0 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [0,1,0,0,0,0|0,0,1]=2 21 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.1 C=Cc1cnoc1 271570a_100011290941_100009815712 [0,1,0,0,0,0|1,0,1]=3 24 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [0,1,0,0,0,0|1,0,1]=3 25 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [0,1,0,0,0,0|0,0,0]=1 48 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [0,1,0,0,0,0|0,0,0]=1 49 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,1,0,0,0,0|1,0,0]=2 56 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [0,1,0,0,0,0|0,0,0]=1 86 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [0,1,0,0,0,0|0,0,0]=1 87 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,1,0,0,0,0|1,0,0]=2 92 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,1,0,0,0,0|1,0,0]=2 94 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,1,0,0,0,0|1,0,0]=2 95 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,0,0,0|2,0,0]=3 104 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,0,0,0|3,0,0]=4 107 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,1,0,0,0,0|1,0,0]=2 109 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,1,0,0,0,0|1,0,0]=2 110 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,1,0,0,0,0|3,0,0]=4 119 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.2 Cn1nnc(n1)O 271570a_203496583355_200009870515 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,1,0,0,0,0|0,0,0]=1 131 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,1,0,0,0,0|1,0,0]=2 134 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,1,0,0,0,0|1,0,0]=2 143 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,1,0,0,0,0|1,0,0]=2 144 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,1,0,0,0,0|1,0,0]=2 147 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,1,0,0,0,0|1,0,0]=2 148 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,1,0,0,0,0|1,0,0]=2 150 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,1,0,0,0|1,0,1]=3 152 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,1,0,0,0|1,0,1]=3 153 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,1,0,0,0|1,0,1]=3 154 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,1,0,0,0|2,0,1]=4 155 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,1,0,0,0|2,0,1]=4 156 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,1,0,0,0|2,0,1]=4 157 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,1,0,0,0|2,0,1]=4 158 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,1,0,0,0|2,0,1]=4 159 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,1,0,0,0|2,0,1]=4 160 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,1,0,0,0|2,0,1]=4 161 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,1,0,0,0|2,0,1]=4 162 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,1,0,0,0|2,0,1]=4 163 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,1,0,0,0|2,0,1]=4 164 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,1,0,0,0|3,0,0]=4 165 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,1,0,0,0|3,0,0]=4 166 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,1,0,0,0|3,0,0]=4 167 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,1,0,0,0|3,0,0]=4 168 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,1,0,0,0|3,0,0]=4 169 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,1,0,0,0|3,0,0]=4 170 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,1,0,0,0|3,0,0]=4 171 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,1,0,0,0|3,0,0]=4 172 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,1,0,0,0|3,0,0]=4 173 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,1,0,0,0|1,0,1]=3 174 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,1,0,0,0|1,0,1]=3 175 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,1,0,0,0|2,0,1]=4 176 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,1,0,0,0|2,0,1]=4 177 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,1,0,0,0|2,0,1]=4 178 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,1,0,0,0|2,0,1]=4 179 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,1,0,0,0|2,0,1]=4 180 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,1,0,0,0|2,0,1]=4 181 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,1,0,0,0|2,0,1]=4 182 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,1,0,0,0|1,0,1]=3 183 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,1,0,0,0|1,0,1]=3 184 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,1,0,0,0|1,0,1]=3 185 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,1,0,0,0|2,0,1]=4 186 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,1,0,0,0|2,0,1]=4 187 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,1,0,0,0|2,0,1]=4 188 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,1,0,0,0|2,0,1]=4 189 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,1,0,0,0|2,0,1]=4 190 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,1,0,0,0|2,0,1]=4 191 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,0,0,0,0,1|3,0,0]=4 192 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,0,0,0,0,1|3,0,0]=4 193 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,0,0,0,0,1|2,0,0]=3 194 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,0,0,0,0,1|3,0,0]=4 195 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [0,0,0,0,0,1|2,0,0]=3 196 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [0,0,0,0,0,1|2,0,0]=3 197 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [0,0,0,0,0,1|1,0,1]=3 198 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [0,0,0,0,0,1|2,0,0]=3 199 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [0,0,0,0,0,1|1,0,1]=3 200 B7R1.3 Oc1cnnnc1 271570a_203496583355_100009846058 [0,0,0,0,0,1|1,0,1]=3 201 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,1,0,0,0|2,0,0]=4 202 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,1,0,0,0|2,0,0]=4 203 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,1,0,0,0|2,0,0]=4 204 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,1,0,0,0|2,0,0]=4 205 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,1,0,0,0|2,0,0]=4 206 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,1,0,0,0|2,0,0]=4 207 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,1,0,0,0|1,0,1]=4 208 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,1,0,0,0|1,0,1]=4 209 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,1,0,0,0|1,0,1]=4 210 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,1,0,0,0|1,0,1]=4 211 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,1,0,0,0|1,0,1]=4 212 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,1,0,0,0|1,0,1]=4 213 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,1,0,0,0|1,0,1]=4 214 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,1,0,0,0|1,0,1]=4 215 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,1,0,0,0|1,0,1]=4 216 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,1,0,0,0|1,0,1]=4 217 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,1,0,0,0|1,0,1]=4 218 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,1,0,0,0|2,0,0]=4 219 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,1,0,0,0|2,0,0]=4 220 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,1,0,0,0|2,0,0]=4 221 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,1,0,0,0|2,0,0]=4 222 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,1,0,0,0|1,0,0]=3 223 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,1,0,0,0|1,0,0]=3 224 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,1,0,0,0|1,0,1]=4 225 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,1,1,0,0,0|2,0,0]=4 226 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,1,1,0,0,0|2,0,0]=4 227 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,1,1,0,0,0|2,0,0]=4 229 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,1,0,0,0|2,0,0]=4 230 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,1,0,0,0|2,0,0]=4 231 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,1,0,0,0|1,0,1]=4 232 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,1,0,0,0|1,0,1]=4 233 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,1,0,0,0|1,0,1]=4 234 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,1,0,0,0|1,0,1]=4 235 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,1,0,0,0|1,0,1]=4 236 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,1,0,0,0|1,0,1]=4 237 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,1,0,0,0|1,0,1]=4 238 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,1,0,0,0|1,0,1]=4 239 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,1,0,0,0|1,0,1]=4 240 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,1,1,0,0,0|1,0,1]=4 241 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,1,1,0,0,0|1,0,1]=4 242 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,1,1,0,0,0|1,0,1]=4 243 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,1,0,0,0|1,0,1]=4 244 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,1,1,0,0,0|0,0,2]=4 245 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,1,1,0,0,0|0,0,2]=4 246 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,1,0,0,0,1|1,0,1]=4 247 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [0,1,0,0,0,1|1,0,1]=4 248 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,1,0,0,0,1|1,0,1]=4 249 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [0,1,0,0,0,1|0,0,2]=4 250 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,1,0,0,0,1|1,0,1]=4 251 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [0,1,0,0,0,1|0,0,2]=4 252 B8R1.2 C=Cc1cnnnc1 271570a_100011290941_100009846058 [0,1,0,0,0,1|0,0,2]=4 253 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,1,0,0,0,1|1,0,0]=3 256 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,1,0,0,0,1|1,0,0]=3 257 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,1,0,0,0,1|1,0,0]=3 260 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,1,0,0,0,1|1,0,0]=3 261 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,1,0,0,0,1|1,0,0]=3 262 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [0,1,0,0,0,1|0,0,1]=3 263 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [0,1,0,0,0,1|0,0,1]=3 264 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,1,0,0,0,1|2,0,0]=4 265 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,1,0,0,0,1|2,0,0]=4 266 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,1,0,0,0,1|1,0,0]=3 270 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,1,0,0,0,1|1,0,0]=3 273 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,1,0,0,0,1|1,0,0]=3 274 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,1,0,0,0,1|1,0,0]=3 275 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,1,0,0,0,1|1,0,0]=3 276 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [0,1,0,0,0,1|0,0,1]=3 277 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [0,1,0,0,0,1|0,0,1]=3 278 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,1,0,0,0,1|1,0,0]=3 279 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,1,0,0,0,1|1,0,0]=3 280 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [0,1,0,0,0,1|0,0,1]=3 281 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [0,1,0,0,0,1|0,0,1]=3 282 B8R1.2 CSc1cnnnc1 62a_100009846058_200000210301 [0,1,0,0,0,1|0,0,1]=3 283 B8R1.2 CSc1cnnnc1 62a_200000210301_100009846058 [0,1,0,0,0,1|0,0,1]=3 284 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [0,1,0,0,0,1|0,0,1]=3 291 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [0,1,0,0,0,1|0,0,1]=3 292 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,1,0,0,0,1|1,0,0]=3 297 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,1,0,0,0,1|1,0,0]=3 298 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,1,0,0,0,1|2,0,0]=4 299 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,1,0,0,0,1|1,0,0]=3 301 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,1,0,0,0,1|1,0,0]=3 302 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,1,0,0,0,1|1,0,0]=3 304 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [0,1,0,0,0,1|0,0,1]=3 305 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [0,1,0,0,0,1|0,0,1]=3 306 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,1,0,0,0,1|1,0,0]=3 307 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,1,0,0,0,1|1,0,0]=3 308 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [0,1,0,0,0,1|0,0,1]=3 309 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [0,1,0,0,0,1|0,0,1]=3 310 B8R1.2 [13CH3]Sc1cnnnc1 62a_100009846058_200025704644 [0,1,0,0,0,1|0,0,1]=3 311 B8R1.2 [13CH3]Sc1cnnnc1 62a_200025704644_100009846058 [0,1,0,0,0,1|0,0,1]=3 312 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,0,0,1|1,0,1]=4 313 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,0,0,1|1,0,1]=4 314 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,0,0,1|1,0,1]=4 315 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,0,0,1|1,0,1]=4 316 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,0,0,1|1,0,1]=4 317 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,0,0,1|1,0,1]=4 318 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,1,0,0,0,1|2,0,0]=4 320 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,1,0,0,0,1|1,0,0]=3 321 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,1,0,0,0,1|1,0,0]=3 323 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,1,0,0,0,1|0,0,1]=3 324 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [0,1,0,0,0,1|1,0,1]=4 325 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.3 Nc1cnc(cn1)O 271570a_203496583355_100000761932 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.3 Nc1cnc(nc1)O 271570a_203496583355_100000068403 [0,1,0,0,0,1|1,0,1]=4 329 B8R1.3 Nc1ncc(cn1)O 271570a_203496583355_100000760574 [0,1,0,0,0,1|1,0,1]=4 330 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [0,1,0,0,0,1|1,0,0]=3 332 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.3 Oc1cnc(cn1)F 271570a_203496583355_100009856528 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.3 Oc1cnc(nc1)Br 271570a_203496583355_200012349914 [0,1,0,0,0,1|1,0,1]=4 341 B8R1.3 Oc1cnc(nc1)F 271570a_203496583355_100000685262 [0,1,0,0,0,1|1,0,1]=4 342 B8R1.3 Oc1cnc(nc1)O 271570a_203496583355_100000730009 [0,1,0,0,0,1|1,0,1]=4 343 B8R1.3 Oc1ncc(cn1)Br 271570a_203496583355_100000690281 [0,1,0,0,0,1|1,0,1]=4 344 B8R1.3 Oc1ncc(cn1)Cl 271570a_203496583355_100011356929 [0,1,0,0,0,1|1,0,1]=4 345 B8R1.3 Oc1ncc(cn1)F 271570a_203496583355_100000685220 [0,1,0,0,0,1|1,0,1]=4 346 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,0,0,1|1,0,1]=4 347 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,0,0,1|1,0,1]=4 348 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,0,0,1|1,0,1]=4 349 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,0,0,1|1,0,1]=4 350 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,0,0,1|1,0,1]=4 351 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,0,0,1|1,0,1]=4 352 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,1,0,0,0,1|1,0,0]=3 354 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,1,0,0,0,1|1,0,0]=3 357 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,1,0,0,0,1|1,0,0]=3 358 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,1,0,0,0,1|1,0,0]=3 359 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,1,0,0,0,1|1,0,0]=3 360 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,1,0,0,0,1|0,0,1]=3 361 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,1,0,0,0,1|2,0,0]=4 362 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,1,0,0,0,1|2,0,0]=4 363 B8R1.4 Nc1cc(cnn1)O 271570a_203496583355_100000130277 [0,1,0,0,0,1|1,0,1]=4 364 B8R1.4 Nc1cc(ncn1)O 271570a_203496583355_100000701291 [0,1,0,0,0,1|2,0,0]=4 365 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,1,0,0,0,1|2,0,0]=4 366 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,1,0,0,0,1|2,0,0]=4 367 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,1,0,0,0,1|2,0,0]=4 368 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [0,1,0,0,0,1|1,0,0]=3 372 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.4 Oc1cc(ncn1)F 271570a_203496583355_200009880791 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,1,0,0,0,1|2,0,0]=4 381 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,1,0,0,0,1|2,0,0]=4 387 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.4 Oc1cnnc(c1)O 271570a_203496583355_200010734679 [0,1,0,0,0,1|1,0,1]=4 389 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,1,0,0,0,1|1,0,0]=3 391 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,1,0,0,0,1|1,0,0]=3 392 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [0,1,0,0,0,1|0,0,1]=3 393 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,1,0,0,0,1|1,0,0]=3 394 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [0,1,0,0,0,1|0,0,1]=3 395 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,1,0,0,0,1|1,0,0]=3 397 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [0,1,0,0,0,1|1,0,0]=3 398 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,1,0,0,0,1|1,0,1]=4 402 B8R1.5 Nc1cnncc1O 271570a_203496583355_100009829405 [0,1,0,0,0,1|1,0,1]=4 403 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.5 Nc1ncncc1O 271570a_203496583355_100011996079 [0,1,0,0,0,1|1,0,1]=4 406 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.5 Oc1cncnc1Br 271570a_203496583355_200012461658 [0,1,0,0,0,1|1,0,1]=4 423 B8R1.5 Oc1cncnc1Cl 271570a_203496583355_100000758962 [0,1,0,0,0,1|1,0,1]=4 424 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [0,1,0,0,0,1|1,0,1]=4 425 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.5 Oc1nccnc1F 271570a_203496583355_200010125657 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.5 Oc1ncncc1F 271570a_203496583355_100000069762 [0,1,0,0,0,1|1,0,1]=4 430 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,2,0,0,0,0|2,0,0]=4 432 B8R1.1 C=Cc1cn(cn1)C 271570a_100011290941_100000040308 [0,2,0,0,0,0|2,0,0]=4 433 B8R1.1 C=Cc1cn(nn1)C 271570a_100011290941_100000760339 [0,2,0,0,0,0|1,0,1]=4 434 B8R1.1 C=Cc1cnn(c1)C 271570a_100011290941_100000748075 [0,2,0,0,0,0|0,0,1]=3 435 B8R1.1 C=Cc1cnn(n1)C 271570a_100011290941_100000733932 [0,2,0,0,0,0|1,0,1]=4 436 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [0,2,0,0,0,0|2,0,0]=4 437 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.1 C=Cn1cc(cn1)O 271570a_203496583355_100009816630 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [0,2,0,0,0,0|2,0,0]=4 442 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,2,0,0,0,0|2,0,0]=4 443 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [0,2,0,0,0,0|0,0,0]=2 444 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,2,0,0,0,0|2,0,0]=4 445 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,2,0,0,0,0|2,0,0]=4 446 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,2,0,0,0,0|2,0,0]=4 448 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [0,2,0,0,0,0|2,0,0]=4 449 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,2,0,0,0,0|2,0,0]=4 451 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,2,0,0,0,0|2,0,0]=4 452 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,2,0,0,0,0|2,0,0]=4 456 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,2,0,0,0,0|2,0,0]=4 458 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.1 CSc1cn(cn1)C 62a_100000040308_200000210301 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.1 CSc1cn(cn1)C 62a_200000210301_100000040308 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.1 CSc1cn(nn1)C 62a_100000760339_200000210301 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.1 CSc1cn(nn1)C 62a_200000210301_100000760339 [0,2,0,0,0,0|1,0,0]=3 464 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [0,2,0,0,0,0|2,0,0]=4 465 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [0,2,0,0,0,0|2,0,0]=4 466 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,2,0,0,0,0|2,0,0]=4 467 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,2,0,0,0,0|2,0,0]=4 468 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.1 CSc1cnn(c1)C 62a_100000745744_200000210301 [0,2,0,0,0,0|0,0,0]=2 471 B8R1.1 CSc1cnn(c1)C 62a_200000210301_100000745744 [0,2,0,0,0,0|0,0,0]=2 472 B8R1.1 CSc1cnn(n1)C 62a_100000733932_200000210301 [0,2,0,0,0,0|1,0,0]=3 473 B8R1.1 CSc1cnn(n1)C 62a_200000210301_100000733932 [0,2,0,0,0,0|1,0,0]=3 474 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,2,0,0,0,0|2,0,0]=4 476 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.1 CSc1nnn(n1)C 62a_200000210301_200009870515 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.1 CSc1nnn(n1)C 62a_200009870515_200000210301 [0,2,0,0,0,0|2,0,0]=4 482 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,2,0,0,0,0|2,0,0]=4 484 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,2,0,0,0,0|2,0,0]=4 487 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.1 Cc1cn(nn1)CF 274090a_100015361967_200000242740 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,2,0,0,0,0|2,0,0]=4 497 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [0,2,0,0,0,0|0,0,0]=2 502 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_100000745744_200025704644 [0,2,0,0,0,0|0,0,0]=2 503 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_200025704644_100000745744 [0,2,0,0,0,0|0,0,0]=2 504 B8R1.1 Cn1cc(nn1)CBr 274090a_200000210301_100000184674 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.1 Cn1cc(nn1)CCl 274090a_200000210301_100000038162 [0,2,0,0,0,0|1,0,0]=3 506 B8R1.1 Cn1cc(nn1)CN 274090a_200000210301_100000212058 [0,2,0,0,0,0|1,0,0]=3 507 B8R1.1 Cn1cc(nn1)CO 274090a_200000210301_100000210247 [0,2,0,0,0,0|1,0,0]=3 508 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_100000760339_200025704644 [0,2,0,0,0,0|1,0,0]=3 509 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_200025704644_100000760339 [0,2,0,0,0,0|1,0,0]=3 510 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_100000040308_200025704644 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_200025704644_100000040308 [0,2,0,0,0,0|2,0,0]=4 515 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_100000733932_200025704644 [0,2,0,0,0,0|1,0,0]=3 516 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_200025704644_100000733932 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.1 Cn1nnc(n1)S[13CH3] 62a_200009870515_200025704644 [0,2,0,0,0,0|2,0,0]=4 518 B8R1.1 Cn1nnc(n1)S[13CH3] 62a_200025704644_200009870515 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,2,0,0,0,0|1,0,1]=4 522 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [0,2,0,0,0,0|2,0,0]=4 526 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [0,2,0,0,0,0|2,0,0]=4 529 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,2,0,0,0,0|2,0,0]=4 530 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,2,0,0,0,0|2,0,0]=4 531 B8R1.1 [13CH3]n1cc(nn1)CBr 274090a_200025704644_100000184674 [0,2,0,0,0,0|1,0,0]=3 532 B8R1.1 [13CH3]n1cc(nn1)CCl 274090a_200025704644_100000038162 [0,2,0,0,0,0|1,0,0]=3 533 B8R1.1 [13CH3]n1cc(nn1)CN 274090a_200025704644_100000212058 [0,2,0,0,0,0|1,0,0]=3 534 B8R1.1 [13CH3]n1cc(nn1)CO 274090a_200025704644_100000210247 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,2,0,0,0,0|2,0,0]=4 536 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,2,0,0,0,0|2,0,0]=4 537 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,2,0,0,0,0|2,0,0]=4 538 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,2,0,0,0,0|2,0,0]=4 539 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,2,0,0,0,0|0,0,0]=2 540 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,2,0,0,0,0|2,0,0]=4 541 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,2,0,0,0,0|1,0,0]=3 543 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,2,0,0,0,0|1,0,0]=3 544 B8R1.8 C=C=Cc1cn[nH]c1 271570a_100015277604_100000238712 [0,2,0,0,0,0|0,0,1]=3 545 B8R1.8 C=C=Cc1cnoc1 271570a_100015277604_100009815712 [0,2,0,0,0,0|1,0,1]=4 546 B8R1.8 C=C=Cc1cnsc1 271570a_100015277604_100009815736 [0,2,0,0,0,0|1,0,1]=4 547 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [0,2,0,0,0,0|2,0,0]=4 548 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [0,2,0,0,0,0|2,0,0]=4 549 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [0,2,0,0,0,0|2,0,0]=4 550 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [0,2,0,0,0,0|2,0,0]=4 551 B8R1.8 CC=Cc1cn[nH]c1 271570a_100016259895_100000238712 [0,2,0,0,0,0|0,0,0]=2 552 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,2,0,0,0,0|2,0,0]=4 554 B8R1.8 CC=Cc1cnoc1 271570a_100016259895_100009815712 [0,2,0,0,0,0|1,0,0]=3 555 B8R1.8 CC=Cc1cnsc1 271570a_100016259895_100009815736 [0,2,0,0,0,0|1,0,0]=3 556 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,2,0,0,0,0|2,0,0]=4 557 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,2,0,0,0,0|2,0,0]=4 559 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,2,0,0,0,0|2,0,0]=4 560 B8R1.8 CCSc1c[nH]nn1 62a_100000210202_100009819707 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.8 CCSc1c[nH]nn1 62a_100009819707_100000210202 [0,2,0,0,0,0|1,0,0]=3 562 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,2,0,0,0,0|2,0,0]=4 563 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,2,0,0,0,0|2,0,0]=4 564 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,2,0,0,0,0|2,0,0]=4 568 B8R1.8 CCSc1cn[nH]c1 62a_100000210202_100000238712 [0,2,0,0,0,0|0,0,0]=2 569 B8R1.8 CCSc1cn[nH]c1 62a_100000238712_100000210202 [0,2,0,0,0,0|0,0,0]=2 570 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,2,0,0,0,0|2,0,0]=4 571 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,2,0,0,0,0|2,0,0]=4 572 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,2,0,0,0,0|2,0,0]=4 573 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.8 CCSc1cnoc1 62a_100000210202_100009815712 [0,2,0,0,0,0|1,0,0]=3 575 B8R1.8 CCSc1cnoc1 62a_100009815712_100000210202 [0,2,0,0,0,0|1,0,0]=3 576 B8R1.8 CCSc1cnsc1 62a_100000210202_100009815736 [0,2,0,0,0,0|1,0,0]=3 577 B8R1.8 CCSc1cnsc1 62a_100009815736_100000210202 [0,2,0,0,0,0|1,0,0]=3 578 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,2,0,0,0,0|2,0,0]=4 579 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,2,0,0,0,0|2,0,0]=4 580 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,2,0,0,0,0|2,0,0]=4 581 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,2,0,0,0,0|2,0,0]=4 583 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,2,0,0,0,0|2,0,0]=4 584 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,2,0,0,0,0|2,0,0]=4 585 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,2,0,0,0,0|2,0,0]=4 586 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,2,0,0,0,0|2,0,0]=4 587 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,2,0,0,0,0|2,0,0]=4 588 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,2,0,0,0,0|2,0,0]=4 589 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,2,0,0,0,0|2,0,0]=4 590 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,2,0,0,0,0|2,0,0]=4 591 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,2,0,0,0,0|2,0,0]=4 594 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,2,0,0,0,0|2,0,0]=4 596 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,2,0,0,0,0|0,0,0]=2 597 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,2,0,0,0,0|0,0,0]=2 598 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,2,0,0,0,0|2,0,0]=4 601 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,2,0,0,0,0|2,0,0]=4 602 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,2,0,0,0,0|2,0,0]=4 606 B8R1.8 CNCc1csnn1 270004a_106832991635_100000738508 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,2,0,0,0,0|2,0,0]=4 608 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,2,0,0,0,0|2,0,0]=4 611 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,2,0,0,0,0|2,0,0]=4 613 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,2,0,0,0,0|2,0,0]=4 614 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,2,0,0,0,0|2,0,0]=4 615 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,2,0,0,0,0|2,0,0]=4 616 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,2,0,0,0,0|2,0,0]=4 617 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,2,0,0,0,0|2,0,0]=4 618 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,2,0,0,0,0|2,0,0]=4 619 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,2,0,0,0,0|2,0,0]=4 620 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,2,0,0,0,0|2,0,0]=4 621 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,2,0,0,0,0|2,0,0]=4 623 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.8 FCSc1c[nH]nn1 62a_100009819707_100015361967 [0,2,0,0,0,0|1,0,0]=3 627 B8R1.8 FCSc1c[nH]nn1 62a_100015361967_100009819707 [0,2,0,0,0,0|1,0,0]=3 628 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.8 FCSc1cn[nH]c1 62a_100000238712_100015361967 [0,2,0,0,0,0|0,0,0]=2 635 B8R1.8 FCSc1cn[nH]c1 62a_100015361967_100000238712 [0,2,0,0,0,0|0,0,0]=2 636 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.8 FCSc1cnoc1 62a_100009815712_100015361967 [0,2,0,0,0,0|1,0,0]=3 641 B8R1.8 FCSc1cnoc1 62a_100015361967_100009815712 [0,2,0,0,0,0|1,0,0]=3 642 B8R1.8 FCSc1cnsc1 62a_100009815736_100015361967 [0,2,0,0,0,0|1,0,0]=3 643 B8R1.8 FCSc1cnsc1 62a_100015361967_100009815736 [0,2,0,0,0,0|1,0,0]=3 644 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,2,0,0,0,0|2,0,0]=4 646 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,2,0,0,0,0|2,0,0]=4 649 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,2,0,0,0,0|2,0,0]=4 657 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,2,0,0,0,0|2,0,0]=4 658 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.11 C=Cc1c[nH]nc1Br 271570a_100011290941_100011012988 [0,2,0,0,0,0|0,0,1]=3 661 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [0,2,0,0,0,0|0,0,1]=3 662 B8R1.11 C=Cc1c[nH]nc1F 271570a_100011290941_100015597042 [0,2,0,0,0,0|0,0,1]=3 663 B8R1.11 C=Cc1c[nH]nc1N 271570a_100011290941_100000717100 [0,2,0,0,0,0|0,0,1]=3 664 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.11 C=Cc1cnoc1C 271570a_100011290941_100009872056 [0,2,0,0,0,0|1,0,1]=4 666 B8R1.11 C=Cc1conc1N 271570a_100011290941_100012597345 [0,2,0,0,0,0|1,0,1]=4 667 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [0,2,0,0,0,0|2,0,0]=4 668 B8R1.11 C=Cc1n[nH]cc1Br 271570a_100011290941_100015839836 [0,2,0,0,0,0|1,0,0]=3 669 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [0,2,0,0,0,0|0,0,0]=2 670 B8R1.11 C=Cc1n[nH]cc1N 271570a_100011290941_100010894806 [0,2,0,0,0,0|1,0,0]=3 671 B8R1.11 C=Cc1nc[nH]c1C 271570a_100011290941_100009816806 [0,2,0,0,0,0|2,0,0]=4 672 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [0,2,0,0,0,0|2,0,0]=4 673 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [0,2,0,0,0,0|2,0,0]=4 674 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,2,0,0,0,0|2,0,0]=4 675 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,2,0,0,0,0|2,0,0]=4 676 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,2,0,0,0,0|2,0,0]=4 677 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,2,0,0,0,0|2,0,0]=4 678 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,2,0,0,0,0|2,0,0]=4 679 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,2,0,0,0,0|1,0,0]=3 680 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [0,2,0,0,0,0|2,0,0]=4 681 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [0,2,0,0,0,0|2,0,0]=4 682 B8R1.11 CSc1c[nH]nc1Br 62a_100011012988_200000210301 [0,2,0,0,0,0|0,0,0]=2 683 B8R1.11 CSc1c[nH]nc1Br 62a_200000210301_100011012988 [0,2,0,0,0,0|0,0,0]=2 684 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [0,2,0,0,0,0|0,0,0]=2 685 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [0,2,0,0,0,0|0,0,0]=2 686 B8R1.11 CSc1c[nH]nc1F 62a_100015597042_200000210301 [0,2,0,0,0,0|0,0,0]=2 687 B8R1.11 CSc1c[nH]nc1F 62a_200000210301_100015597042 [0,2,0,0,0,0|0,0,0]=2 688 B8R1.11 CSc1c[nH]nc1N 62a_100000717100_200000210301 [0,2,0,0,0,0|0,0,0]=2 689 B8R1.11 CSc1c[nH]nc1N 62a_200000210301_100000717100 [0,2,0,0,0,0|0,0,0]=2 690 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,2,0,0,0,0|2,0,0]=4 691 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,2,0,0,0,0|2,0,0]=4 693 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,2,0,0,0,0|1,0,0]=3 697 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,2,0,0,0,0|1,0,0]=3 698 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [0,2,0,0,0,0|1,0,0]=3 699 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [0,2,0,0,0,0|1,0,0]=3 700 B8R1.11 CSc1cscc1Br 62a_100010143727_200000210301 [0,2,0,0,0,0|2,0,0]=4 701 B8R1.11 CSc1cscc1Br 62a_200000210301_100010143727 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,2,0,0,0,0|2,0,0]=4 703 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,2,0,0,0,0|2,0,0]=4 704 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [0,2,0,0,0,0|1,0,0]=3 705 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [0,2,0,0,0,0|1,0,0]=3 706 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,2,0,0,0,0|0,0,0]=2 707 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,2,0,0,0,0|0,0,0]=2 708 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [0,2,0,0,0,0|1,0,0]=3 709 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [0,2,0,0,0,0|1,0,0]=3 710 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,2,0,0,0,0|2,0,0]=4 712 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,2,0,0,0,0|2,0,0]=4 713 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,2,0,0,0,0|2,0,0]=4 714 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,2,0,0,0,0|2,0,0]=4 715 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,2,0,0,0,0|2,0,0]=4 718 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,2,0,0,0,0|2,0,0]=4 720 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,2,0,0,0,0|2,0,0]=4 721 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,2,0,0,0,0|0,0,0]=2 723 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,2,0,0,0,0|0,0,0]=2 724 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,2,0,0,0,0|2,0,0]=4 726 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [0,2,0,0,0,0|0,0,0]=2 729 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [0,2,0,0,0,0|0,0,0]=2 730 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,2,0,0,0,0|2,0,0]=4 731 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,2,0,0,0,0|2,0,0]=4 732 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,2,0,0,0,0|1,0,0]=3 733 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,2,0,0,0,0|1,0,0]=3 734 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,2,0,0,0,0|2,0,0]=4 735 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,2,0,0,0,0|2,0,0]=4 736 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,2,0,0,0,0|2,0,0]=4 737 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,2,0,0,0,0|2,0,0]=4 738 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,2,0,0,0,0|2,0,0]=4 740 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,2,0,0,0,0|2,0,0]=4 743 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,2,0,0,0,0|2,0,0]=4 744 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,2,0,0,0,0|2,0,0]=4 745 B8R1.11 N#Cc1cn[nH]c1O 271570a_203496583355_100010888374 [0,2,0,0,0,0|0,0,1]=3 746 B8R1.11 N#Cc1n[nH]cc1O 271570a_203496583355_100009813407 [0,2,0,0,0,0|1,0,0]=3 747 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,2,0,0,0,0|2,0,0]=4 748 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,2,0,0,0,0|2,0,0]=4 749 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,2,0,0,0,0|2,0,0]=4 750 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,2,0,0,0,0|2,0,0]=4 751 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [0,2,0,0,0,0|2,0,0]=4 752 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [0,2,0,0,0,0|2,0,0]=4 753 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_100011012988_200025704644 [0,2,0,0,0,0|0,0,0]=2 754 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_200025704644_100011012988 [0,2,0,0,0,0|0,0,0]=2 755 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_100015597042_200025704644 [0,2,0,0,0,0|0,0,0]=2 756 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_200025704644_100015597042 [0,2,0,0,0,0|0,0,0]=2 757 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_100000717100_200025704644 [0,2,0,0,0,0|0,0,0]=2 758 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_200025704644_100000717100 [0,2,0,0,0,0|0,0,0]=2 759 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [0,2,0,0,0,0|1,0,0]=3 760 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [0,2,0,0,0,0|1,0,0]=3 761 B8R1.11 [13CH3]Sc1cscc1Br 62a_100010143727_200025704644 [0,2,0,0,0,0|2,0,0]=4 762 B8R1.11 [13CH3]Sc1cscc1Br 62a_200025704644_100010143727 [0,2,0,0,0,0|2,0,0]=4 763 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [0,2,0,0,0,0|1,0,0]=3 764 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [0,2,0,0,0,0|1,0,0]=3 765 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [0,2,0,0,0,0|1,0,0]=3 766 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [0,2,0,0,0,0|1,0,0]=3 767 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,2,0,0,0,0|2,0,0]=4 768 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,2,0,0,0,0|2,0,0]=4 769 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,2,0,0,0,0|2,0,0]=4 770 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,2,0,0,0,0|2,0,0]=4 771 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,2,0,0,0,0|2,0,0]=4 772 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,2,0,0,0,0|0,0,0]=2 773 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,2,0,0,0,0|2,0,0]=4 774 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,2,0,0,0,0|2,0,0]=4 775 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,2,0,0,0,0|1,0,0]=3 777 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,2,0,0,0,0|1,0,0]=3 778 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,2,0,0,0,0|2,0,0]=4 779 B8R1.18 Cn1cc(c(n1)N)O 271570a_203496583355_100010776223 [0,2,0,0,0,0|1,0,0]=3 780 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,2,0,0,0,0|2,0,0]=4 781 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,2,0,0,0,0|1,0,1]=4 782 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,2,0,0,0,0|0,0,0]=2 783 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,2,0,0,0,0|1,0,0]=3 784 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,2,0,0,0,0|1,0,0]=3 786 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,2,0,0,0,0|1,0,0]=3 787 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.50 Cc1nnn(c1O)C 271570a_203496583355_100016037793 [0,2,0,0,0,0|1,0,0]=3 789 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,2,0,0,0,0|2,0,0]=4 791 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,2,0,0,0,0|2,0,0]=4 792 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [0,2,0,0,0,0|2,0,0]=4 793 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [0,2,0,0,0,0|2,0,0]=4 794 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,2,0,0,0,0|2,0,0]=4 795 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,2,0,0,0,0|1,0,0]=3