0 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,1,0,0,0,0|2,0,1]=4 1 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,1,0,0,0,0|1,0,0]=2 2 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,1,0,0,0,0|3,0,0]=4 4 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,1,0,0,0,0|3,0,0]=4 5 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,1,0,0,0,0|3,0,0]=4 6 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,1,0,0,0,0|3,0,0]=4 7 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,1,0,0,0,0|2,0,0]=3 8 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,1,0,0,0,0|2,0,0]=3 10 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,1,0,0,0,0|2,0,0]=3 11 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,1,0,0,0,0|2,0,0]=3 12 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,1,0,0,0,0|2,0,0]=3 13 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,1,0,0,0,0|2,0,0]=3 14 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [0,1,0,0,0,0|0,0,0]=1 15 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [0,1,0,0,0,0|2,0,0]=3 17 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,1,0,0,0,0|2,0,0]=3 18 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,1,0,0,0,0|1,0,1]=3 20 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,0,1,0,0,0|2,0,1]=4 22 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,0,1,0,0,0|2,0,1]=4 23 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,0,1,0,0,0|2,0,1]=4 24 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,0,1,0,0,0|2,0,1]=4 25 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,0,1,0,0,0|2,0,1]=4 26 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,0,1,0,0,0|2,0,1]=4 27 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,0,1,0,0,0|2,0,1]=4 28 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,0,1,0,0,0|2,0,1]=4 29 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,1,1,0,0,0|1,0,1]=4 30 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,1,0,0,0|2,0,0]=4 31 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,1,0,0,0|2,0,0]=4 32 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,1,0,0,0,1|2,0,0]=4 33 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,1,0,0,0,1|2,0,0]=4 34 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,1,0,0,0,1|1,0,1]=4 35 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [0,1,0,0,0,1|2,0,0]=4 36 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [0,1,0,0,0,1|1,0,0]=3 37 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [0,1,0,0,0,1|1,0,1]=4 38 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [0,1,0,0,0,1|1,0,0]=3 39 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [0,1,0,0,0,1|1,0,0]=3 40 B7R1.3 Oc1cnnnc1 271570a_203496583355_100009846058 [0,1,0,0,0,1|1,0,1]=4 41 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [0,1,0,0,0,1|1,0,0]=3 42 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,2,0,0,0,0|1,0,0]=3 43 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,2,0,0,0,0|1,0,0]=3 44 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [0,2,0,0,0,0|2,0,0]=4 45 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,2,0,0,0,0|2,0,0]=4 47 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,2,0,0,0,0|2,0,0]=4 48 B7R1.1 C=Cc1cnoc1 271570a_100011290941_100009815712 [0,2,0,0,0,0|2,0,0]=4 49 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [0,2,0,0,0,0|2,0,0]=4 50 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [0,2,0,0,0,0|2,0,0]=4 51 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [0,2,0,0,0,0|0,0,0]=2 52 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [0,2,0,0,0,0|1,0,0]=3 53 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,2,0,0,0,0|2,0,0]=4 54 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [0,2,0,0,0,0|2,0,0]=4 55 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [0,2,0,0,0,0|1,0,1]=4 57 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [0,2,0,0,0,0|1,0,1]=4 59 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,2,0,0,0,0|1,0,0]=3 60 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [0,2,0,0,0,0|2,0,0]=4 62 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [0,2,0,0,0,0|2,0,0]=4 63 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,2,0,0,0,0|1,0,0]=3 65 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,2,0,0,0,0|2,0,0]=4 66 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,2,0,0,0,0|2,0,0]=4 68 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,2,0,0,0,0|2,0,0]=4 69 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [0,2,0,0,0,0|1,0,0]=3 70 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,2,0,0,0,0|2,0,0]=4 72 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,2,0,0,0,0|2,0,0]=4 73 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,2,0,0,0,0|2,0,0]=4 74 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,2,0,0,0,0|2,0,0]=4 76 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,2,0,0,0,0|2,0,0]=4 77 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,2,0,0,0,0|2,0,0]=4 78 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,2,0,0,0,0|2,0,0]=4 79 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,2,0,0,0,0|2,0,0]=4 80 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,2,0,0,0,0|2,0,0]=4 81 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [0,2,0,0,0,0|0,0,0]=2 82 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [0,2,0,0,0,0|0,0,0]=2 83 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,2,0,0,0,0|1,0,0]=3 84 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,2,0,0,0,0|1,0,0]=3 85 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,2,0,0,0,0|2,0,0]=4 86 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,2,0,0,0,0|2,0,0]=4 88 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,2,0,0,0,0|2,0,0]=4 89 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [0,2,0,0,0,0|1,0,0]=3 90 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [0,2,0,0,0,0|1,0,0]=3 91 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [0,2,0,0,0,0|1,0,1]=4 92 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [0,2,0,0,0,0|1,0,1]=4 93 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,2,0,0,0,0|1,0,0]=3 94 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,2,0,0,0,0|1,0,0]=3 95 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [0,2,0,0,0,0|2,0,0]=4 97 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,2,0,0,0,0|1,0,0]=3 98 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,2,0,0,0,0|2,0,0]=4 100 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,2,0,0,0,0|2,0,0]=4 101 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,2,0,0,0,0|2,0,0]=4 102 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,2,0,0,0,0|2,0,0]=4 103 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [0,2,0,0,0,0|1,0,0]=3 104 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [0,2,0,0,0,0|1,0,0]=3 105 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,2,0,0,0,0|2,0,0]=4 106 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,2,0,0,0,0|2,0,0]=4 107 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,2,0,0,0,0|2,0,0]=4 108 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,2,0,0,0,0|2,0,0]=4 109 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,2,0,0,0,0|2,0,0]=4 110 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,2,0,0,0,0|2,0,0]=4 111 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,2,0,0,0,0|2,0,0]=4 112 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,2,0,0,0,0|2,0,0]=4 113 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,2,0,0,0,0|2,0,0]=4 114 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,2,0,0,0,0|2,0,0]=4 115 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [0,2,0,0,0,0|0,0,0]=2 116 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [0,2,0,0,0,0|0,0,0]=2 117 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,2,0,0,0,0|1,0,0]=3 118 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,2,0,0,0,0|1,0,0]=3 119 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,2,0,0,0,0|2,0,0]=4 120 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,2,0,0,0,0|2,0,0]=4 121 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,2,0,0,0,0|2,0,0]=4 122 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,2,0,0,0,0|2,0,0]=4 123 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [0,2,0,0,0,0|1,0,0]=3 124 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [0,2,0,0,0,0|1,0,0]=3 125 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [0,2,0,0,0,0|1,0,1]=4 126 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [0,2,0,0,0,0|1,0,1]=4 127 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,2,0,0,0,0|1,0,0]=3 128 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,2,0,0,0,0|1,0,0]=3 129 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,2,0,0,0,0|2,0,0]=4 130 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,2,0,0,0,0|2,0,0]=4 131 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,2,0,0,0,0|2,0,0]=4 132 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,2,0,0,0,0|2,0,0]=4 133 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,2,0,0,0,0|2,0,0]=4 134 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,2,0,0,0,0|1,0,0]=3 135 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,2,0,0,0,0|2,0,0]=4 136 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,2,0,0,0,0|0,0,0]=2 137 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,2,0,0,0,0|1,0,0]=3 138 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,2,0,0,0,0|2,0,0]=4 139 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,2,0,0,0,0|1,0,1]=4 140 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,2,0,0,0,0|1,0,1]=4 141 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,2,0,0,0,0|1,0,0]=3 142 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [0,2,0,0,0,0|1,0,0]=3 143 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,2,0,0,0,0|1,0,0]=3 144 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,2,0,0,0,0|1,0,0]=3 145 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [0,2,0,0,0,0|2,0,0]=4 146 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,2,0,0,0,0|1,0,0]=3 147 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,2,0,0,0,0|1,0,0]=3 148 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [0,2,0,0,0,0|0,0,0]=2 149 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [0,2,0,0,0,0|2,0,0]=4 150 B7R1.2 Cn1nnc(n1)O 271570a_203496583355_200009870515 [0,2,0,0,0,0|1,0,0]=3 151 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,2,0,0,0,0|1,0,0]=3 152 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,2,0,0,0,0|2,0,0]=4 153 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,2,0,0,0,0|2,0,0]=4 154 B7R1.2 Nc1nc(n[nH]1)O 271570a_203496583355_100015184587 [0,2,0,0,0,0|0,0,0]=2 155 B7R1.2 Nc1nnc(s1)O 271570a_203496583355_100000738278 [0,2,0,0,0,0|1,0,1]=4 156 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,2,0,0,0,0|1,0,0]=3 157 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,2,0,0,0,0|2,0,0]=4 158 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,2,0,0,0,0|1,0,0]=3 159 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,2,0,0,0,0|1,0,0]=3 160 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,2,0,0,0,0|1,0,0]=3 161 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,2,0,0,0,0|2,0,0]=4 162 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,2,0,0,0,0|2,0,0]=4 163 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,2,0,0,0,0|2,0,0]=4 164 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,2,0,0,0,0|1,0,0]=3 165 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,2,0,0,0,0|1,0,0]=3 166 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,2,0,0,0,0|1,0,0]=3 167 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [0,2,0,0,0,0|0,0,0]=2 168 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,2,0,0,0,0|1,0,0]=3 169 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,2,0,0,0,0|1,0,0]=3 170 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,2,0,0,0,0|2,0,0]=4 171 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,2,0,0,0,0|1,0,0]=3 172 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,2,0,0,0,0|1,0,0]=3 173 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,2,0,0,0,0|1,0,0]=3 174 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,2,0,0,0,0|1,0,0]=3