1.14 C=Cc1c[nH]nc1C#N 271570a_100011290941_100009813407 [0,2,0,0,0,0|1,0,1]=4 851 B9R1.14 C=Cc1c[nH]nc1OC 271570a_100011290941_100010982843 [0,2,0,0,0,0|1,0,1]=4 852 B9R1.14 C=Cc1cscc1CO 271570a_100011290941_100000724555 [0,2,0,0,0,0|2,0,0]=4 853 B9R1.14 C=Cc1ncsc1CO 271570a_100011290941_100012000948 [0,2,0,0,0,0|2,0,0]=4 854 B9R1.14 C=Cc1sccc1CO 271570a_100011290941_100009816922 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.14 COc1[nH]ncc1SC 62a_100010349828_200000210301 [0,2,0,0,0,0|2,0,0]=4 856 B9R1.14 COc1[nH]ncc1S[13CH3] 62a_100010349828_200025704644 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [0,2,0,0,0,0|2,0,0]=4 859 B9R1.14 CSc1[nH]ncc1C#N 62a_200000210301_100010888374 [0,2,0,0,0,0|1,0,1]=4 860 B9R1.14 CSc1c[nH]nc1C#N 62a_200000210301_100009813407 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.14 CSc1cn[nH]c1C=O 62a_100000732679_200000210301 [0,2,0,0,0,0|2,0,0]=4 862 B9R1.14 CSc1cn[nH]c1C=O 62a_200000210301_100000732679 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.14 CSc1cscc1CO 62a_100000724555_200000210301 [0,2,0,0,0,0|2,0,0]=4 864 B9R1.14 CSc1cscc1CO 62a_200000210301_100000724555 [0,2,0,0,0,0|2,0,0]=4 865 B9R1.14 CSc1ncsc1CO 62a_100012000948_200000210301 [0,2,0,0,0,0|2,0,0]=4 866 B9R1.14 CSc1ncsc1CO 62a_200000210301_100012000948 [0,2,0,0,0,0|2,0,0]=4 867 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 868 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [0,2,0,0,0,0|2,0,0]=4 869 B9R1.14 [13CH3]Sc1[nH]ncc1C#N 62a_200025704644_100010888374 [0,2,0,0,0,0|1,0,1]=4 870 B9R1.14 [13CH3]Sc1c[nH]nc1C#N 62a_200025704644_100009813407 [0,2,0,0,0,0|2,0,0]=4 871 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_100000732679_200025704644 [0,2,0,0,0,0|2,0,0]=4 872 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_200025704644_100000732679 [0,2,0,0,0,0|2,0,0]=4 873 B9R1.14 [13CH3]Sc1cscc1CO 62a_100000724555_200025704644 [0,2,0,0,0,0|2,0,0]=4 874 B9R1.14 [13CH3]Sc1cscc1CO 62a_200025704644_100000724555 [0,2,0,0,0,0|2,0,0]=4 875 B9R1.14 [13CH3]Sc1ncsc1CO 62a_100012000948_200025704644 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.14 [13CH3]Sc1ncsc1CO 62a_200025704644_100012000948 [0,2,0,0,0,0|2,0,0]=4 877 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 878 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [0,2,0,0,0,0|2,0,0]=4 879 B9R1.27 C=Cc1c(n[nH]c1C)C 271570a_100011290941_100000238710 [0,2,0,0,0,0|1,0,1]=4 880 B9R1.27 C=Cc1c(n[nH]c1N)C 271570a_100011290941_100000182022 [0,2,0,0,0,0|1,0,1]=4 881 B9R1.27 COc1c(n[nH]c1C)C 34a_100012186652_200000210301 [0,2,0,0,0,0|2,0,0]=4 882 B9R1.27 CSc1c(n[nH]c1C)C 62a_100000238710_200000210301 [0,2,0,0,0,0|2,0,0]=4 883 B9R1.27 CSc1c(n[nH]c1C)C 62a_200000210301_100000238710 [0,2,0,0,0,0|2,0,0]=4 884 B9R1.27 CSc1c(n[nH]c1N)C 62a_100000182022_200000210301 [0,2,0,0,0,0|2,0,0]=4 885 B9R1.27 CSc1c(n[nH]c1N)C 62a_200000210301_100000182022 [0,2,0,0,0,0|2,0,0]=4 886 B9R1.27 Cc1n[nH]c(c1O[13CH3])C 34a_100012186652_200025704644 [0,2,0,0,0,0|2,0,0]=4 887 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_100000238710_200025704644 [0,2,0,0,0,0|2,0,0]=4 888 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_200025704644_100000238710 [0,2,0,0,0,0|2,0,0]=4 889 B9R1.27 Cc1n[nH]c(c1S[13CH3])N 62a_100000182022_200025704644 [0,2,0,0,0,0|2,0,0]=4 890 B9R1.27 Cc1n[nH]c(c1S[13CH3])N 62a_200025704644_100000182022 [0,2,0,0,0,0|2,0,0]=4 891 B9R1.27 Cn1ncc(c1CO)O 271570a_203496583355_100012039568 [0,2,0,0,0,0|2,0,0]=4 892 B9R1.27 N#Cc1c(n[nH]c1N)O 271570a_203496583355_100010590786 [0,2,0,0,0,0|1,0,1]=4 893 B9R2.2 c1n[nH]cc1C2CC2 271570a_100011220607_100000238712 [0,1,0,1,0,0|1,0,0]=3 894 B9R2.2 c1nocc1C2CC2 271570a_100011220607_100009815712 [0,1,0,1,0,0|2,0,0]=4 895 B9R2.2 c1nscc1C2CC2 271570a_100011220607_100009815736 [0,1,0,1,0,0|2,0,0]=4