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=Cc1ccco1 271570a_100011290941_100009814098 [0,0,0,0,0,0|1,0,1]=2 3 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [0,0,0,0,0,0|1,1,1]=3 4 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,0,0,0,0,0|2,1,1]=4 9 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [0,0,0,0,0,0|2,1,1]=4 13 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,0,0,0,0,0|2,1,0]=3 23 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,0,0,0,0,0|2,1,0]=3 24 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,0,0,0,0,0|3,1,0]=4 35 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,0,0,0,0,0|3,1,0]=4 36 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,0,0,0,0,0|3,1,0]=4 43 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,0,0,0,0,0|3,1,0]=4 44 B7R1.1 FCN1CC=CC1 269982a_100015195280_100015361967 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,0,0,0,0,0|2,1,0]=3 54 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,0,0,0,0,0|2,1,0]=3 55 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,0,0,0,0,0|4,0,0]=4 59 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,0,0,0,0,0|4,0,0]=4 63 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,0,0,0,0,0|3,1,0]=4 66 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,0,0,0,0,0|3,1,0]=4 67 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,0,0,0,0,0|4,0,0]=4 69 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,0,0,0,0,0|4,0,0]=4 70 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,0,0,0,0,0|3,0,0]=3 72 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,0,0,0,0,0|3,0,0]=3 73 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,0,0,0,0,0|3,1,0]=4 74 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,0,0,0,0,0|3,1,0]=4 75 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|2,1,0]=4 77 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|2,1,0]=4 78 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|0,1,0]=2 79 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|0,2,0]=3 80 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|2,1,0]=4 81 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|2,1,0]=4 82 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|2,1,0]=4 83 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|1,1,0]=3 84 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|1,2,0]=4 85 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|2,1,0]=4 86 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|2,1,0]=4 87 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|1,1,0]=3 88 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|1,2,0]=4 89 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,1,0,0,0,0|1,1,1]=4 91 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,1,0,0,0,0|1,1,1]=4 92 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,1,0,0,0,0|1,1,1]=4 93 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,0,0,0|1,1,0]=3 94 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,0,0,0|1,1,0]=3 95 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,0,0,0|2,1,0]=4 100 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,0,0,0|2,1,0]=4 101 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,1,0,0,0,0|2,1,0]=4 102 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,1,0,0,0,0|2,1,0]=4 103 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,1,0,0,0,0|2,1,0]=4 104 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,0,0,0|2,1,0]=4 105 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,0,0,0|2,1,0]=4 106 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,0,0,0|2,1,0]=4 107 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,0,0,0|2,1,0]=4 108 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,0,0,0|2,1,0]=4 109 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,0,0,0|2,1,0]=4 110 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [0,1,0,0,0,0|2,1,0]=4 111 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.1 N#Cc1cc(cs1)O 271570a_203496583355_100000742465 [0,1,0,0,0,0|1,1,1]=4 113 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,1,0,0,0,0|1,1,1]=4 115 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,1,0,0,0,0|1,1,0]=3 117 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,1,0,0,0,0|2,1,0]=4 118 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,1,0,0,0,0|2,1,0]=4 119 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,1,0,0,0,0|0,1,1]=3 120 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [0,1,0,0,0,0|0,2,1]=4 121 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,0,0,0|0,1,1]=3 122 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,1,0,0,0,0|0,2,1]=4 123 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,1,0,0,0,0|0,2,0]=3 124 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,0,0,0|0,1,0]=2 125 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,1,0,0,0,0|0,2,0]=3 126 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,1,0,0,0,0|1,2,0]=4 127 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,1,0,0,0,0|2,1,0]=4 128 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [0,1,0,0,0,0|1,2,0]=4 129 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,1,0,0,0,0|1,2,0]=4 130 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,1,0,0,0,0|2,1,0]=4 131 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,1,0,0,0,0|2,1,0]=4 132 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [0,1,0,0,0,0|1,1,1]=4 138 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,1,0,0,0,0|1,1,1]=4 142 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,1,0,0,0,0|1,1,0]=3 153 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,1,0,0,0,0|1,1,0]=3 154 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,1,0,0,0,0|2,1,0]=4 165 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,1,0,0,0,0|2,1,0]=4 166 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,1,0,0,0,0|2,1,0]=4 173 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,1,0,0,0,0|2,1,0]=4 174 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,1,0,0,0,0|1,1,0]=3 183 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,1,0,0,0,0|1,1,0]=3 184 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,1,0,0,0,0|1,1,0]=3 185 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,1,0,0,0,0|2,1,0]=4 205 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,1,0,0,0,0|2,1,0]=4 206 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,1,0,0,0,0|2,1,0]=4 207 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,1,0,0,0,0|2,1,0]=4 208 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,1,0,0,0,0|2,1,0]=4 209 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,1,0,0,0,0|2,1,0]=4 210 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [0,1,0,0,0,0|2,1,0]=4 227 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [0,1,0,0,0,0|2,1,0]=4 228 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [0,1,0,0,0,0|2,1,0]=4 229 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [0,1,0,0,0,0|2,1,0]=4 230 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [0,1,0,0,0,0|2,1,0]=4 231 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [0,1,0,0,0,0|2,1,0]=4 232 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,1,0,0,0,0|2,1,0]=4 233 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,1,0,0,0,0|0,1,0]=2 234 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,1,0,0,0,0|0,2,0]=3 235 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,1,0,0,0,0|2,1,0]=4 236 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,1,0,0,0,0|1,1,0]=3 237 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,1,0,0,0,0|2,1,0]=4 238 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,1,0,0,0,0|2,1,0]=4 239 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,1,0,0,0,0|2,1,0]=4 240 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,1,0,0,0,0|2,1,0]=4 241 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,1,0,0,0,0|1,2,0]=4 242 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,1,0,0,0,0|2,1,0]=4 243 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [0,1,0,0,0,0|2,1,0]=4 244 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [0,1,0,0,0,0|1,1,0]=3 245 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [0,1,0,0,0,0|1,1,0]=3 246 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [0,1,0,0,0,0|1,2,0]=4 247 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [0,1,0,0,0,0|2,1,0]=4 248 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [0,1,0,0,0,0|2,0,1]=4 249 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,1,0,0,0,0|1,1,0]=3 258 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,1,0,0,0,0|1,1,0]=3 259 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,1,0,0,0,0|1,0,0]=2 264 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,1,0,0,0,0|1,0,0]=2 265 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [0,1,0,0,0,0|1,1,0]=3 266 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [0,1,0,0,0,0|1,1,0]=3 267 B8R1.8 CSCc1ncon1 62a_100000233494_200000210301 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.8 CSCc1ncon1 62a_200000210301_100000233494 [0,1,0,0,0,0|3,0,0]=4 269 B8R1.8 CSCn1cncn1 62a_200000210301_200020645497 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.8 CSCn1cncn1 62a_200020645497_200000210301 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,1,0,0,0,0|3,0,0]=4 272 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,1,0,0,0,0|3,0,0]=4 276 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,1,0,0,0,0|1,0,0]=2 279 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,1,0,0,0,0|1,1,0]=3 280 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,1,0,0,0,0|1,1,0]=3 281 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,1,0,0,0,0|3,0,0]=4 282 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.8 FCSc1ccon1 62a_100009818083_100015361967 [0,1,0,0,0,0|3,0,0]=4 284 B8R1.8 FCSc1ccon1 62a_100015361967_100009818083 [0,1,0,0,0,0|3,0,0]=4 285 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,1,0,0,0,0|3,0,0]=4 286 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.8 FCSc1ccsn1 62a_100009818082_100015361967 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.8 FCSc1ccsn1 62a_100015361967_100009818082 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,1,0,0,0,0|2,1,0]=4 292 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,1,0,0,0,0|2,1,0]=4 293 B8R1.8 FCSc1cscn1 62a_100000751502_100015361967 [0,1,0,0,0,0|3,0,0]=4 294 B8R1.8 FCSc1cscn1 62a_100015361967_100000751502 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [0,1,0,0,0,0|3,0,0]=4 297 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [0,1,0,0,0,0|2,1,0]=4 300 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [0,1,0,0,0,0|2,1,0]=4 301 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,1,0,0,0,0|1,0,0]=2 302 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,1,0,0,0,0|1,0,0]=2 303 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,1,0,0,0,0|1,1,0]=3 304 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,1,0,0,0,0|3,0,0]=4 305 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,1,0,0,0,0|2,1,0]=4 309 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [0,1,0,0,0,0|2,0,0]=3 311 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [0,1,0,0,0,0|2,1,0]=4 312 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,1,0,0,0,0|0,1,0]=2 313 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,1,0,0,0,0|0,2,0]=3 314 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,1,0,0,0,0|1,1,0]=3 315 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,1,0,0,0,0|2,1,0]=4 316 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,1,0,0,0,0|2,1,0]=4 317 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [0,1,0,0,0,0|1,1,0]=3 318 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [0,1,0,0,0,0|2,1,0]=4 319 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,1,0,0,0,0|2,0,0]=3 322 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,1,0,0,0,0|2,0,0]=3 324 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,1,0,0,0,0|2,0,0]=3 325 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,1,0,0,0,0|2,0,0]=3 326 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,1,0,0,0,0|2,0,0]=3 327 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,1,0,0,0,0|1,1,0]=3 328 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,1,0,0,0,0|1,1,0]=3 329 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,1,0,0,0,0|2,0,0]=3 331 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,1,0,0,0,0|1,0,0]=2 334 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,1,0,0,0,0|1,0,0]=2 335 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [0,1,0,0,0,0|1,1,0]=3 336 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [0,1,0,0,0,0|1,1,0]=3 337 B8R1.8 [13CH3]SCc1ncon1 62a_100000233494_200025704644 [0,1,0,0,0,0|3,0,0]=4 338 B8R1.8 [13CH3]SCc1ncon1 62a_200025704644_100000233494 [0,1,0,0,0,0|3,0,0]=4 339 B8R1.8 [13CH3]SCn1cncn1 62a_200020645497_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B8R1.8 [13CH3]SCn1cncn1 62a_200025704644_200020645497 [0,1,0,0,0,0|3,0,0]=4 341 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [0,1,0,0,0,0|1,1,1]=4 342 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,1,0,0,0,0|1,1,1]=4 343 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,0,0,0|3,0,0]=4 344 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,0,0,0|3,0,0]=4 345 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,0,0,0|3,0,0]=4 346 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,1,0,0,0,0|2,1,0]=4 347 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,1,0,0,0,0|2,1,0]=4 348 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,0,0,0|2,1,0]=4 349 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,0,0,0|2,1,0]=4 350 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,0,0,0|2,1,0]=4 351 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,0,0,0|2,1,0]=4 352 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,0,0,0|2,1,0]=4 353 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [0,1,0,0,0,0|1,1,1]=4 354 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,0,0,0|3,0,0]=4 355 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,1,0,0,0,0|0,1,1]=3 356 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,1,0,0,0,0|0,2,1]=4 357 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,0,0,0|2,1,0]=4 358 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,1,0,0,0,0|2,1,0]=4 359 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,0,0,0|0,2,0]=3 360 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,1,0,0,0,0|1,2,0]=4 361 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,1,0,0,0,0|2,1,0]=4 362 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,1,0,0,0,0|2,1,0]=4 363 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|1,0,2]=4 364 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|1,0,2]=4 365 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,1,0,0,0|1,0,2]=4 366 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,1,0,0,0|0,1,2]=4 367 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|1,0,2]=4 368 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|1,0,2]=4 369 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|2,0,1]=4 370 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|2,0,1]=4 371 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|2,0,1]=4 372 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,1,0,0,0|2,0,1]=4 373 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,1,0,0,0|2,0,1]=4 374 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,1,0,0,0|2,0,1]=4 375 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,1,0,0,0|1,0,2]=4 376 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|1,0,2]=4 377 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|1,0,2]=4 378 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,1,0,0,0|1,0,2]=4 379 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,1,0,0,0|1,0,2]=4 380 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,1,0,0,0|0,1,2]=4 381 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,0,1,0,0,0|1,0,2]=4 382 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,0,1,0,0,0|1,0,2]=4 383 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,0,1,0,0,0|1,0,2]=4 384 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,0,1,0,0,0|1,0,2]=4 385 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [0,0,0,0,0,1|2,0,1]=4 386 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [0,0,0,0,0,1|2,0,1]=4 387 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,0,0,0,0,1|2,0,1]=4 388 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [0,0,0,0,0,1|2,0,1]=4 389 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,0,0,0,0,1|2,0,1]=4 391 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,0,0,0,0,1|2,0,1]=4 392 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [0,0,0,0,0,1|2,0,1]=4 393 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,0,0,0,0,1|3,0,0]=4 394 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,0,0,0,0,1|3,0,0]=4 395 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,0,0,0,0,1|3,0,0]=4 399 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,0,0,0,0,1|3,0,0]=4 400 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,0,0,0,0,1|3,0,0]=4 401 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,0,0,0,0,1|3,0,0]=4 402 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,0,0,0,0,1|3,0,0]=4 405 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,0,0,0,0,1|3,0,0]=4 406 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,0,0,0,0,1|3,0,0]=4 407 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,0,0,0,0,1|3,0,0]=4 408 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,0,0,0,0,1|3,0,0]=4 417 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [0,0,0,0,0,1|3,0,0]=4 418 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [0,0,0,0,0,1|3,0,0]=4 419 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,0,0,0,0,1|3,0,0]=4 420 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,0,0,0,0,1|3,0,0]=4 421 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,0,0,0,0,1|3,0,0]=4 422 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,0,0,0,0,1|3,0,0]=4 423 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,0,0,0,0,1|3,0,0]=4 424 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,0,0,0,0,1|3,0,0]=4 425 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,0,0,0,0,1|3,0,0]=4 426 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,0,0,0,0,1|3,0,0]=4 427 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,0,0,0,0,1|3,0,0]=4 428 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,0,0,0,0,1|3,0,0]=4 429 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,0,0,0,0,1|3,0,0]=4 430 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,0,0,0,0,1|3,0,0]=4 431 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,0,0,0,0,1|3,0,0]=4 432 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,0,0,0,0,1|3,0,0]=4 433 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,0,0,0,0,1|3,0,0]=4 434 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,0,0,0,0,1|3,0,0]=4 435 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,0,0,0,0,1|3,0,0]=4 436 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,0,0,0,0,1|3,0,0]=4 437 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,0,0,0,0,1|3,0,0]=4 438 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,0,0,0,0,1|3,0,0]=4 439 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [0,0,0,0,0,1|3,0,0]=4 440 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [0,0,0,0,0,1|3,0,0]=4 441 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|0,0,2]=4 442 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|0,0,2]=4 443 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|0,0,2]=4 444 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|1,0,1]=4 445 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|1,0,1]=4 446 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|1,0,1]=4 447 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|0,0,2]=4 448 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|0,0,2]=4 449 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|1,0,1]=4 450 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|1,0,1]=4 451 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|1,0,1]=4 452 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|0,0,2]=4 453 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|0,0,2]=4 454 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,1,0,0,0|1,0,1]=4 455 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,0,1]=4 456 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,1,0,0,0|1,0,1]=4 457 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|0,0,2]=4 458 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|0,0,2]=4 459 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,1,0,0,0|1,0,1]=4 460 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,1,1,0,0,0|1,0,1]=4 461 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,1,0,0,0|0,0,2]=4 462 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|2,0,0]=4 464 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,1,0,0,0|1,1,0]=4 465 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,1,0,0,0|1,0,0]=3 466 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,1,0,0,0|1,0,0]=3 467 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,1,0,0,0|1,0,0]=3 468 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,1,0,0,0|1,0,0]=3 469 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,1,1,0,0,0|1,1,0]=4 470 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,1,1,0,0,0|1,1,0]=4 471 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,1,0,0,0|0,0,2]=4 472 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,1,0,0,0|0,0,2]=4 473 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,1,0,0,0|0,0,2]=4 474 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,1,0,0,0,0|2,0,0]=4 475 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,1,0,0,0,0|0,1,0]=3 476 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,1,0,0,0,0|2,0,0]=4 477 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,1,0,0,0,0|2,0,0]=4 478 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,1,0,0,0,0|0,1,0]=3 479 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,1,0,0,0,0|1,1,0]=4 480 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|0,2,0]=4 481 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,1,0,0,0,0|2,0,0]=4 482 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,1,0,0,0,0|2,0,0]=4 483 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,1,0,0,0,0|1,1,0]=4 484 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [1,1,0,0,0,0|2,0,0]=4 485 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,1,0,0,0,0|1,1,0]=4 486 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [1,1,0,0,0,0|2,0,0]=4 487 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [1,1,0,0,0,0|2,0,0]=4 488 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,1,0,0,0,0|2,0,0]=4 489 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,1,0,0,0,0|2,0,0]=4 490 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,1,0,0,0,0|0,2,0]=4 491 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [1,1,0,0,0,0|2,0,0]=4 492 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,1,0,0,0,0|0,2,0]=4 493 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,1,0,0,0,0|2,0,0]=4 494 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [1,1,0,0,0,0|2,0,0]=4 495 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [1,1,0,0,0,0|2,0,0]=4 496 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,1,0,0,0,0|1,0,0]=3 497 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,1,0,0,0,0|0,1,0]=3 498 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [1,1,0,0,0,0|1,1,0]=4 499 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,1,0,0,0,0|2,0,0]=4 500 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [1,1,0,0,0,0|0,2,0]=4 501 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.1 NCc1ncc(cn1)O 271570a_203496583355_200016993442 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [0,1,0,0,0,1|1,1,0]=4 509 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,1,0,0,0,1|1,1,0]=4 510 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [0,1,0,0,0,1|1,1,0]=4 511 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [0,1,0,0,0,1|1,1,0]=4 512 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [0,1,0,0,0,1|1,1,0]=4 513 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,0,0,1|1,1,0]=4 526 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [0,1,0,0,0,1|1,1,0]=4 527 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,0,0,1|1,1,0]=4 528 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,0,0,1|1,1,0]=4 529 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,1,0,0,0,1|1,1,0]=4 530 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,0,0,1|1,1,0]=4 531 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,1,0,0,0,1|1,1,0]=4 532 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [0,1,0,0,0,1|1,1,0]=4 592 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [0,1,0,0,0,1|1,1,0]=4 593 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [0,1,0,0,0,1|1,1,0]=4 594 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [0,1,0,0,0,1|1,1,0]=4 595 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,1,0,0,0,1|1,1,0]=4 596 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,1,0,0,0,1|1,1,0]=4 597 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,1,0,0,0,1|1,1,0]=4 598 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [0,1,0,0,0,1|1,1,0]=4 599 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [0,1,0,0,0,1|1,0,0]=3 600 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [0,1,0,0,0,1|1,0,0]=3 601 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [0,1,0,0,0,1|1,0,0]=3 602 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [0,1,0,0,0,1|1,0,0]=3 603 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,1,0,0,0,1|1,0,0]=3 604 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,1,0,0,0,1|1,0,0]=3 605 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [0,1,0,0,0,1|1,0,0]=3 606 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [0,1,0,0,0,1|1,0,0]=3 607 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,1,0,0,0,1|1,0,0]=3 608 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,1,0,0,0,1|1,0,0]=3 609 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,1,0,0,0,1|1,0,0]=3 610 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,1,0,0,0,1|1,0,0]=3 611 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [0,1,0,0,0,1|1,0,0]=3 614 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [0,1,0,0,0,1|1,0,0]=3 615 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.8 FCSc1cccnn1 62a_100015361967_100016991348 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.8 FCSc1cccnn1 62a_100016991348_100015361967 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.8 FCSc1ncccn1 62a_100000211032_100015361967 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.8 FCSc1ncccn1 62a_100015361967_100000211032 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [0,1,0,0,0,1|1,1,0]=4 641 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [0,1,0,0,0,1|1,1,0]=4 642 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [0,1,0,0,0,1|1,0,0]=3 643 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [0,1,0,0,0,1|1,0,0]=3 644 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [0,1,0,0,0,1|1,0,0]=3 645 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [0,1,0,0,0,1|1,0,0]=3 646 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,1,0,0,0,1|1,0,0]=3 647 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,1,0,0,0,1|1,0,0]=3 648 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [0,1,0,0,0,1|1,0,0]=3 649 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [0,1,0,0,0,1|1,0,0]=3 650 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,1,0,0,0,1|1,0,0]=3 651 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,1,0,0,0,1|1,0,0]=3 652 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,1,0,0,0,1|1,0,0]=3 653 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,1,0,0,0,1|1,0,0]=3 654 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [0,1,0,0,0,1|1,0,0]=3 657 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [0,1,0,0,0,1|1,0,0]=3 658 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [0,1,0,0,0,1|1,1,0]=4 673 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [0,1,0,0,0,1|1,1,0]=4 674 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [0,1,0,0,0,1|1,1,0]=4 675 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [0,1,0,0,0,1|1,1,0]=4 676 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [0,1,0,0,0,1|1,1,0]=4 677 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [0,1,0,0,0,1|1,1,0]=4 678 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,2,0,0,0,0|1,1,0]=4 682 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,2,0,0,0,0|1,1,0]=4 683 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,2,0,0,0,0|1,1,0]=4 684 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,2,0,0,0,0|1,1,0]=4 685 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,2,0,0,0,0|1,1,0]=4 686 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,2,0,0,0,0|1,1,0]=4 687 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,2,0,0,0,0|1,1,0]=4 688 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [0,2,0,0,0,0|1,1,0]=4 691 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [0,2,0,0,0,0|1,1,0]=4 692 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [0,2,0,0,0,0|1,1,0]=4 693 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [0,2,0,0,0,0|1,1,0]=4 694 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [0,2,0,0,0,0|1,1,0]=4 695 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [0,2,0,0,0,0|1,1,0]=4 696 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [0,2,0,0,0,0|1,1,0]=4 697 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,2,0,0,0,0|1,1,0]=4 698 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,2,0,0,0,0|1,1,0]=4 699 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,2,0,0,0,0|1,1,0]=4 700 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,2,0,0,0,0|1,1,0]=4 701 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [0,2,0,0,0,0|1,1,0]=4 702 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [0,2,0,0,0,0|1,1,0]=4 703 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [0,2,0,0,0,0|1,1,0]=4 704 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [0,2,0,0,0,0|1,1,0]=4 705 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [0,2,0,0,0,0|2,0,0]=4 712 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [0,2,0,0,0,0|2,0,0]=4 714 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [0,2,0,0,0,0|2,0,0]=4 715 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [0,2,0,0,0,0|2,0,0]=4 716 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,2,0,0,0,0|1,0,0]=3 717 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,2,0,0,0,0|1,0,0]=3 719 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,2,0,0,0,0|1,0,0]=3 720 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,2,0,0,0,0|1,0,0]=3 721 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,2,0,0,0,0|1,0,0]=3 722 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,2,0,0,0,0|1,0,0]=3 726 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,2,0,0,0,0|1,1,0]=4 727 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,2,0,0,0,0|1,1,0]=4 728 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,2,0,0,0,0|1,1,0]=4 729 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,2,0,0,0,0|1,1,0]=4 730 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,2,0,0,0,0|1,1,0]=4 731 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,2,0,0,0,0|1,1,0]=4 732 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,2,0,0,0,0|1,1,0]=4 733 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,2,0,0,0,0|1,1,0]=4 734 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,2,0,0,0,0|1,1,0]=4 735 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,2,0,0,0,0|1,1,0]=4 736 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,2,0,0,0,0|1,1,0]=4 737 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,2,0,0,0,0|1,1,0]=4 738 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,2,0,0,0,0|1,1,0]=4 739 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,2,0,0,0,0|1,1,0]=4 740 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [0,2,0,0,0,0|0,2,0]=4 745 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [0,2,0,0,0,0|0,2,0]=4 746 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [0,2,0,0,0,0|0,2,0]=4 747 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,2,0,0,0,0|0,2,0]=4 748 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,2,0,0,0,0|0,2,0]=4 749 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [0,2,0,0,0,0|0,2,0]=4 750 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [0,2,0,0,0,0|1,1,0]=4 751 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,2,0,0,0,0|1,1,0]=4 752 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,2,0,0,0,0|1,1,0]=4 753 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,2,0,0,0,0|0,1,0]=3 754 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,2,0,0,0,0|0,1,0]=3 755 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,2,0,0,0,0|0,1,0]=3 756 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,2,0,0,0,0|0,1,0]=3 757 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,2,0,0,0,0|0,2,0]=4 758 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,2,0,0,0,0|0,2,0]=4 759 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,2,0,0,0,0|0,2,0]=4 760 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [0,2,0,0,0,0|0,1,0]=3 763 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [0,2,0,0,0,0|0,1,0]=3 764 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [0,2,0,0,0,0|1,0,0]=3 765 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [0,2,0,0,0,0|1,0,0]=3 767 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [0,2,0,0,0,0|1,0,0]=3 768 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,2,0,0,0,0|0,1,0]=3 771 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,2,0,0,0,0|0,1,0]=3 772 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,2,0,0,0,0|0,1,0]=3 773 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,2,0,0,0,0|0,1,0]=3 774 B9R1.7 CSCc1ccn(n1)C 62a_100000726502_200000210301 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.7 CSCc1ccn(n1)C 62a_200000210301_100000726502 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.7 CSCc1cn(cn1)C 62a_100000717665_200000210301 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.7 CSCc1cn(cn1)C 62a_200000210301_100000717665 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.7 CSCc1cnc(s1)Br 62a_100000717027_200000210301 [0,2,0,0,0,0|1,1,0]=4 779 B9R1.7 CSCc1cnc(s1)Br 62a_200000210301_100000717027 [0,2,0,0,0,0|1,1,0]=4 780 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,2,0,0,0,0|1,1,0]=4 781 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,2,0,0,0,0|1,1,0]=4 782 B9R1.7 CSCc1cnc(s1)Cl 62a_100000058068_200000210301 [0,2,0,0,0,0|1,1,0]=4 783 B9R1.7 CSCc1cnc(s1)Cl 62a_200000210301_100000058068 [0,2,0,0,0,0|1,1,0]=4 784 B9R1.7 CSCc1csc(n1)C 62a_100015186478_200000210301 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.7 CSCc1csc(n1)C 62a_200000210301_100015186478 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.7 CSCc1csc(n1)Cl 62a_100000024076_200000210301 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.7 CSCc1csc(n1)Cl 62a_200000210301_100000024076 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.7 CSCc1nc(no1)C 270196a_100000212224_100000184570 [0,2,0,0,0,0|2,0,0]=4 789 B9R1.7 CSCc1nc(no1)C 62a_100000735555_200000210301 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.7 CSCc1nc(no1)C 62a_200000210301_100000735555 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.7 CSCc1nnc(o1)C 62a_100000181450_200000210301 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.7 CSCc1nnc(o1)C 62a_200000210301_100000181450 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [0,2,0,0,0,0|2,0,0]=4 796 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [0,2,0,0,0,0|2,0,0]=4 797 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,2,0,0,0,0|1,1,0]=4 798 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [0,2,0,0,0,0|1,0,0]=3 799 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [0,2,0,0,0,0|1,0,0]=3 800 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,2,0,0,0,0|0,1,0]=3 802 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,2,0,0,0,0|0,1,0]=3 803 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,2,0,0,0,0|1,1,0]=4 804 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,2,0,0,0,0|0,2,0]=4 805 B9R1.7 Cc1ccc(s1)SCF 62a_100000031368_100015361967 [0,2,0,0,0,0|1,1,0]=4 806 B9R1.7 Cc1ccc(s1)SCF 62a_100015361967_100000031368 [0,2,0,0,0,0|1,1,0]=4 807 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [0,2,0,0,0,0|2,0,0]=4 808 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,2,0,0,0,0|1,1,0]=4 810 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,2,0,0,0,0|1,1,0]=4 811 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,2,0,0,0,0|0,2,0]=4 812 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,2,0,0,0,0|0,2,0]=4 813 B9R1.7 Cc1csc(c1)SCF 62a_100009876951_100015361967 [0,2,0,0,0,0|1,1,0]=4 814 B9R1.7 Cc1csc(c1)SCF 62a_100015361967_100009876951 [0,2,0,0,0,0|1,1,0]=4 815 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_100015186478_200025704644 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_200025704644_100015186478 [0,2,0,0,0,0|2,0,0]=4 817 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,2,0,0,0,0|1,1,0]=4 818 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,2,0,0,0,0|1,1,0]=4 819 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_100000181450_200025704644 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_200025704644_100000181450 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_100000735555_200025704644 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_200025704644_100000735555 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_100000726502_200025704644 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_200025704644_100000726502 [0,2,0,0,0,0|2,0,0]=4 825 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_100000717665_200025704644 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_200025704644_100000717665 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.7 FCSc1ccc(s1)Br 62a_100010197418_100015361967 [0,2,0,0,0,0|1,1,0]=4 828 B9R1.7 FCSc1ccc(s1)Br 62a_100015361967_100010197418 [0,2,0,0,0,0|1,1,0]=4 829 B9R1.7 N#CCc1cc(cs1)O 271570a_203496583355_100000725765 [0,2,0,0,0,0|1,1,0]=4 830 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,2,0,0,0,0|1,1,0]=4 831 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [0,2,0,0,0,0|1,1,0]=4 832 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [0,2,0,0,0,0|1,1,0]=4 833 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,2,0,0,0,0|1,0,0]=3 836 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,2,0,0,0,0|1,1,0]=4 837 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [0,2,0,0,0,0|0,2,0]=4 838 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [0,2,0,0,0,0|0,2,0]=4 839 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [0,2,0,0,0,0|1,1,0]=4 840 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,2,0,0,0,0|0,1,0]=3 841 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,2,0,0,0,0|0,1,0]=3 842 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [0,2,0,0,0,0|0,1,0]=3 845 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [0,2,0,0,0,0|0,1,0]=3 846 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [0,2,0,0,0,0|1,0,0]=3 847 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,2,0,0,0,0|0,1,0]=3 849 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,2,0,0,0,0|0,1,0]=3 850 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,2,0,0,0,0|0,1,0]=3 851 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,2,0,0,0,0|0,1,0]=3 852 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_100000717027_200025704644 [0,2,0,0,0,0|1,1,0]=4 853 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_200025704644_100000717027 [0,2,0,0,0,0|1,1,0]=4 854 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_100000058068_200025704644 [0,2,0,0,0,0|1,1,0]=4 855 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_200025704644_100000058068 [0,2,0,0,0,0|1,1,0]=4 856 B9R1.7 [13CH3]SCc1csc(n1)Cl 62a_100000024076_200025704644 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.7 [13CH3]SCc1csc(n1)Cl 62a_200025704644_100000024076 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.21 C=Cc1ccc(o1)C#N 271570a_100011290941_100000764468 [0,2,0,0,0,0|1,0,1]=4 859 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,2,0,0,0,0|0,1,1]=4 860 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,2,0,0,0,0|1,0,0]=3 861 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,2,0,0,0,0|0,1,0]=3 862 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,2,0,0,0,0|1,1,0]=4 863 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,2,0,0,0,0|1,1,0]=4 864 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,2,0,0,0,0|0,2,0]=4 865 B9R1.21 C=Cc1coc(c1)C=O 271570a_100011290941_100000747035 [0,2,0,0,0,0|0,1,1]=4 866 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [0,2,0,0,0,0|1,1,0]=4 867 B9R1.21 C=Cc1csc(c1)CO 271570a_100011290941_100000238369 [0,2,0,0,0,0|0,2,0]=4 868 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,2,0,0,0,0|1,1,0]=4 869 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,2,0,0,0,0|1,1,0]=4 870 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,2,0,0,0,0|1,1,0]=4 871 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,2,0,0,0,0|1,1,0]=4 872 B9R1.21 CCc1cc(no1)OC 34a_200009875660_200000210301 [0,2,0,0,0,0|2,0,0]=4 873 B9R1.21 CCc1cc(no1)O[13CH3] 34a_200009875660_200025704644 [0,2,0,0,0,0|2,0,0]=4 874 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,2,0,0,0,0|1,1,0]=4 875 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,2,0,0,0,0|1,1,0]=4 876 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,2,0,0,0,0|1,1,0]=4 877 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,2,0,0,0,0|1,1,0]=4 878 B9R1.21 CSc1cc(on1)CN 62a_100015193020_200000210301 [0,2,0,0,0,0|2,0,0]=4 879 B9R1.21 CSc1cc(on1)CN 62a_200000210301_100015193020 [0,2,0,0,0,0|2,0,0]=4 880 B9R1.21 CSc1cc(on1)CO 62a_100009816691_200000210301 [0,2,0,0,0,0|1,1,0]=4 881 B9R1.21 CSc1cc(on1)CO 62a_200000210301_100009816691 [0,2,0,0,0,0|1,1,0]=4 882 B9R1.21 CSc1ccc(o1)C#N 62a_200000210301_100000764468 [0,2,0,0,0,0|1,0,1]=4 883 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,2,0,0,0,0|0,1,1]=4 884 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,2,0,0,0,0|1,0,0]=3 885 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,2,0,0,0,0|0,1,0]=3 886 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,2,0,0,0,0|0,1,0]=3 887 B9R1.21 CSc1ccc(s1)CN 62a_100000737305_200000210301 [0,2,0,0,0,0|1,1,0]=4 888 B9R1.21 CSc1ccc(s1)CN 62a_200000210301_100000737305 [0,2,0,0,0,0|1,1,0]=4 889 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,2,0,0,0,0|0,2,0]=4 890 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,2,0,0,0,0|0,2,0]=4 891 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,2,0,0,0,0|0,1,1]=4 892 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,2,0,0,0,0|0,1,1]=4 893 B9R1.21 CSc1csc(c1)CN 62a_100000741024_200000210301 [0,2,0,0,0,0|1,1,0]=4 894 B9R1.21 CSc1csc(c1)CN 62a_200000210301_100000741024 [0,2,0,0,0,0|1,1,0]=4 895 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [0,2,0,0,0,0|0,2,0]=4 896 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [0,2,0,0,0,0|0,2,0]=4 897 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_100015193020_200025704644 [0,2,0,0,0,0|2,0,0]=4 898 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_200025704644_100015193020 [0,2,0,0,0,0|2,0,0]=4 899 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_100009816691_200025704644 [0,2,0,0,0,0|1,1,0]=4 900 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_200025704644_100009816691 [0,2,0,0,0,0|1,1,0]=4 901 B9R1.21 [13CH3]Sc1ccc(o1)C#N 62a_200025704644_100000764468 [0,2,0,0,0,0|1,0,1]=4 902 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,2,0,0,0,0|0,1,1]=4 903 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,2,0,0,0,0|1,0,0]=3 904 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,2,0,0,0,0|0,1,0]=3 905 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,2,0,0,0,0|0,1,0]=3 906 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_100000737305_200025704644 [0,2,0,0,0,0|1,1,0]=4 907 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_200025704644_100000737305 [0,2,0,0,0,0|1,1,0]=4 908 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,2,0,0,0,0|0,2,0]=4 909 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,2,0,0,0,0|0,2,0]=4 910 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,2,0,0,0,0|0,1,1]=4 911 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,2,0,0,0,0|0,1,1]=4 912 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_100000741024_200025704644 [0,2,0,0,0,0|1,1,0]=4 913 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_200025704644_100000741024 [0,2,0,0,0,0|1,1,0]=4 914 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [0,2,0,0,0,0|0,2,0]=4 915 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [0,2,0,0,0,0|0,2,0]=4 916 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,2,0,0,0,0|0,2,0]=4 917 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,2,0,0,0,0|0,1,1]=4 918 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [0,2,0,0,0,0|1,1,0]=4 919 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,2,0,0,0,0|1,1,0]=4 920 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,2,0,0,0,0|0,1,1]=4 921 B9R1.35 Oc1ccc(o1)C(F)F 271570a_203496583355_100010688628 [0,2,0,0,0,0|1,0,0]=3 922 B9R1.35 Oc1ccc(s1)C(F)F 271570a_203496583355_100000733805 [0,2,0,0,0,0|1,1,0]=4 923 B9R1.35 Oc1csc(c1)C(F)F 271570a_203496583355_100010176050 [0,2,0,0,0,0|1,1,0]=4 924 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,2,0,0,0,0|1,1,0]=4 925 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,2,0,0,0,0|1,1,0]=4 927 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,2,0,0,0,0|1,1,0]=4 928 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,2,0,0,0,0|1,0,0]=3 929 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,2,0,0,0,0|0,1,0]=3 930 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,2,0,0,0,0|0,1,0]=3 931 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,2,0,0,0,0|0,2,0]=4 932 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,2,0,0,0,0|1,0,0]=3 933 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,2,0,0,0,0|0,2,0]=4 934 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,2,0,0,0,0|0,1,0]=3 935 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,2,0,0,0,0|0,1,0]=3 936 B9R1.41 Oc1ccsc1C(F)F 271570a_203496583355_100000733619 [0,2,0,0,0,0|1,1,0]=4 937 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,2,0,0,0,0|1,0,0]=3 938 B9R1.12 C#CCSc1cccs1 62a_100000038162_100011215356 [0,2,0,0,0,0|1,1,0]=4 939 B9R1.12 C#CCSc1cnco1 62a_100000038162_100020591547 [0,2,0,0,0,0|2,0,0]=4 940 B9R1.12 C#CCSc1ncco1 62a_100000038162_100011787736 [0,2,0,0,0,0|2,0,0]=4 941 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,2,0,0,0,0|1,0,0]=3 942 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,2,0,0,0,0|1,0,0]=3 943 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,2,0,0,0,0|1,1,0]=4 944 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,2,0,0,0,0|1,1,0]=4 945 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,2,0,0,0,0|2,0,0]=4 946 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,2,0,0,0,0|2,0,0]=4 947 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,2,0,0,0,0|2,0,0]=4 949 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,2,0,0,0,0|1,0,0]=3 950 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,2,0,0,0,0|1,1,0]=4 951 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,2,0,0,0,0|2,0,0]=4 952 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,2,0,0,0,0|1,0,0]=3 954 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,2,0,0,0,0|1,0,0]=3 955 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,2,0,0,0,0|1,1,0]=4 956 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,2,0,0,0,0|1,1,0]=4 957 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,2,0,0,0,0|2,0,0]=4 958 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,2,0,0,0,0|2,0,0]=4 959 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,2,0,0,0,0|2,0,0]=4 960 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,2,0,0,0,0|2,0,0]=4 961 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,2,0,0,0,0|1,0,0]=3 962 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,2,0,0,0,0|1,0,0]=3 963 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,2,0,0,0,0|1,0,0]=3 964 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,2,0,0,0,0|1,0,0]=3 965 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,2,0,0,0,0|1,1,0]=4 966 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,2,0,0,0,0|1,1,0]=4 967 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,2,0,0,0,0|1,1,0]=4 968 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,2,0,0,0,0|2,0,0]=4 969 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,2,0,0,0,0|2,0,0]=4 970 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,2,0,0,0,0|2,0,0]=4 971 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,2,0,0,0,0|0,1,0]=3 973 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,2,0,0,0,0|0,2,0]=4 974 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,2,0,0,0,0|1,1,0]=4 975 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,2,0,0,0,0|1,1,0]=4 976 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,2,0,0,0,0|1,1,0]=4 977 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,2,0,0,0,0|2,0,0]=4 978 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,2,0,0,0,0|2,0,0]=4 979 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,2,0,0,0,0|2,0,0]=4 980 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,2,0,0,0,0|2,0,0]=4 981 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,2,0,0,0,0|2,0,0]=4 982 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,2,0,0,0,0|2,0,0]=4 983 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,2,0,0,0,0|1,1,0]=4 986 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,2,0,0,0,0|1,1,0]=4 987 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,2,0,0,0,0|2,0,0]=4 990 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,2,0,0,0,0|2,0,0]=4 991 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,2,0,0,0,0|1,0,0]=3 992 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,2,0,0,0,0|1,1,0]=4 994 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,2,0,0,0,0|1,1,0]=4 995 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,2,0,0,0,0|1,0,0]=3 996 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,2,0,0,0,0|1,0,0]=3 997 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,2,0,0,0,0|1,1,0]=4 998 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,2,0,0,0,0|1,1,0]=4 999 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,2,0,0,0,0|1,1,0]=4 1000 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,2,0,0,0,0|1,1,0]=4 1001 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,2,0,0,0,0|1,1,0]=4 1002 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,2,0,0,0,0|0,2,0]=4 1003 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,2,0,0,0,0|0,2,0]=4 1004 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,2,0,0,0,0|0,2,0]=4 1005 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,2,0,0,0,0|0,1,0]=3 1006 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,2,0,0,0,0|0,1,0]=3 1007 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,2,0,0,0,0|0,2,0]=4 1008 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,2,0,0,0,0|0,2,0]=4 1009 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [0,2,0,0,0,0|1,1,0]=4 1010 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [0,2,0,0,0,0|1,1,0]=4 1011 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [0,2,0,0,0,0|1,1,0]=4 1012 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [0,2,0,0,0,0|1,1,0]=4 1013 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,2,0,0,0,0|2,0,0]=4 1014 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,2,0,0,0,0|0,1,0]=3 1016 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,2,0,0,0,0|0,1,0]=3 1017 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1020 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.12 CSCSc1c[nH]cn1 62a_100000756875_100011218213 [0,2,0,0,0,0|2,0,0]=4 1023 B9R1.12 CSCSc1c[nH]cn1 62a_100011218213_100000756875 [0,2,0,0,0,0|2,0,0]=4 1024 B9R1.12 CSCSc1cc[nH]n1 62a_100000062575_100011218213 [0,2,0,0,0,0|2,0,0]=4 1025 B9R1.12 CSCSc1cc[nH]n1 62a_100011218213_100000062575 [0,2,0,0,0,0|2,0,0]=4 1026 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,2,0,0,0,0|0,0,0]=2 1027 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,2,0,0,0,0|0,0,0]=2 1028 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,2,0,0,0,0|0,1,0]=3 1029 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,2,0,0,0,0|0,1,0]=3 1030 B9R1.12 CSCSc1ccoc1 62a_100011215275_100011218213 [0,2,0,0,0,0|2,0,0]=4 1031 B9R1.12 CSCSc1ccoc1 62a_100011218213_100011215275 [0,2,0,0,0,0|2,0,0]=4 1032 B9R1.12 CSCSc1ccon1 62a_100009818083_100011218213 [0,2,0,0,0,0|2,0,0]=4 1033 B9R1.12 CSCSc1ccon1 62a_100011218213_100009818083 [0,2,0,0,0,0|2,0,0]=4 1034 B9R1.12 CSCSc1ccsc1 62a_100000738268_100011218213 [0,2,0,0,0,0|2,0,0]=4 1035 B9R1.12 CSCSc1ccsc1 62a_100011218213_100000738268 [0,2,0,0,0,0|2,0,0]=4 1036 B9R1.12 CSCSc1ccsn1 62a_100009818082_100011218213 [0,2,0,0,0,0|2,0,0]=4 1037 B9R1.12 CSCSc1ccsn1 62a_100011218213_100009818082 [0,2,0,0,0,0|2,0,0]=4 1038 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [0,2,0,0,0,0|1,0,0]=3 1039 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.12 CSCSc1cncs1 62a_100011218213_100011934649 [0,2,0,0,0,0|1,1,0]=4 1041 B9R1.12 CSCSc1cncs1 62a_100011934649_100011218213 [0,2,0,0,0,0|1,1,0]=4 1042 B9R1.12 CSCSc1cscn1 62a_100000751502_100011218213 [0,2,0,0,0,0|2,0,0]=4 1043 B9R1.12 CSCSc1cscn1 62a_100011218213_100000751502 [0,2,0,0,0,0|2,0,0]=4 1044 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [0,2,0,0,0,0|2,0,0]=4 1045 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [0,2,0,0,0,0|2,0,0]=4 1046 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [0,2,0,0,0,0|1,0,0]=3 1047 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [0,2,0,0,0,0|1,0,0]=3 1048 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [0,2,0,0,0,0|1,1,0]=4 1049 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [0,2,0,0,0,0|1,1,0]=4 1050 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,2,0,0,0,0|1,0,0]=3 1051 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,2,0,0,0,0|1,0,0]=3 1052 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,2,0,0,0,0|1,1,0]=4 1053 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,2,0,0,0,0|1,1,0]=4 1054 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,2,0,0,0,0|2,0,0]=4 1055 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,2,0,0,0,0|2,0,0]=4 1056 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [0,2,0,0,0,0|2,0,0]=4 1057 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [0,2,0,0,0,0|2,0,0]=4 1058 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,2,0,0,0,0|0,1,0]=3 1060 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,2,0,0,0,0|0,2,0]=4 1061 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,2,0,0,0,0|1,1,0]=4 1062 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [0,2,0,0,0,0|1,1,0]=4 1063 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,2,0,0,0,0|2,0,0]=4 1064 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,2,0,0,0,0|2,0,0]=4 1066 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,2,0,0,0,0|2,0,0]=4 1067 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,2,0,0,0,0|2,0,0]=4 1068 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,2,0,0,0,0|2,0,0]=4 1070 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,2,0,0,0,0|2,0,0]=4 1071 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,2,0,0,0,0|1,1,0]=4 1072 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,2,0,0,0,0|1,1,0]=4 1073 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,2,0,0,0,0|2,0,0]=4 1075 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,2,0,0,0,0|2,0,0]=4 1076 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,2,0,0,0,0|2,0,0]=4 1077 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [0,2,0,0,0,0|1,0,0]=3 1078 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [0,2,0,0,0,0|1,0,0]=3 1079 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [0,2,0,0,0,0|1,1,0]=4 1080 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [0,2,0,0,0,0|1,1,0]=4 1081 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,2,0,0,0,0|1,0,0]=3 1082 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,2,0,0,0,0|1,0,0]=3 1083 B9R1.12 N#CCSc1cccs1 62a_100011215356_100011215382 [0,2,0,0,0,0|1,1,0]=4 1084 B9R1.12 N#CCSc1cccs1 62a_100011215382_100011215356 [0,2,0,0,0,0|1,1,0]=4 1085 B9R1.12 N#CCSc1cnco1 62a_100011215382_100020591547 [0,2,0,0,0,0|2,0,0]=4 1086 B9R1.12 N#CCSc1cnco1 62a_100020591547_100011215382 [0,2,0,0,0,0|2,0,0]=4 1087 B9R1.12 N#CCSc1ncco1 62a_100011215382_100011787736 [0,2,0,0,0,0|2,0,0]=4 1088 B9R1.12 N#CCSc1ncco1 62a_100011787736_100011215382 [0,2,0,0,0,0|2,0,0]=4 1089 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,2,0,0,0,0|0,1,0]=3 1090 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,2,0,0,0,0|0,1,0]=3 1091 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,2,0,0,0,0|0,2,0]=4 1092 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,2,0,0,0,0|0,2,0]=4 1093 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,2,0,0,0,0|1,1,0]=4 1094 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,2,0,0,0,0|1,1,0]=4 1095 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [0,2,0,0,0,0|1,1,0]=4 1096 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [0,2,0,0,0,0|1,1,0]=4 1097 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,2,0,0,0,0|0,1,0]=3 1098 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,2,0,0,0,0|0,1,0]=3 1099 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,2,0,0,0,0|0,2,0]=4 1100 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,2,0,0,0,0|0,2,0]=4 1101 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,2,0,0,0,0|1,1,0]=4 1102 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,2,0,0,0,0|1,1,0]=4 1103 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,2,0,0,0,0|1,1,0]=4 1104 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,2,0,0,0,0|1,1,0]=4 1105 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,2,0,0,0,0|1,0,0]=3 1106 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,2,0,0,0,0|1,0,0]=3 1107 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,2,0,0,0,0|1,1,0]=4 1108 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,2,0,0,0,0|1,1,0]=4 1109 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,2,0,0,0,0|0,2,0]=4 1110 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,2,0,0,0,0|0,2,0]=4 1111 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,2,0,0,0,0|2,0,0]=4 1112 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,2,0,0,0,0|2,0,0]=4 1113 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,2,0,0,0,0|0,1,0]=3 1114 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,2,0,0,0,0|0,1,0]=3 1115 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,2,0,0,0,0|2,0,0]=4 1117 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1118 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [0,2,0,0,0,0|2,0,0]=4 1119 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,2,0,0,0,0|1,0,1]=4 1120 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,2,0,0,0,0|1,1,0]=4 1121 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,2,0,0,0,0|0,1,0]=3 1122 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,2,0,0,0,0|0,2,0]=4 1123 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,2,0,0,0,0|1,1,0]=4 1124 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,2,0,0,0,0|1,0,0]=3 1125 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,2,0,0,0,0|1,0,0]=3 1126 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,2,0,0,0,0|1,1,0]=4 1127 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,2,0,0,0,0|1,1,0]=4 1128 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [0,2,0,0,0,0|2,0,0]=4 1129 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [0,2,0,0,0,0|2,0,0]=4 1130 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [0,2,0,0,0,0|2,0,0]=4 1131 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [0,2,0,0,0,0|2,0,0]=4 1132 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,2,0,0,0,0|1,0,0]=3 1133 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,2,0,0,0,0|1,0,0]=3 1134 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,2,0,0,0,0|1,0,0]=3 1135 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,2,0,0,0,0|1,1,0]=4 1136 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,2,0,0,0,0|1,1,0]=4 1137 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,2,0,0,0,0|1,1,0]=4 1138 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,2,0,0,0,0|2,0,0]=4 1139 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,2,0,0,0,0|2,0,0]=4 1140 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,2,0,0,0,0|2,0,0]=4 1141 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,2,0,0,0,0|2,0,0]=4 1142 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,2,0,0,0,0|1,0,0]=3 1143 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,2,0,0,0,0|1,0,0]=3 1144 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,2,0,0,0,0|1,1,0]=4 1145 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,2,0,0,0,0|1,1,0]=4 1146 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,2,0,0,0,0|1,1,0]=4 1147 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,2,0,0,0,0|0,1,0]=3 1148 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,2,0,0,0,0|0,2,0]=4 1149 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,2,0,0,0,0|1,1,0]=4 1150 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,2,0,0,0,0|1,1,0]=4 1151 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,2,0,0,0,0|1,1,0]=4 1152 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,2,0,0,0,0|1,1,0]=4 1153 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,2,0,0,0,0|2,0,0]=4 1154 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,2,0,0,0,0|2,0,0]=4 1155 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [0,2,0,0,0,0|1,0,0]=3 1156 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,2,0,0,0,0|1,0,0]=3 1157 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,2,0,0,0,0|1,0,0]=3 1158 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,2,0,0,0,0|1,1,0]=4 1159 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,2,0,0,0,0|1,1,0]=4 1160 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,2,0,0,0,0|1,1,0]=4 1161 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,2,0,0,0,0|1,1,0]=4 1162 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,2,0,0,0,0|1,1,0]=4 1163 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,2,0,0,0,0|1,1,0]=4 1164 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,2,0,0,0,0|1,1,0]=4 1165 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,2,0,0,0,0|1,1,0]=4 1166 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,2,0,0,0,0|1,1,0]=4 1167 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,2,0,0,0,0|1,1,0]=4 1168 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,2,0,0,0,0|1,1,0]=4 1169 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,2,0,0,0,0|0,1,0]=3 1170 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,2,0,0,0,0|0,1,0]=3 1171 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [0,2,0,0,0,0|1,1,0]=4 1172 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [0,2,0,0,0,0|1,1,0]=4 1173 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [0,2,0,0,0,0|1,1,0]=4 1174 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,2,0,0,0,0|0,2,0]=4 1175 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,2,0,0,0,0|0,2,0]=4 1176 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,2,0,0,0,0|0,2,0]=4 1177 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,2,0,0,0,0|0,2,0]=4 1178 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,2,0,0,0,0|0,2,0]=4 1179 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,2,0,0,0,0|2,0,0]=4 1181 B9R1.33 CSCc1ccsc1Br 62a_100009814289_200000210301 [0,2,0,0,0,0|2,0,0]=4 1182 B9R1.33 CSCc1ccsc1Br 62a_200000210301_100009814289 [0,2,0,0,0,0|2,0,0]=4 1183 B9R1.33 CSCc1ccsc1Cl 62a_100010167017_200000210301 [0,2,0,0,0,0|2,0,0]=4 1184 B9R1.33 CSCc1ccsc1Cl 62a_200000210301_100010167017 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.33 CSCc1nc[nH]c1C 62a_100000751220_200000210301 [0,2,0,0,0,0|2,0,0]=4 1186 B9R1.33 CSCc1nc[nH]c1C 62a_200000210301_100000751220 [0,2,0,0,0,0|2,0,0]=4 1187 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [0,2,0,0,0,0|2,0,0]=4 1188 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [0,2,0,0,0,0|2,0,0]=4 1189 B9R1.33 CSCc1ncoc1C 62a_200000210301_200000693990 [0,2,0,0,0,0|2,0,0]=4 1190 B9R1.33 CSCc1ncoc1C 62a_200000693990_200000210301 [0,2,0,0,0,0|2,0,0]=4 1191 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_100000751220_200025704644 [0,2,0,0,0,0|2,0,0]=4 1192 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_200025704644_100000751220 [0,2,0,0,0,0|2,0,0]=4 1193 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,2,0,0,0,0|0,1,0]=3 1194 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,2,0,0,0,0|0,1,0]=3 1195 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,2,0,0,0,0|1,1,0]=4 1196 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,2,0,0,0,0|1,1,0]=4 1197 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,2,0,0,0,0|0,2,0]=4 1198 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,2,0,0,0,0|0,2,0]=4 1199 B9R1.33 Cc1ccsc1SCF 62a_100010247149_100015361967 [0,2,0,0,0,0|1,1,0]=4 1200 B9R1.33 Cc1ccsc1SCF 62a_100015361967_100010247149 [0,2,0,0,0,0|1,1,0]=4 1201 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [0,2,0,0,0,0|1,1,0]=4 1202 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [0,2,0,0,0,0|1,1,0]=4 1203 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [0,2,0,0,0,0|1,1,0]=4 1204 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200000693990_200025704644 [0,2,0,0,0,0|2,0,0]=4 1205 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200025704644_200000693990 [0,2,0,0,0,0|2,0,0]=4 1206 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,2,0,0,0,0|2,0,0]=4 1207 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [0,2,0,0,0,0|2,0,0]=4 1208 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [0,2,0,0,0,0|2,0,0]=4 1209 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,2,0,0,0,0|2,0,0]=4 1210 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,2,0,0,0,0|2,0,0]=4 1211 B9R1.33 FCSc1sccc1Br 62a_100012361411_100015361967 [0,2,0,0,0,0|1,1,0]=4 1212 B9R1.33 FCSc1sccc1Br 62a_100015361967_100012361411 [0,2,0,0,0,0|1,1,0]=4 1213 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,2,0,0,0,0|1,1,0]=4 1214 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,2,0,0,0,0|1,1,0]=4 1215 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,2,0,0,0,0|0,2,0]=4 1216 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,2,0,0,0,0|0,2,0]=4 1217 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,2,0,0,0,0|0,2,0]=4 1218 B9R1.33 [13CH3]SCc1ccsc1Br 62a_100009814289_200025704644 [0,2,0,0,0,0|2,0,0]=4 1219 B9R1.33 [13CH3]SCc1ccsc1Br 62a_200025704644_100009814289 [0,2,0,0,0,0|2,0,0]=4 1220 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_100010167017_200025704644 [0,2,0,0,0,0|2,0,0]=4 1221 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_200025704644_100010167017 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [0,2,0,0,0,0|0,1,1]=4 1223 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [0,2,0,0,0,0|0,2,0]=4 1224 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,2,0,0,0,0|0,1,1]=4 1225 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,2,0,0,0,0|0,1,1]=4 1226 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [0,2,0,0,0,0|0,2,0]=4 1227 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [0,2,0,0,0,0|0,2,0]=4 1228 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,2,0,0,0,0|0,1,1]=4 1229 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,2,0,0,0,0|0,1,1]=4 1230 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [0,2,0,0,0,0|0,2,0]=4 1231 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [0,2,0,0,0,0|0,2,0]=4 1232 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,0,1,1,0,0|1,0,1]=4 1233 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,0,1,1,0,0|2,0,0]=4 1234 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,0,1,1,0,0|1,0,1]=4 1235 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,0,1,1,0,0|2,0,0]=4 1236 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,1,0,1,0,0|1,0,0]=3 1237 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [0,1,0,1,0,0|2,0,0]=4 1238 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,1,0,1,0,0|1,1,0]=4 1239 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [0,1,0,1,0,0|2,0,0]=4