0 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [0,0,0,0,0,0|1,1,0]=2 4 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.1 C=Cc1cnoc1 271570a_100011290941_100009815712 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [0,0,0,0,0,0|2,1,0]=3 17 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [0,0,0,0,0,0|3,1,0]=4 18 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [0,0,0,0,0,0|3,1,0]=4 19 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,0,0,0,0,0|2,1,0]=3 28 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,0,0,0,0,0|2,1,0]=3 29 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,0,0,0,0,0|3,1,0]=4 40 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,0,0,0,0,0|3,1,0]=4 41 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,0,0,0,0,0|3,1,0]=4 48 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,0,0,0,0,0|3,1,0]=4 49 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,0,0,0,0,0|4,0,0]=4 53 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,0,0,0,0,0|2,0,0]=2 56 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,0,0,0,0,0|2,0,0]=2 57 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,0,0,0,0,0|2,1,0]=3 58 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,0,0,0,0,0|2,1,0]=3 59 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,0,0,0,0,0|4,0,0]=4 63 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,0,0,0,0,0|4,0,0]=4 65 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,0,0,0,0,0|4,0,0]=4 67 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,0,0,0,0,0|3,0,0]=3 69 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,0,0,0,0,0|3,1,0]=4 70 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,0,0,0,0,0|3,1,0]=4 71 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,0,0,0,0,0|4,0,0]=4 73 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,0,0,0,0,0|4,0,0]=4 74 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,0,0,0,0,0|4,0,0]=4 75 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,0,0,0,0,0|3,1,0]=4 78 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,0,0,0,0,0|3,1,0]=4 79 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|2,0,1]=4 80 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|2,0,1]=4 81 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|0,0,1]=2 82 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|0,1,1]=3 83 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|2,0,1]=4 84 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|2,0,1]=4 85 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|1,0,1]=3 87 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|1,1,1]=4 88 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|2,0,1]=4 89 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|2,0,1]=4 90 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|1,0,1]=3 91 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|1,1,1]=4 92 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.1 C=Cc1cc([nH]n1)N 271570a_100011290941_100009822546 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,1,0,0,0,0|1,1,0]=3 96 B8R1.1 C=Cc1cc(n[nH]1)Br 271570a_100011290941_100160470719 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [0,1,0,0,0,0|2,1,0]=4 98 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,1,0,0,0,0|1,1,0]=3 99 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.1 C=Cc1ccn(n1)C 271570a_100011290941_100000752436 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.1 C=Cc1cn(cn1)C 271570a_100011290941_100000040308 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [0,1,0,0,0,0|2,1,0]=4 103 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 C=Cc1csc(n1)N 271570a_100011290941_100011998049 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 C=Cc1nc(cs1)Br 271570a_100011290941_200016082925 [0,1,0,0,0,0|2,1,0]=4 108 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [0,1,0,0,0,0|2,1,0]=4 109 B8R1.1 C=Cc1nc(cs1)N 271570a_100011290941_200015188442 [0,1,0,0,0,0|2,1,0]=4 110 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,1,0,0,0,0|2,1,0]=4 111 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 C=Cn1cc(cn1)O 271570a_203496583355_100009816630 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,0,0,0|1,1,1]=4 114 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,0,0,0|1,1,1]=4 115 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,0,0,0|2,1,0]=4 116 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,0,0,0|2,1,0]=4 117 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,1,0,0,0,0|2,1,0]=4 118 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,1,0,0,0,0|2,1,0]=4 119 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,1,0,0,0,0|2,1,0]=4 120 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,0,0,0|2,1,0]=4 121 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,0,0,0|2,1,0]=4 122 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,0,0,0|2,1,0]=4 123 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,0,0,0|2,1,0]=4 124 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,0,0,0|2,1,0]=4 125 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,0,0,0|2,1,0]=4 126 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [0,1,0,0,0,0|2,0,1]=4 127 B8R1.1 N#Cc1cc(cs1)O 271570a_203496583355_100000742465 [0,1,0,0,0,0|1,1,1]=4 128 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,1,0,0,0,0|1,0,1]=3 129 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,1,0,0,0,0|1,1,1]=4 130 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,0,0,0|1,0,1]=3 131 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,1,0,0,0,0|1,1,1]=4 132 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [0,1,0,0,0,0|0,1,0]=2 135 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,0,0,0|0,0,0]=1 136 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,1,0,0,0,0|0,1,0]=2 137 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [0,1,0,0,0,0|1,1,0]=3 138 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [0,1,0,0,0,0|1,1,0]=3 141 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [0,1,0,0,0,0|1,1,0]=3 142 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,1,0,0,0,0|0,1,2]=4 143 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,0,0,0|0,0,2]=3 144 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,1,0,0,0,0|0,1,2]=4 145 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,1,0,0,0,0|2,1,0]=4 146 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,1,0,0,0,0|2,1,0]=4 147 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,1,0,0,0,0|1,1,0]=3 151 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,1,0,0,0,0|2,1,0]=4 156 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,1,0,0,0,0|2,1,0]=4 160 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,0,0,0|1,0,2]=4 164 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,0,0,0|2,0,1]=4 169 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,0,0,0|1,0,2]=4 170 B8R1.8 C=C=Cc1c[nH]cn1 271570a_100015277604_100000756875 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.8 C=C=Cc1cc[nH]n1 271570a_100015277604_100000062575 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [0,1,0,0,0,0|1,1,0]=3 174 B8R1.8 C=C=Cc1ccoc1 271570a_100015277604_100011215275 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.8 C=C=Cc1ccsc1 271570a_100015277604_100000738268 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.8 C=C=Cc1ccsn1 271570a_100015277604_100009818082 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.8 C=C=Cc1cncs1 271570a_100015277604_100011934649 [0,1,0,0,0,0|2,1,0]=4 179 B8R1.8 C=C=Cc1cscn1 271570a_100015277604_100000751502 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [0,1,0,0,0,0|2,1,0]=4 183 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,1,0,0,0,0|1,1,0]=3 187 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,1,0,0,0,0|2,1,0]=4 192 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [0,1,0,0,0,0|2,1,0]=4 196 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,1,0,0,0,0|1,0,1]=3 198 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,1,0,0,0,0|1,1,1]=4 199 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,1,0,0,0,0|1,1,1]=4 200 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,1,0,0,0,0|1,0,1]=3 205 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,1,0,0,0,0|1,0,1]=3 207 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,1,0,0,0,0|1,0,1]=3 208 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,1,0,0,0,0|1,1,1]=4 209 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,1,0,0,0,0|1,1,1]=4 210 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,1,0,0,0,0|1,1,1]=4 211 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [0,1,0,0,0,0|2,0,1]=4 217 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,1,0,0,0,0|0,0,2]=3 218 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,1,0,0,0,0|0,1,2]=4 219 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,1,0,0,0,0|1,0,2]=4 220 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [0,1,0,0,0,0|1,0,2]=4 221 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [0,1,0,0,0,0|1,0,2]=4 222 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,1,0,0,0,0|1,1,1]=4 223 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,1,0,0,0,0|1,1,1]=4 224 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,1,0,0,0,0|1,0,1]=3 226 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,1,0,0,0,0|1,1,1]=4 227 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,1,0,0,0,0|1,1,1]=4 228 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,1,0,0,0,0|2,0,1]=4 229 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [0,1,0,0,0,0|2,0,1]=4 231 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [0,1,0,0,0,0|2,0,1]=4 232 B8R1.8 O=CCN1CC=CC1 269982a_100015195280_200015260668 [0,1,0,0,0,0|2,0,1]=4 233 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,1,0,0,0,0|1,0,1]=3 234 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,1,0,0,0,0|1,0,1]=3 235 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,1,0,0,0,0|1,1,1]=4 236 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [0,1,0,0,0,0|2,0,1]=4 237 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,1,0,0,0,0|0,0,2]=3 238 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,1,0,0,0,0|0,1,2]=4 239 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,1,0,0,0,0|1,0,2]=4 240 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [0,1,0,0,0,0|1,0,2]=4 241 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,1,0,0,0,0|1,1,1]=4 242 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,1,0,0,0,0|1,1,1]=4 243 B8R1.11 C=Cc1[nH]cnc1Cl 271570a_100011290941_100010200774 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.11 C=Cc1cscc1Br 271570a_100011290941_100010143727 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.11 C=Cc1n[nH]cc1Br 271570a_100011290941_100015839836 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.11 C=Cc1n[nH]cc1N 271570a_100011290941_100010894806 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.11 C=Cc1nc[nH]c1C 271570a_100011290941_100009816806 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [0,1,0,0,0,0|1,1,0]=3 256 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,1,0,0,0,0|1,1,0]=3 257 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [0,1,0,0,0,0|2,1,0]=4 258 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,1,0,0,0,0|2,1,0]=4 259 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,1,0,0,0,0|2,1,0]=4 260 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,0,0,0|2,1,0]=4 261 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,0,0,0|2,1,0]=4 262 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,0,0,0|2,1,0]=4 263 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,0,0,0|2,1,0]=4 264 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,0,0,0|2,1,0]=4 265 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [0,1,0,0,0,0|1,1,1]=4 266 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,1,0,0,0,0|0,0,0]=1 269 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,1,0,0,0,0|0,1,0]=2 270 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,0,0,0|0,1,2]=4 271 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,1,0,0,0,0|2,1,0]=4 272 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,1,0,0,0,0|2,1,0]=4 273 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,0,1,0,0,0|1,0,2]=4 274 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,0,1,0,0,0|1,0,2]=4 275 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [0,0,1,0,0,0|1,0,2]=4 276 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,0,1,0,0,0|0,0,2]=3 277 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,0,1,0,0,0|0,1,2]=4 278 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,0,1,0,0,0|0,1,2]=4 279 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,0,1,0,0,0|1,0,2]=4 280 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,0,1,0,0,0|1,0,2]=4 281 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,0,1,0,0,0|1,0,2]=4 282 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [0,0,0,0,0,1|2,0,0]=3 283 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [0,0,0,0,0,1|2,0,0]=3 284 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,0,0,0,0,1|2,0,0]=3 285 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [0,0,0,0,0,1|2,0,0]=3 286 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [0,0,0,0,0,1|2,0,0]=3 287 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,0,0,0,0,1|2,0,0]=3 288 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,0,0,0,0,1|2,0,0]=3 290 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,0,0,0,0,1|3,0,0]=4 294 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,0,0,0,0,1|3,0,0]=4 311 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,0,0,0,0,1|3,0,0]=4 314 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,0,0,0,0,1|3,0,0]=4 315 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,0,0,0,0,1|3,0,0]=4 316 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [0,0,0,0,0,1|3,0,0]=4 317 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [0,0,0,0,0,1|3,0,0]=4 318 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,0,0,0,0,1|3,0,0]=4 319 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,0,0,0,0,1|3,0,0]=4 320 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,0,0,0,0,1|3,0,0]=4 327 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,0,0,0,0,1|3,0,0]=4 329 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,0,0,0,0,1|3,0,0]=4 333 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,0,0,0,0,1|3,0,0]=4 336 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,0,0,0,0,1|3,0,0]=4 338 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [0,0,0,0,0,1|3,0,0]=4 339 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [0,0,0,0,0,1|3,0,0]=4 340 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|1,0,1]=4 341 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|1,0,1]=4 342 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|1,0,1]=4 343 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|2,0,0]=4 344 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|2,0,0]=4 345 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|2,0,0]=4 346 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|1,0,1]=4 347 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|1,0,1]=4 348 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|2,0,0]=4 349 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|2,0,0]=4 350 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|2,0,0]=4 351 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,0,1]=4 352 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,1,0,0,0|2,0,0]=4 353 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|1,0,1]=4 354 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|1,0,1]=4 355 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,1,1,0,0,0|1,0,1]=4 356 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,1,1,0,0,0|1,0,1]=4 357 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,1,1,0,0,0|0,0,2]=4 358 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,1,0,0,0|0,0,2]=4 359 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,1,1,0,0,0|1,0,1]=4 360 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,1,1,0,0,0|1,0,1]=4 361 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,1,1,0,0,0|1,0,1]=4 362 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,1,0,0,0|1,0,0]=3 363 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,1,0,0,0|1,0,0]=3 364 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,1,0,0,0|0,0,2]=4 365 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,1,1,0,0,0|0,0,2]=4 366 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,1,0,0,0|0,0,2]=4 367 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,1,0,0,0|0,0,2]=4 368 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,1,0,0,0|0,0,2]=4 369 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,1,0,0,0,0|0,1,1]=4 370 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,1,0,0,0,0|0,1,1]=4 371 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|0,1,1]=4 372 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,1,0,0,0,0|0,1,1]=4 373 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,1,0,0,0,0|0,1,1]=4 374 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,1,0,0,0,0|1,0,1]=4 375 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,1,0,0,0,0|0,1,1]=4 376 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [1,1,0,0,0,0|0,1,1]=4 377 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.1 C=Cc1ccc(=O)[nH]n1 271570a_100011290941_100009820020 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.1 C=Cc1ccc(nn1)N 271570a_100011290941_100009816609 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 C=Cc1cnc(cn1)F 271570a_100011290941_100009856528 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 C=Cc1cnc(cn1)N 271570a_100011290941_100000761932 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.1 C=Cc1ncc(cn1)Br 271570a_100011290941_100000690281 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 C=Cc1ncc(cn1)Cl 271570a_100011290941_100011356929 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 C=Cc1ncc(cn1)F 271570a_100011290941_100000685220 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 C=Cc1ncc(cn1)N 271570a_100011290941_100000068403 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 C=Cc1ncc(cn1)O 271570a_100011290941_100000730009 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [0,1,0,0,0,1|1,0,0]=3 410 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [0,1,0,0,0,1|1,0,0]=3 411 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 C=Cc1c[n+](ccn1)[O-] 271570a_100011290941_100009880115 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 C=Cc1cc(cnn1)O 271570a_100011290941_200010734679 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 C=Cc1cc(ncn1)F 271570a_100011290941_200009880791 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 C=Cc1cc(ncn1)N 271570a_100011290941_100000701291 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 C=Cc1cc(ncn1)O 271570a_100011290941_100000765262 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 C=Cc1ccnc(n1)N 271570a_100011290941_100009820717 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.2 C=Cc1cncc(n1)F 271570a_100011290941_200009863489 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 C=Cc1cncc(n1)N 271570a_100011290941_100009819714 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.2 C=Cc1nccc(n1)N 271570a_100011290941_100000757536 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.2 C=Cc1nccc(n1)O 271570a_100011290941_100011649813 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [0,1,0,0,0,1|1,0,0]=3 463 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,1,0,0,0,1|0,0,2]=4 476 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,1,0,0,0,1|0,0,2]=4 477 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,1,0,0,0,1|1,0,0]=3 478 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,1,0,0,0,1|0,0,2]=4 479 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,1,0,0,0,1|0,0,2]=4 480 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,1,0,0,0,1|1,0,0]=3 481 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.8 C=C=Cc1cccnn1 271570a_100015277604_100016991348 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.8 C=C=Cc1ccncn1 271570a_100015277604_100000703185 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.8 C=C=Cc1cnccn1 271570a_100015277604_100000758340 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.8 C=C=Cc1ncccn1 271570a_100015277604_100000211032 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.15 C=Cc1ncc[nH]c1=O 271570a_100011290941_100000763361 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.15 C=Cc1nccnc1F 271570a_100011290941_200010125657 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.15 C=Cc1nccnc1N 271570a_100011290941_100000747729 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.15 C=Cc1ncncc1C 271570a_100011290941_100011998708 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.15 C=Cc1ncncc1F 271570a_100011290941_100000069762 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.15 C=Cc1ncncc1N 271570a_100011290941_100000709731 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.15 C=Cc1nnccc1C 271570a_100011290941_100000089043 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [0,1,0,0,0,1|1,0,0]=3 542 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [0,1,0,0,0,1|1,0,0]=3 545 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [0,1,0,0,0,1|1,0,0]=3 546 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.7 C=C=Cc1cc(cs1)C 271570a_100015277604_100009876951 [0,2,0,0,0,0|1,1,0]=4 550 B9R1.7 C=C=Cc1ccc(s1)Br 271570a_100015277604_100010197418 [0,2,0,0,0,0|1,1,0]=4 551 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [0,2,0,0,0,0|1,1,0]=4 552 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,2,0,0,0,0|1,1,0]=4 553 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,2,0,0,0,0|1,1,0]=4 554 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,2,0,0,0,0|1,1,0]=4 555 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,2,0,0,0,0|1,0,1]=4 559 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,2,0,0,0,0|1,0,1]=4 561 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,2,0,0,0,0|1,0,1]=4 562 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,2,0,0,0,0|1,0,1]=4 563 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,2,0,0,0,0|1,0,1]=4 564 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,2,0,0,0,0|1,0,1]=4 565 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,2,0,0,0,0|1,0,1]=4 566 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,2,0,0,0,0|0,0,2]=4 567 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,2,0,0,0,0|0,0,2]=4 568 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,2,0,0,0,0|0,0,2]=4 569 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,2,0,0,0,0|0,0,2]=4 570 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,2,0,0,0,0|1,0,1]=4 571 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,2,0,0,0,0|0,0,2]=4 572 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,2,0,0,0,0|0,0,2]=4 573 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,2,0,0,0,0|1,0,1]=4 574 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,2,0,0,0,0|0,0,2]=4 575 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,2,0,0,0,0|0,0,2]=4 576 B9R1.21 C=Cc1cc(c[nH]1)C=O 271570a_100011290941_100009882863 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.21 C=Cc1cc(cs1)C=O 271570a_100011290941_100000737087 [0,2,0,0,0,0|1,1,0]=4 578 B9R1.21 C=Cc1ccc(o1)C#N 271570a_100011290941_100000764468 [0,2,0,0,0,0|1,0,0]=3 579 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,2,0,0,0,0|0,0,0]=2 580 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,2,0,0,0,0|1,0,0]=3 581 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.21 C=Cc1ccc(s1)C#N 271570a_100011290941_100000737243 [0,2,0,0,0,0|1,1,0]=4 583 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [0,2,0,0,0,0|0,1,0]=3 584 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,2,0,0,0,0|1,1,0]=4 585 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,2,0,0,0,0|1,1,0]=4 586 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,2,0,0,0,0|1,1,0]=4 587 B9R1.21 C=Cc1cnc(s1)C=O 271570a_100011290941_100000699580 [0,2,0,0,0,0|1,1,0]=4 588 B9R1.21 C=Cc1coc(c1)C=O 271570a_100011290941_100000747035 [0,2,0,0,0,0|0,0,0]=2 589 B9R1.21 C=Cc1csc(c1)C=O 271570a_100011290941_100000211722 [0,2,0,0,0,0|0,1,0]=3 590 B9R1.21 C=Cc1csc(n1)C=O 271570a_100011290941_100009816814 [0,2,0,0,0,0|1,1,0]=4 591 B9R1.21 C=Cc1nc(cs1)C=O 271570a_100011290941_100009816748 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.21 C=Cc1ncc(s1)C=O 271570a_100011290941_100009814069 [0,2,0,0,0,0|1,1,0]=4 593 B9R1.21 CNc1ncc(s1)C=O 27a_100102657272_100009814069 [0,2,0,0,0,0|1,1,0]=4 594 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.21 CSc1cc(on1)C=O 62a_100009819588_200000210301 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.21 CSc1cc(on1)C=O 62a_200000210301_100009819588 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.21 CSc1ccc(o1)C#N 62a_200000210301_100000764468 [0,2,0,0,0,0|1,0,1]=4 604 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,2,0,0,0,0|0,0,0]=2 605 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,2,0,0,0,0|0,0,2]=4 607 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,2,0,0,0,0|0,0,2]=4 608 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,2,0,0,0,0|0,1,0]=3 609 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,2,0,0,0,0|0,1,0]=3 610 B9R1.21 CSc1cnc(s1)C=O 62a_100000699580_200000210301 [0,2,0,0,0,0|1,1,0]=4 611 B9R1.21 CSc1cnc(s1)C=O 62a_200000210301_100000699580 [0,2,0,0,0,0|1,1,0]=4 612 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,2,0,0,0,0|0,0,0]=2 613 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,2,0,0,0,0|0,0,0]=2 614 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [0,2,0,0,0,0|0,1,0]=3 615 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [0,2,0,0,0,0|0,1,0]=3 616 B9R1.21 CSc1csc(n1)C=O 62a_100009816814_200000210301 [0,2,0,0,0,0|1,1,0]=4 617 B9R1.21 CSc1csc(n1)C=O 62a_200000210301_100009816814 [0,2,0,0,0,0|1,1,0]=4 618 B9R1.21 CSc1nc(cs1)C=O 62a_100009816748_200000210301 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.21 CSc1nc(cs1)C=O 62a_200000210301_100009816748 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.21 CSc1ncc(s1)C=O 62a_100009814069_200000210301 [0,2,0,0,0,0|1,1,0]=4 621 B9R1.21 CSc1ncc(s1)C=O 62a_200000210301_100009814069 [0,2,0,0,0,0|1,1,0]=4 622 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [0,2,0,0,0,0|1,0,0]=3 623 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_100009819588_200025704644 [0,2,0,0,0,0|1,0,0]=3 629 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_200025704644_100009819588 [0,2,0,0,0,0|1,0,0]=3 630 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,2,0,0,0,0|1,0,0]=3 631 B9R1.21 [13CH3]Sc1ccc(o1)C#N 62a_200025704644_100000764468 [0,2,0,0,0,0|1,0,1]=4 632 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,2,0,0,0,0|0,0,0]=2 633 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,2,0,0,0,0|1,0,1]=4 634 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,2,0,0,0,0|0,0,2]=4 635 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,2,0,0,0,0|0,0,2]=4 636 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,2,0,0,0,0|0,1,0]=3 637 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,2,0,0,0,0|0,1,0]=3 638 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_100000699580_200025704644 [0,2,0,0,0,0|1,1,0]=4 639 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_200025704644_100000699580 [0,2,0,0,0,0|1,1,0]=4 640 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,2,0,0,0,0|0,0,0]=2 641 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,2,0,0,0,0|0,0,0]=2 642 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [0,2,0,0,0,0|0,1,0]=3 643 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [0,2,0,0,0,0|0,1,0]=3 644 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_100009816814_200025704644 [0,2,0,0,0,0|1,1,0]=4 645 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_200025704644_100009816814 [0,2,0,0,0,0|1,1,0]=4 646 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_100009816748_200025704644 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_200025704644_100009816748 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_100009814069_200025704644 [0,2,0,0,0,0|1,1,0]=4 649 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_200025704644_100009814069 [0,2,0,0,0,0|1,1,0]=4 650 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [0,2,0,0,0,0|1,1,0]=4 651 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [0,2,0,0,0,0|0,1,0]=3 652 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,2,0,0,0,0|0,1,0]=3 653 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [0,2,0,0,0,0|1,1,0]=4 654 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,2,0,0,0,0|1,1,0]=4 656 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [0,2,0,0,0,0|0,1,0]=3 657 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,2,0,0,0,0|0,1,0]=3 658 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,2,0,0,0,0|1,1,0]=4 659 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,2,0,0,0,0|1,1,0]=4 660 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,2,0,0,0,0|1,1,0]=4 661 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,2,0,0,0,0|0,1,0]=3 662 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,2,0,0,0,0|1,0,0]=3 663 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,2,0,0,0,0|0,0,0]=2 664 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,2,0,0,0,0|0,1,0]=3 665 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,2,0,0,0,0|1,1,0]=4 666 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,2,0,0,0,0|2,0,0]=4 667 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,2,0,0,0,0|1,1,0]=4 668 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,2,0,0,0,0|1,1,0]=4 669 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,2,0,0,0,0|0,0,0]=2 673 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,2,0,0,0,0|0,1,0]=3 674 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,2,0,0,0,0|0,1,0]=3 675 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,2,0,0,0,0|1,1,0]=4 676 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.35 Oc1ccc(o1)C(F)F 271570a_203496583355_100010688628 [0,2,0,0,0,0|1,0,1]=4 680 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,2,0,0,0,0|1,0,1]=4 682 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,2,0,0,0,0|0,0,2]=4 683 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,2,0,0,0,0|0,0,2]=4 684 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,2,0,0,0,0|1,0,1]=4 685 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,2,0,0,0,0|0,0,2]=4 686 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,2,0,0,0,0|0,0,2]=4 687 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,2,0,0,0,0|1,1,0]=4 688 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,2,0,0,0,0|1,1,0]=4 689 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,2,0,0,0,0|0,1,0]=3 690 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,2,0,0,0,0|1,1,0]=4 691 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [0,2,0,0,0,0|2,0,0]=4 692 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,2,0,0,0,0|2,0,0]=4 693 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,2,0,0,0,0|1,0,1]=4 694 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,2,0,0,0,0|1,0,0]=3 695 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,2,0,0,0,0|1,1,0]=4 697 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,2,0,0,0,0|1,1,0]=4 698 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,2,0,0,0,0|2,0,0]=4 699 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,2,0,0,0,0|1,0,1]=4 703 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,2,0,0,0,0|1,0,1]=4 704 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,2,0,0,0,0|1,0,1]=4 705 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,2,0,0,0,0|1,0,1]=4 706 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,2,0,0,0,0|1,0,1]=4 707 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,2,0,0,0,0|1,0,1]=4 708 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,2,0,0,0,0|1,0,1]=4 709 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,2,0,0,0,0|0,0,2]=4 710 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,2,0,0,0,0|1,0,1]=4 711 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,2,0,0,0,0|1,0,1]=4 712 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,2,0,0,0,0|0,0,2]=4 713 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,2,0,0,0,0|0,0,2]=4 714 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,2,0,0,0,0|0,1,1]=4 715 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,2,0,0,0,0|0,1,1]=4 716 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,2,0,0,0,0|1,0,1]=4 717 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,2,0,0,0,0|1,0,1]=4 718 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,2,0,0,0,0|1,0,1]=4 719 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,2,0,0,0,0|0,0,2]=4 720 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,2,0,0,0,0|1,0,1]=4 721 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,2,0,0,0,0|1,0,1]=4 722 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [0,2,0,0,0,0|2,0,0]=4 725 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.12 O=CCSc1cc[nH]n1 62a_100000062575_200015260668 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.12 O=CCSc1cc[nH]n1 62a_200015260668_100000062575 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,2,0,0,0,0|0,0,0]=2 729 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,2,0,0,0,0|0,0,0]=2 730 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,2,0,0,0,0|0,1,0]=3 731 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,2,0,0,0,0|0,1,0]=3 732 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [0,2,0,0,0,0|2,0,0]=4 736 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.12 O=CCSc1ccsn1 62a_100009818082_200015260668 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.12 O=CCSc1ccsn1 62a_200015260668_100009818082 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,2,0,0,0,0|1,0,0]=3 741 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,2,0,0,0,0|1,0,0]=3 742 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [0,2,0,0,0,0|1,1,0]=4 743 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [0,2,0,0,0,0|1,1,0]=4 744 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.12 O=CCSc1ncc[nH]1 62a_100025796157_200015260668 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.12 O=CCSc1ncc[nH]1 62a_200015260668_100025796157 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [0,2,0,0,0,0|1,0,0]=3 749 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [0,2,0,0,0,0|1,0,0]=3 750 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [0,2,0,0,0,0|1,1,0]=4 751 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [0,2,0,0,0,0|1,1,0]=4 752 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,2,0,0,0,0|0,0,2]=4 753 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,2,0,0,0,0|0,0,2]=4 754 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,2,0,0,0,0|1,0,1]=4 755 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,2,0,0,0,0|1,0,1]=4 756 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,2,0,0,0,0|1,0,0]=3 757 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,2,0,0,0,0|1,1,0]=4 758 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,2,0,0,0,0|1,0,0]=3 763 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,2,0,0,0,0|0,0,0]=2 764 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,2,0,0,0,0|0,1,0]=3 765 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,2,0,0,0,0|1,1,0]=4 772 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,2,0,0,0,0|2,0,0]=4 773 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,2,0,0,0,0|2,0,0]=4 774 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,2,0,0,0,0|1,0,0]=3 775 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,2,0,0,0,0|1,1,0]=4 776 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,2,0,0,0,0|1,0,1]=4 779 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,2,0,0,0,0|1,0,1]=4 780 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,2,0,0,0,0|1,0,1]=4 781 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,2,0,0,0,0|1,0,1]=4 782 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,2,0,0,0,0|1,0,1]=4 783 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,2,0,0,0,0|1,0,1]=4 784 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,2,0,0,0,0|1,0,1]=4 785 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,2,0,0,0,0|1,0,0]=3 787 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,2,0,0,0,0|0,0,0]=2 788 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,2,0,0,0,0|0,1,0]=3 789 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.33 C=C=Cc1sccc1Br 271570a_100015277604_100012361411 [0,2,0,0,0,0|1,1,0]=4 796 B9R1.33 C=C=Cc1sccc1C 271570a_100015277604_100000742657 [0,2,0,0,0,0|1,1,0]=4 797 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [0,2,0,0,0,0|1,1,0]=4 798 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,2,0,0,0,0|1,1,0]=4 799 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [0,2,0,0,0,0|1,0,1]=4 800 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,2,0,0,0,0|1,0,1]=4 801 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,2,0,0,0,0|1,0,1]=4 802 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,2,0,0,0,0|0,0,2]=4 803 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,2,0,0,0,0|0,0,2]=4 804 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,2,0,0,0,0|0,0,2]=4 805 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,2,0,0,0,0|0,0,2]=4 806 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [0,2,0,0,0,0|0,0,0]=2 807 B9R1.14 C=Cc1ccsc1C=O 271570a_100011290941_100000766043 [0,2,0,0,0,0|0,1,0]=3 808 B9R1.14 C=Cc1cscc1C=O 271570a_100011290941_100000685484 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.14 C=Cc1sccc1C#N 271570a_100011290941_100009817073 [0,2,0,0,0,0|1,1,0]=4 810 B9R1.14 C=Cc1sccc1C=O 271570a_100011290941_100009816921 [0,2,0,0,0,0|1,1,0]=4 811 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,2,0,0,0,0|1,1,0]=4 812 B9R1.14 C=Cc1sccc1CN 271570a_100011290941_100000727803 [0,2,0,0,0,0|1,1,0]=4 813 B9R1.14 C=Cc1sccc1CO 271570a_100011290941_100009816922 [0,2,0,0,0,0|1,1,0]=4 814 B9R1.14 CSc1[nH]cnc1C=O 62a_100015192532_200000210301 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.14 CSc1[nH]cnc1C=O 62a_200000210301_100015192532 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,2,0,0,0,0|0,0,0]=2 817 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,2,0,0,0,0|0,0,0]=2 818 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [0,2,0,0,0,0|0,1,0]=3 819 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [0,2,0,0,0,0|0,1,0]=3 820 B9R1.14 CSc1cn[nH]c1C=O 62a_100000732679_200000210301 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.14 CSc1cn[nH]c1C=O 62a_200000210301_100000732679 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,2,0,0,0,0|2,0,0]=4 825 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_100015192532_200025704644 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_200025704644_100015192532 [0,2,0,0,0,0|2,0,0]=4 828 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,2,0,0,0,0|0,0,0]=2 829 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,2,0,0,0,0|0,0,0]=2 830 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [0,2,0,0,0,0|0,1,0]=3 831 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [0,2,0,0,0,0|0,1,0]=3 832 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_100000732679_200025704644 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_200025704644_100000732679 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,2,0,0,0,0|2,0,0]=4 838 B9R1.27 Cn1cnc(c1C=O)O 271570a_203496583355_200000040309 [0,2,0,0,0,0|2,0,0]=4 839 B9R1.27 Cn1ncc(c1C=O)O 271570a_203496583355_100000763672 [0,2,0,0,0,0|2,0,0]=4 840 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,0,1,1,0,0|1,0,0]=3 841 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,0,1,1,0,0|2,0,0]=4 842 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,0,1,1,0,0|1,0,0]=3 843 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,0,1,1,0,0|2,0,0]=4 844 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [0,0,1,1,0,0|2,0,0]=4 845 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [0,0,1,1,0,0|2,0,0]=4 846 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [0,0,1,1,0,0|2,0,0]=4 847 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [0,0,1,1,0,0|2,0,0]=4 848 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,1,0,1,0,0|1,0,1]=4