0 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,0,0,0,0,0|2,1,0]=3 16 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.2 Cn1nnc(n1)O 271570a_203496583355_200009870515 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 Nc1nc(n[nH]1)O 271570a_203496583355_100015184587 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.2 Nc1nnc(s1)O 271570a_203496583355_100000738278 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|2,0,1]=4 37 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|2,1,0]=4 39 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|1,1,0]=3 45 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|1,0,0]=2 46 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|1,1,0]=3 52 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|1,0,0]=2 53 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.1 C=Cc1cn(cn1)C 271570a_100011290941_100000040308 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [0,1,0,0,0,0|0,0,1]=2 64 B8R1.1 C=Cc1cnn(c1)C 271570a_100011290941_100000748075 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.1 C=Cc1cnn(n1)C 271570a_100011290941_100000733932 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.1 C=Cc1n[nH]c(n1)C 271570a_100011290941_100000732540 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [0,1,0,0,0,0|1,0,2]=4 70 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.1 C=Cc1nc(ns1)C 271570a_100011290941_100000709739 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,1,0,0,0,0|0,0,1]=2 73 B8R1.1 C=Cc1ncn(n1)C 271570a_100011290941_100009819955 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [0,1,0,0,0,0|1,1,1]=4 75 B8R1.1 C=Cc1nnc(s1)C 271570a_100011290941_100000686958 [0,1,0,0,0,0|1,0,1]=3 76 B8R1.1 C=Cc1nnc(s1)N 271570a_100011290941_100000738278 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.1 C=Cc1noc(n1)C 271570a_100011290941_100012003639 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.1 CCc1noc(n1)O 270196a_200000212204_100015183105 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 CNc1nc(ns1)C 27a_100102657272_100000709739 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.1 CNc1nnc(o1)C 27a_100102657272_100000708914 [0,1,0,0,0,0|1,1,0]=3 89 B8R1.1 CNc1nnc(s1)C 27a_100102657272_100000686958 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.1 CNc1nnc(s1)N 27a_100102657272_100000738278 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.1 CNc1nnc(s1)O 271570a_203496583355_200012111945 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.1 CNc1noc(n1)C 27a_100102657272_100012003639 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,1,0,0,0,0|1,0,1]=3 98 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.1 CSc1cn(cn1)C 62a_100000040308_200000210301 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.1 CSc1cn(cn1)C 62a_200000210301_100000040308 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 CSc1cn(nn1)C 62a_100000760339_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CSc1cn(nn1)C 62a_200000210301_100000760339 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,1,0,0,0,0|0,0,0]=1 125 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,1,0,0,0,0|0,0,0]=1 126 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.1 CSc1cnn(c1)C 62a_100000745744_200000210301 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 CSc1cnn(c1)C 62a_200000210301_100000745744 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.1 CSc1cnn(n1)C 62a_100000733932_200000210301 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.1 CSc1cnn(n1)C 62a_200000210301_100000733932 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.1 CSc1n[nH]c(n1)C 62a_100000732540_200000210301 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.1 CSc1n[nH]c(n1)C 62a_200000210301_100000732540 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.1 CSc1n[nH]c(n1)N 62a_100015184587_200000210301 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.1 CSc1n[nH]c(n1)N 62a_200000210301_100015184587 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,1,0,0,0,0|1,0,1]=3 144 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 CSc1nc(ns1)C 62a_100000709739_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.1 CSc1nc(ns1)C 62a_200000210301_100000709739 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.1 CSc1nc(ns1)O 271570a_203496583355_200010005773 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,1,0,0,0,0|0,0,0]=1 155 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,1,0,0,0,0|0,0,0]=1 156 B8R1.1 CSc1ncn(n1)C 62a_100009819955_200000210301 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.1 CSc1ncn(n1)C 62a_200000210301_100009819955 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.1 CSc1nnc(o1)C 62a_200000210301_100000708914 [0,1,0,0,0,0|1,1,0]=3 159 B8R1.1 CSc1nnc(s1)C 62a_100000686958_200000210301 [0,1,0,0,0,0|1,0,0]=2 160 B8R1.1 CSc1nnc(s1)C 62a_200000210301_100000686958 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.1 CSc1nnc(s1)N 62a_100000738278_200000210301 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.1 CSc1nnc(s1)N 62a_200000210301_100000738278 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.1 CSc1nnn(n1)C 62a_200000210301_200009870515 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.1 CSc1nnn(n1)C 62a_200009870515_200000210301 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.1 CSc1noc(n1)C 62a_100012003639_200000210301 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.1 CSc1noc(n1)C 62a_200000210301_100012003639 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,1,0,0,0,0|1,0,1]=3 168 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,1,0,0,0,0|1,0,1]=3 169 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.1 Cc1cn(nn1)CF 274090a_100015361967_200000242740 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,1,0,0,0,0|0,0,0]=1 181 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,1,0,0,0,0|0,0,0]=1 182 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,1,0,0,0,0|1,0,1]=3 187 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,1,0,0,0,0|1,0,1]=3 188 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_100000732540_200025704644 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_200025704644_100000732540 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.1 Cc1nc(no1)CF 270196a_200000032654_100000070787 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.1 Cc1nc(no1)S[13CH3] 62a_100012003639_200025704644 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.1 Cc1nc(no1)S[13CH3] 62a_200025704644_100012003639 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,1,0,0,0,0|0,0,0]=1 196 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,1,0,0,0,0|0,0,0]=1 197 B8R1.1 Cc1nnc(o1)S[13CH3] 62a_200025704644_100000708914 [0,1,0,0,0,0|1,1,0]=3 198 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_100000686958_200025704644 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_200025704644_100000686958 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_100000709739_200025704644 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_200025704644_100000709739 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_100000745744_200025704644 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_200025704644_100000745744 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.1 Cn1cc(nn1)CBr 274090a_200000210301_100000184674 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.1 Cn1cc(nn1)CCl 274090a_200000210301_100000038162 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.1 Cn1cc(nn1)CN 274090a_200000210301_100000212058 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.1 Cn1cc(nn1)CO 274090a_200000210301_100000210247 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_100000760339_200025704644 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_200025704644_100000760339 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_100000040308_200025704644 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_200025704644_100000040308 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_100009819955_200025704644 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_200025704644_100009819955 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_100000733932_200025704644 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_200025704644_100000733932 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.1 Cn1nnc(n1)S[13CH3] 62a_200009870515_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.1 Cn1nnc(n1)S[13CH3] 62a_200025704644_200009870515 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.1 N#Cc1cnc(s1)O 271570a_203496583355_100009819632 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,0,0,0|2,1,0]=4 226 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,1,0,0,0,0|1,0,0]=2 228 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [0,1,0,0,0,0|1,0,1]=3 231 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [0,1,0,0,0,0|1,0,1]=3 232 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,0,0,0|2,1,0]=4 234 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,1,0,0,0,0|1,0,0]=2 236 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,1,0,0,0,0|1,0,0]=2 239 B8R1.1 Oc1nc(no1)CF 270196a_200000032654_100015183105 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,1,0,0,0,0|2,0,0]=3 245 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [0,1,0,0,0,0|1,0,0]=2 247 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [0,1,0,0,0,0|1,0,0]=2 248 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,1,0,0,0,0|1,0,0]=2 249 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,1,0,0,0,0|1,0,0]=2 250 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.1 [13CH3]Sc1n[nH]c(n1)N 62a_100015184587_200025704644 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.1 [13CH3]Sc1n[nH]c(n1)N 62a_200025704644_100015184587 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_100000738278_200025704644 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_200025704644_100000738278 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.1 [13CH3]n1cc(nn1)CBr 274090a_200025704644_100000184674 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.1 [13CH3]n1cc(nn1)CCl 274090a_200025704644_100000038162 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.1 [13CH3]n1cc(nn1)CN 274090a_200025704644_100000212058 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.1 [13CH3]n1cc(nn1)CO 274090a_200025704644_100000210247 [0,1,0,0,0,0|3,0,0]=4 264 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,0,0,0|1,0,0]=2 265 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,0,0,0|3,0,0]=4 267 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,0,0,0|2,0,0]=3 269 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,1,0,0,0,0|2,0,0]=3 270 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,1,0,0,0,0|2,0,0]=3 271 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,1,0,0,0,0|0,0,0]=1 272 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,1,0,0,0,0|1,0,0]=2 273 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,1,0,0,0,0|2,0,1]=4 274 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,1,0,0,0,0|1,0,0]=2 275 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,1,0,0,0,0|3,0,0]=4 276 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.18 Cn1cc(c(n1)N)O 271570a_203496583355_100010776223 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,1,0,0,0,0|3,0,0]=4 280 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.18 Oc1cc(sc1Cl)Cl 271570a_203496583355_100010244177 [0,1,0,0,0,0|3,0,0]=4 282 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,1,0,0,0,0|3,0,0]=4 284 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,1,0,0,0,0|2,0,0]=3 288 B8R1.50 Cc1nnn(c1O)C 271570a_203496583355_100016037793 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [0,1,0,0,0,0|3,0,0]=4 294 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,1,0,0,0|1,0,2]=4 297 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,1,0,0,0|2,0,0]=3 298 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,1,0,0,0|3,0,0]=4 299 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,1,0,0,0|3,0,0]=4 300 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,1,0,0,0|3,0,0]=4 301 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,1,0,0,0|3,0,0]=4 302 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,1,0,0,0|3,0,0]=4 303 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,1,0,0,0|3,0,0]=4 304 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,1,0,0,0|3,0,0]=4 305 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,1,0,0,0|2,0,1]=4 306 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,1,0,0,0|3,0,0]=4 307 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,1,0,0,0|3,0,0]=4 308 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,1,0,0,0|2,0,1]=4 309 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,1,0,0,0|3,0,0]=4 310 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,1,0,0,0|3,0,0]=4 311 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,1,0,0,0|1,1,0]=3 312 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,0,1,0,0,0|3,0,0]=4 313 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,0,1,0,0,0|1,1,1]=4 314 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,0,1,0,0,0|1,1,1]=4 315 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,0,1,0,0,0|3,0,0]=4 316 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,0,1,0,0,0|3,0,0]=4 317 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,0,1,0,0,0|3,0,0]=4 318 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,0,1,0,0,0|3,0,0]=4 319 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,1,0,0,0|1,1,0]=3 320 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,1,0,0,0|1,1,0]=3 321 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,1,0,0,0|1,1,0]=3 322 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,0,1,0,0,0|3,0,0]=4 323 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,0,1,0,0,0|1,1,0]=3 324 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,0,1,0,0,0|2,0,1]=4 325 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,0,1,0,0,0|1,1,1]=4 326 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,0,1,0,0,0|1,1,1]=4 327 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,0,1,0,0,0|3,0,0]=4 328 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,0,1,0,0,0|3,0,0]=4 329 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,0,1,0,0,0|3,0,0]=4 330 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,0,1,0,0,0|3,0,0]=4 331 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,0,1,0,0,0|2,1,0]=4 332 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,0,1,0,0,0|2,1,0]=4 333 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,0,1,0,0,0|3,0,0]=4 334 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,0,1,0,0,0|3,0,0]=4 335 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,0,1,0,0,0|3,0,0]=4 336 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,0,1,0,0,0|3,0,0]=4 337 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,0,0,1|3,0,0]=4 338 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,0,0,1|3,0,0]=4 339 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,0,0,1|3,0,0]=4 343 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,0,0,0,0,1|2,0,0]=3 345 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,0,0,0,0,1|2,0,0]=3 346 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,0,0,0,0,1|2,0,0]=3 348 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,0,0,0,0,1|2,0,0]=3 349 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [0,0,0,0,0,1|2,0,0]=3 350 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.3 Nc1cnc(cn1)O 271570a_203496583355_100000761932 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.3 Nc1cnc(nc1)O 271570a_203496583355_100000068403 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.3 Nc1ncc(cn1)O 271570a_203496583355_100000760574 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.3 Nc1ncc(nn1)O 271570a_203496583355_100000691435 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [0,0,0,0,0,1|3,0,0]=4 357 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [0,0,0,0,0,1|3,0,0]=4 359 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [0,0,0,0,0,1|3,0,0]=4 360 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [0,0,0,0,0,1|3,0,0]=4 362 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [0,0,0,0,0,1|3,0,0]=4 363 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [0,0,0,0,0,1|3,0,0]=4 364 B8R1.3 Oc1cnc(cn1)F 271570a_203496583355_100009856528 [0,0,0,0,0,1|3,0,0]=4 365 B8R1.3 Oc1cnc(nc1)Br 271570a_203496583355_200012349914 [0,0,0,0,0,1|3,0,0]=4 366 B8R1.3 Oc1cnc(nc1)F 271570a_203496583355_100000685262 [0,0,0,0,0,1|3,0,0]=4 367 B8R1.3 Oc1cnc(nc1)O 271570a_203496583355_100000730009 [0,0,0,0,0,1|3,0,0]=4 368 B8R1.3 Oc1ncc(cn1)Br 271570a_203496583355_100000690281 [0,0,0,0,0,1|3,0,0]=4 369 B8R1.3 Oc1ncc(cn1)Cl 271570a_203496583355_100011356929 [0,0,0,0,0,1|3,0,0]=4 370 B8R1.3 Oc1ncc(cn1)F 271570a_203496583355_100000685220 [0,0,0,0,0,1|3,0,0]=4 371 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 372 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 373 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 374 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 375 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 376 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 377 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,0,0,1|2,0,0]=3 378 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,0,0,0,0,1|2,0,0]=3 379 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,0,0,0,0,1|2,0,0]=3 382 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,0,0,0,0,1|2,0,0]=3 383 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,0,0,0,0,1|2,0,0]=3 384 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,0,0,0,0,1|2,0,0]=3 385 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,0,0,0,0,1|2,0,0]=3 386 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,0,0,1|2,0,0]=3 387 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.4 Nc1cc(cnn1)O 271570a_203496583355_100000130277 [0,0,0,0,0,1|3,0,0]=4 389 B8R1.4 Nc1cc(ncn1)O 271570a_203496583355_100000701291 [0,0,0,0,0,1|3,0,0]=4 390 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,0,0,0,0,1|3,0,0]=4 391 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,0,0,0,0,1|3,0,0]=4 392 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,0,0,0,0,1|3,0,0]=4 393 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,0,0,0,0,1|3,0,0]=4 394 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,0,0,0,0,1|3,0,0]=4 395 B8R1.4 Nc1ncnc(n1)O 271570a_203496583355_100000123831 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,0,0,0,0,1|3,0,0]=4 399 B8R1.4 Oc1cc(ncn1)F 271570a_203496583355_200009880791 [0,0,0,0,0,1|3,0,0]=4 400 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [0,0,0,0,0,1|3,0,0]=4 401 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,0,0,0,0,1|3,0,0]=4 402 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,0,0,0,0,1|3,0,0]=4 405 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,0,0,0,0,1|3,0,0]=4 406 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,0,0,0,0,1|3,0,0]=4 407 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,0,0,0,0,1|3,0,0]=4 408 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.4 Oc1cnnc(c1)O 271570a_203496583355_200010734679 [0,0,0,0,0,1|3,0,0]=4 413 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 414 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,1,0,0,0|2,0,0]=4 415 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 416 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,1,0,0,0|2,0,0]=4 417 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,1,0,0,0|2,0,0]=4 418 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,1,0,0,0|2,0,0]=4 419 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,1,0,0,0|2,0,0]=4 420 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,1,0,0,0|2,0,0]=4 421 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,1,0,0,0|2,0,0]=4 422 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,1,0,0,0|2,0,0]=4 423 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|1,1,0]=4 424 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|1,1,0]=4 425 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|1,1,0]=4 426 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|1,1,0]=4 427 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|1,1,0]=4 428 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|1,1,0]=4 429 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|0,1,0]=3 430 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|0,1,0]=3 431 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|1,1,0]=4 432 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|1,1,0]=4 433 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|1,1,0]=4 434 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|2,0,0]=4 435 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|2,0,0]=4 436 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,1,0,0,0|2,0,0]=4 437 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,1,0,0,0|2,0,0]=4 438 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,1,0,0,0|2,0,0]=4 439 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,1,0,0,0|2,0,0]=4 440 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,1,0,0,0|2,0,0]=4 441 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,1,0,0,0|2,0,0]=4 442 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,1,0,0,0|2,0,0]=4 443 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|2,0,0]=4 444 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|2,0,0]=4 445 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|2,0,0]=4 446 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,1,0,0,0|2,0,0]=4 447 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,1,0,0,0|2,0,0]=4 448 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,1,0,0,0|2,0,0]=4 449 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,1,0,0,0|2,0,0]=4 450 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,1,0,0,0|2,0,0]=4 451 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,1,0,0,0|1,0,1]=4 452 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,1,0,0,0|1,0,1]=4 453 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,1,0,0,0|1,0,1]=4 454 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,1,0,0,0|1,1,0]=4 455 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,1,0,0,0|1,1,0]=4 456 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,1,1,0,0,0|1,0,1]=4 457 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,1,0,0,0|1,1,0]=4 458 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,1,0,0,0|1,1,0]=4 459 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,1,0,0,0|1,1,0]=4 460 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,1,1,0,0,0|0,1,1]=4 461 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,1,1,0,0,0|1,1,0]=4 462 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,1,1,0,0,0|1,1,0]=4 463 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,1,1,0,0,0|1,1,0]=4 464 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,1,0,0,0,0|1,0,1]=4 465 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,1,0,0,0,0|0,1,1]=4 466 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,1,0,0,0,0|0,0,1]=3 467 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,1,0,0,0,0|1,0,1]=4 468 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,1,0,0,0,0|0,1,1]=4 469 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,1,0,0,0,0|0,0,1]=3 470 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [1,1,0,0,0,0|1,0,1]=4 471 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [1,1,0,0,0,0|1,0,1]=4 472 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,1,0,0,0,0|1,0,0]=3 473 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [1,1,0,0,0,0|1,0,0]=3 474 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,1,0,0,0,0|2,0,0]=4 475 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,1,0,0,0,0|2,0,0]=4 476 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,1,0,0,0,0|1,0,1]=4 477 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,1,0,0,0,0|1,0,1]=4 478 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,1,0,0,0,0|2,0,0]=4 479 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,1,0,0,0,0|2,0,0]=4 480 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,1,0,0,0,0|1,1,0]=4 481 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,1,0,0,0,0|1,1,0]=4 482 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,1,0,0,0,0|1,0,0]=3 483 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,1,0,0,0,0|1,0,0]=3 484 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,1,0,0,0,0|2,0,0]=4 485 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,1,0,0,0,0|2,0,0]=4 486 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,1,0,0,0,0|2,0,0]=4 487 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,1,0,0,0,0|2,0,0]=4 488 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,1,0,0,0,0|2,0,0]=4 489 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,1,0,0,0,0|2,0,0]=4 490 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,1,0,0,0,0|2,0,0]=4 491 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,1,0,0,0,0|2,0,0]=4 492 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,1,0,0,0,0|2,0,0]=4 493 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,1,0,0,0,0|2,0,0]=4 494 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,1,0,0,0,0|0,1,0]=3 495 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,1,0,0,0,0|0,1,0]=3 496 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,1,0,0,0,0|0,0,0]=2 497 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,1,0,0,0,0|0,0,0]=2 498 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [1,1,0,0,0,0|2,0,0]=4 499 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [1,1,0,0,0,0|2,0,0]=4 500 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [1,1,0,0,0,0|2,0,0]=4 501 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [1,1,0,0,0,0|2,0,0]=4 502 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,1,0,0,0,0|2,0,0]=4 503 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,1,0,0,0,0|2,0,0]=4 504 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [1,1,0,0,0,0|2,0,0]=4 505 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [1,1,0,0,0,0|2,0,0]=4 506 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,1,0,0,0,0|1,0,0]=3 507 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,1,0,0,0,0|1,0,0]=3 508 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,1,0,0,0,0|0,1,0]=3 509 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,1,0,0,0,0|0,1,0]=3 510 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,1,0,0,0,0|0,0,0]=2 511 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,1,0,0,0,0|0,0,0]=2 512 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,1,0,0,0,0|1,0,0]=3 513 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,1,0,0,0,0|1,0,0]=3 514 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,1,0,0,0,0|1,0,0]=3 515 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,1,0,0,0,0|1,0,0]=3 516 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,1,0,0,0,0|2,0,0]=4 517 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,1,0,0,0,0|2,0,0]=4 518 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,1,0,0,0,0|1,0,1]=4 519 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,1,0,0,0,0|1,0,1]=4 520 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,1,0,0,0,0|2,0,0]=4 521 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,1,0,0,0,0|2,0,0]=4 522 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,1,0,0,0,0|1,1,0]=4 523 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,1,0,0,0,0|1,1,0]=4 524 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,1,0,0,0,0|1,0,0]=3 525 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,1,0,0,0,0|1,0,0]=3 526 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,1,0,0,0,0|2,0,0]=4 527 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,1,0,0,0,0|2,0,0]=4 528 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,1,0,0,0,0|2,0,0]=4 529 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,1,0,0,0,0|2,0,0]=4 530 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,1,0,0,0,0|2,0,0]=4 531 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,1,0,0,0,0|2,0,0]=4 532 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,1,0,0,0,0|2,0,0]=4 533 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,1,0,0,0,0|2,0,0]=4 534 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,1,0,0,0,0|2,0,0]=4 535 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,1,0,0,0,0|2,0,0]=4 536 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,1,0,0,0,0|0,1,0]=3 537 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,1,0,0,0,0|0,1,0]=3 538 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,1,0,0,0,0|0,0,0]=2 539 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,1,0,0,0,0|0,0,0]=2 540 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [1,1,0,0,0,0|2,0,0]=4 541 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [1,1,0,0,0,0|2,0,0]=4 542 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [1,1,0,0,0,0|2,0,0]=4 543 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [1,1,0,0,0,0|2,0,0]=4 544 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,1,0,0,0,0|2,0,0]=4 545 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,1,0,0,0,0|2,0,0]=4 546 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [1,1,0,0,0,0|2,0,0]=4 547 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [1,1,0,0,0,0|2,0,0]=4 548 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,1,0,0,0,0|1,0,0]=3 549 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,1,0,0,0,0|1,0,0]=3 550 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,1,0,0,0,0|0,1,0]=3 551 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,1,0,0,0,0|0,1,0]=3 552 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,1,0,0,0,0|0,0,0]=2 553 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,1,0,0,0,0|0,0,0]=2 554 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,1,0,0,0,0|1,0,0]=3 555 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,1,0,0,0,0|1,0,0]=3 556 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,1,0,0,0,0|1,0,0]=3 557 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,1,0,0,0,0|1,0,0]=3 558 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [1,1,0,0,0,0|1,0,0]=3 559 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [1,1,0,0,0,0|2,0,0]=4 560 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,1,0,0,0,0|2,0,0]=4 561 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,1,0,0,0,0|2,0,0]=4 562 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [1,1,0,0,0,0|2,0,0]=4 563 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [1,1,0,0,0,0|1,0,0]=3 564 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,1,0,0,0,0|2,0,0]=4 565 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,1,0,0,0,0|1,0,0]=3 566 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [1,1,0,0,0,0|0,0,0]=2 567 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [1,1,0,0,0,0|2,0,0]=4 568 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [1,1,0,0,0,0|2,0,0]=4 569 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,1,0,0,0,0|2,0,0]=4 570 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [1,1,0,0,0,0|2,0,0]=4 571 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [1,1,0,0,0,0|2,0,0]=4 572 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [0,1,0,0,0,1|1,0,1]=4 574 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [0,1,0,0,0,1|1,0,1]=4 575 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [0,1,0,0,0,1|1,0,1]=4 576 B9R1.1 C=Cc1cnc(nc1)C 271570a_100011290941_100000686985 [0,1,0,0,0,1|1,0,1]=4 577 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [0,1,0,0,0,1|1,0,1]=4 578 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.1 CNc1ccc(nn1)C 27a_100102657272_100000744512 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.1 CNc1cnc(cn1)Br 27a_100102657272_100010187541 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.1 CNc1cnc(cn1)C 27a_100102657272_100000074397 [0,1,0,0,0,1|1,0,0]=3 588 B9R1.1 CNc1cnc(cn1)F 27a_100102657272_100009856528 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.1 CNc1cnc(cn1)O 271570a_203496583355_100012000640 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.1 CNc1cnc(nn1)N 27a_100102657272_100000691435 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.1 CNc1ncc(cn1)Br 27a_100102657272_100000690281 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.1 CNc1ncc(cn1)C 27a_100102657272_100000061069 [0,1,0,0,0,1|1,0,0]=3 593 B9R1.1 CNc1ncc(cn1)Cl 27a_100102657272_100011356929 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.1 CNc1ncc(cn1)F 27a_100102657272_100000685220 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.1 CNc1ncc(cn1)O 271570a_203496583355_100000697329 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [0,1,0,0,0,1|1,0,0]=3 599 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [0,1,0,0,0,1|1,0,0]=3 606 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [0,1,0,0,0,1|1,0,0]=3 607 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.1 COc1cnc(cn1)Br 34a_100011934580_200000210301 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.1 COc1cnc(cn1)Cl 34a_100015839800_200000210301 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.1 COc1cnc(cn1)O 271570a_203496583355_100011998698 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.1 COc1cnc(nc1)Br 34a_100000730009_200000210301 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.1 COc1cnc(nc1)Br 7a_100000730009_200000210301 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.1 COc1cnc(nc1)C 34a_100000062939_200000210301 [0,1,0,0,0,1|1,0,0]=3 622 B9R1.1 COc1cnc(nc1)C 7a_100000062939_200000210301 [0,1,0,0,0,1|1,0,0]=3 623 B9R1.1 COc1cnc(nc1)Cl 34a_100000092845_200000210301 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.1 COc1cnc(nc1)Cl 7a_100000092845_200000210301 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.1 COc1cnc(nc1)F 34a_200009874573_200000210301 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.1 COc1cnc(nc1)F 7a_200009874573_200000210301 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.1 COc1cnc(nc1)N 34a_100000087137_200000210301 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.1 COc1cnc(nc1)N 7a_100000087137_200000210301 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.1 COc1cnc(nc1)O 271570a_203496583355_100000069167 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.1 COc1ncc(cn1)F 34a_100011934040_200000210301 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.1 COc1ncc(cn1)O 271570a_203496583355_100000686852 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [0,1,0,0,0,1|1,0,0]=3 637 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [0,1,0,0,0,1|1,0,0]=3 638 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.1 CSc1ccc(nc1)Br 62a_100009814638_200000210301 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.1 CSc1ccc(nc1)Br 62a_200000210301_100009814638 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [0,1,0,0,0,1|1,0,0]=3 650 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [0,1,0,0,0,1|1,0,0]=3 651 B9R1.1 CSc1ccc(nc1)Cl 62a_100000034144_200000210301 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.1 CSc1ccc(nc1)Cl 62a_200000210301_100000034144 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.1 CSc1ccc(nc1)F 62a_100000042367_200000210301 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.1 CSc1ccc(nc1)F 62a_200000210301_100000042367 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.1 CSc1ccc(nc1)N 62a_100000187370_200000210301 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.1 CSc1ccc(nc1)N 62a_200000210301_100000187370 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.1 CSc1ccc(nn1)C 62a_100000744512_200000210301 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.1 CSc1ccc(nn1)C 62a_200000210301_100000744512 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.1 CSc1cnc(=O)[nH]c1 62a_102495366499_200000210301 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.1 CSc1cnc(=O)[nH]c1 62a_200000210301_102495366499 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.1 CSc1cnc(cn1)Br 62a_100010187541_200000210301 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.1 CSc1cnc(cn1)Br 62a_200000210301_100010187541 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.1 CSc1cnc(cn1)C 62a_100011999403_200000210301 [0,1,0,0,0,1|1,0,0]=3 665 B9R1.1 CSc1cnc(cn1)C 62a_200000210301_100011999403 [0,1,0,0,0,1|1,0,0]=3 666 B9R1.1 CSc1cnc(cn1)Cl 62a_100010214907_200000210301 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.1 CSc1cnc(cn1)Cl 62a_200000210301_100010214907 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.1 CSc1cnc(cn1)F 62a_100009856528_200000210301 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.1 CSc1cnc(cn1)F 62a_200000210301_100009856528 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.1 CSc1cnc(cn1)N 62a_100000744751_200000210301 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.1 CSc1cnc(cn1)N 62a_200000210301_100000744751 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.1 CSc1cnc(cn1)O 271570a_203496583355_200012356277 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.1 CSc1cnc(cn1)O 62a_100011934580_200000210301 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.1 CSc1cnc(cn1)O 62a_200000210301_100015839800 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.1 CSc1cnc(nc1)Br 62a_200000210301_200012349914 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.1 CSc1cnc(nc1)Br 62a_200012349914_200000210301 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.1 CSc1cnc(nc1)C 62a_100000686985_200000210301 [0,1,0,0,0,1|1,0,0]=3 678 B9R1.1 CSc1cnc(nc1)C 62a_200000210301_100000686985 [0,1,0,0,0,1|1,0,0]=3 679 B9R1.1 CSc1cnc(nc1)Cl 62a_100000059775_200000210301 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.1 CSc1cnc(nc1)Cl 62a_200000210301_100000059775 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.1 CSc1cnc(nc1)F 62a_100000685262_200000210301 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.1 CSc1cnc(nc1)F 62a_200000210301_100000685262 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.1 CSc1cnc(nc1)N 62a_100000766020_200000210301 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.1 CSc1cnc(nc1)N 62a_200000210301_100000766020 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.1 CSc1cnc(nc1)O 271570a_203496583355_100000718988 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.1 CSc1cnc(nn1)N 62a_100000691435_200000210301 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.1 CSc1cnc(nn1)N 62a_200000210301_100000691435 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.1 CSc1ncc(cn1)Br 62a_100000690281_200000210301 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.1 CSc1ncc(cn1)Br 62a_200000210301_100000690281 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.1 CSc1ncc(cn1)C 62a_100000061069_200000210301 [0,1,0,0,0,1|1,0,0]=3 691 B9R1.1 CSc1ncc(cn1)C 62a_200000210301_100000061069 [0,1,0,0,0,1|1,0,0]=3 692 B9R1.1 CSc1ncc(cn1)Cl 62a_100011356929_200000210301 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.1 CSc1ncc(cn1)Cl 62a_200000210301_100011356929 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.1 CSc1ncc(cn1)F 62a_100000685220_200000210301 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.1 CSc1ncc(cn1)F 62a_200000210301_100000685220 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.1 CSc1ncc(cn1)N 62a_100000068403_200000210301 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.1 CSc1ncc(cn1)N 62a_200000210301_100000068403 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.1 CSc1ncc(cn1)O 271570a_203496583355_100000722549 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.1 CSc1ncc(cn1)O 62a_100000730009_200000210301 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.1 CSc1ncc(cn1)O 62a_200000210301_100000092845 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [0,1,0,0,0,1|1,0,0]=3 707 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [0,1,0,0,0,1|1,0,0]=3 708 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [0,1,0,0,0,1|1,0,0]=3 709 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [0,1,0,0,0,1|1,0,0]=3 710 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [0,1,0,0,0,1|1,0,0]=3 711 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [0,1,0,0,0,1|1,0,0]=3 712 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [0,1,0,0,0,1|1,0,0]=3 713 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_100000744512_200025704644 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_200025704644_100000744512 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_100011999403_200025704644 [0,1,0,0,0,1|1,0,0]=3 716 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_200025704644_100011999403 [0,1,0,0,0,1|1,0,0]=3 717 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_100000061069_200025704644 [0,1,0,0,0,1|1,0,0]=3 718 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_200025704644_100000061069 [0,1,0,0,0,1|1,0,0]=3 719 B9R1.1 Cc1ncc(cn1)O[13CH3] 34a_100000062939_200025704644 [0,1,0,0,0,1|1,0,0]=3 720 B9R1.1 Cc1ncc(cn1)O[13CH3] 7a_100000062939_200025704644 [0,1,0,0,0,1|1,0,0]=3 721 B9R1.1 Cc1ncc(cn1)S[13CH3] 62a_100000686985_200025704644 [0,1,0,0,0,1|1,0,0]=3 722 B9R1.1 Cc1ncc(cn1)S[13CH3] 62a_200025704644_100000686985 [0,1,0,0,0,1|1,0,0]=3 723 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.1 NCc1ncc(cn1)O 271570a_203496583355_200016993442 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.1 [13CH3]Oc1cnc(cn1)Br 34a_100011934580_200025704644 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.1 [13CH3]Oc1cnc(cn1)Cl 34a_100015839800_200025704644 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.1 [13CH3]Oc1cnc(nc1)Br 34a_100000730009_200025704644 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.1 [13CH3]Oc1cnc(nc1)Br 7a_100000730009_200025704644 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.1 [13CH3]Oc1cnc(nc1)Cl 34a_100000092845_200025704644 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.1 [13CH3]Oc1cnc(nc1)Cl 7a_100000092845_200025704644 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.1 [13CH3]Oc1cnc(nc1)F 34a_200009874573_200025704644 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.1 [13CH3]Oc1cnc(nc1)F 7a_200009874573_200025704644 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.1 [13CH3]Oc1cnc(nc1)N 34a_100000087137_200025704644 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.1 [13CH3]Oc1cnc(nc1)N 7a_100000087137_200025704644 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.1 [13CH3]Oc1ncc(cn1)F 34a_100011934040_200025704644 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_100009814638_200025704644 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_200025704644_100009814638 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_100000034144_200025704644 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_200025704644_100000034144 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_100000042367_200025704644 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_200025704644_100000042367 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_100000187370_200025704644 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_200025704644_100000187370 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_102495366499_200025704644 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.1 [13CH3]Sc1cnc(=O)[nH]c1 62a_200025704644_102495366499 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_100010187541_200025704644 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_200025704644_100010187541 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_100010214907_200025704644 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_200025704644_100010214907 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_100009856528_200025704644 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_200025704644_100009856528 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_100000744751_200025704644 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_200025704644_100000744751 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_100011934580_200025704644 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_200025704644_100015839800 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.1 [13CH3]Sc1cnc(nc1)Br 62a_200012349914_200025704644 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.1 [13CH3]Sc1cnc(nc1)Br 62a_200025704644_200012349914 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.1 [13CH3]Sc1cnc(nc1)Cl 62a_100000059775_200025704644 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.1 [13CH3]Sc1cnc(nc1)Cl 62a_200025704644_100000059775 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.1 [13CH3]Sc1cnc(nc1)F 62a_100000685262_200025704644 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.1 [13CH3]Sc1cnc(nc1)F 62a_200025704644_100000685262 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.1 [13CH3]Sc1cnc(nc1)N 62a_100000766020_200025704644 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.1 [13CH3]Sc1cnc(nc1)N 62a_200025704644_100000766020 [0,1,0,0,0,1|2,0,0]=4 793 B9R1.1 [13CH3]Sc1cnc(nn1)N 62a_100000691435_200025704644 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.1 [13CH3]Sc1cnc(nn1)N 62a_200025704644_100000691435 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.1 [13CH3]Sc1ncc(cn1)Br 62a_100000690281_200025704644 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.1 [13CH3]Sc1ncc(cn1)Br 62a_200025704644_100000690281 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.1 [13CH3]Sc1ncc(cn1)Cl 62a_100011356929_200025704644 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.1 [13CH3]Sc1ncc(cn1)Cl 62a_200025704644_100011356929 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.1 [13CH3]Sc1ncc(cn1)F 62a_100000685220_200025704644 [0,1,0,0,0,1|2,0,0]=4 800 B9R1.1 [13CH3]Sc1ncc(cn1)F 62a_200025704644_100000685220 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.1 [13CH3]Sc1ncc(cn1)N 62a_100000068403_200025704644 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.1 [13CH3]Sc1ncc(cn1)N 62a_200025704644_100000068403 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.1 [13CH3]Sc1ncc(cn1)O 62a_100000730009_200025704644 [0,1,0,0,0,1|2,0,0]=4 804 B9R1.1 [13CH3]Sc1ncc(cn1)O 62a_200025704644_100000092845 [0,1,0,0,0,1|2,0,0]=4 805 B9R1.69 Cc1c[nH]c(=O)c(n1)O 271570a_203496583355_100009858157 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.69 Cc1cc(c(cn1)C)O 271570a_203496583355_100009862788 [0,1,0,0,0,1|1,0,0]=3 807 B9R1.69 Cc1cc(c(cn1)F)O 271570a_203496583355_100009867690 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.69 Cc1cc(c(cn1)O)N 271570a_203496583355_100009817891 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.69 Cc1cc(cnc1C)O 271570a_203496583355_100000697892 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.69 Cc1ccc(c(n1)F)O 271570a_203496583355_100010006597 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.69 Cc1ccc(c(n1)N)O 271570a_203496583355_100009816662 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.69 Cc1ccc(c(n1)O)C 271570a_203496583355_100009854376 [0,1,0,0,0,1|1,0,0]=3 818 B9R1.69 Cc1ccc(c(n1)O)F 271570a_203496583355_100009817602 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.69 Cc1ccc(c(n1)O)N 271570a_203496583355_100000685570 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.69 Cc1ccc(nc1N)O 271570a_203496583355_100009857032 [0,1,0,0,0,1|2,0,0]=4 824 B9R1.69 Cc1ccc(nc1O)N 271570a_203496583355_100000126722 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.69 Cc1cnc(c(c1)F)O 271570a_203496583355_100009819633 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.69 Cc1cnc(c(c1)N)O 271570a_203496583355_100000733613 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.69 Cc1cnc(c(c1)O)C 271570a_203496583355_100009817436 [0,1,0,0,0,1|1,0,0]=3 829 B9R1.69 Cc1cnc(c(c1)O)Cl 271570a_203496583355_100010210167 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.69 Cc1cnc(c(c1)O)F 271570a_203496583355_100000049784 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.69 Cc1cnc(c(c1)O)N 271570a_203496583355_100000049664 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.69 Cc1cnc(c(n1)C)O 271570a_203496583355_100000065684 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.69 Cc1cnc(c(n1)O)C 271570a_203496583355_100000211308 [0,1,0,0,0,1|1,0,0]=3 836 B9R1.69 Cc1cnc(c(n1)O)N 271570a_203496583355_100009819049 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.69 Cc1cnc(cc1F)O 271570a_203496583355_100009841206 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.69 Cc1cnc(cc1N)O 271570a_203496583355_100000690170 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.69 Cc1cnc(cc1O)Br 271570a_203496583355_100010067628 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.69 Cc1cnc(cc1O)Cl 271570a_203496583355_100010068021 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.69 Cc1cnc(cc1O)F 271570a_203496583355_100000049870 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.69 Cc1cnc(cc1O)N 271570a_203496583355_100009819938 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100000704368 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100009831917 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.69 Cc1cnc(nc1N)O 271570a_203496583355_100011996698 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.69 Cc1cnc(nc1O)N 271570a_203496583355_100000016107 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.69 Cc1ncc(c(n1)N)O 271570a_203496583355_100000684960 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.69 Cc1ncc(c(n1)O)F 271570a_203496583355_100000059819 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.69 Cc1ncc(c(n1)O)N 271570a_203496583355_100009873743 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.69 Cc1ncc(cc1F)O 271570a_203496583355_100009845756 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.69 Cc1ncc(cc1N)O 271570a_203496583355_100011999542 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.69 Cc1ncc(cc1O)Br 271570a_203496583355_200010090566 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.69 Cc1ncc(cc1O)F 271570a_203496583355_100009860710 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.69 Cc1ncc(cc1O)N 271570a_203496583355_100011998591 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009819603 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009864810 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.69 Cc1ncc(nc1C)O 271570a_203496583355_100009878948 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.69 Cc1ncc(nc1O)N 271570a_203496583355_100009877824 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [0,1,0,0,0,1|1,0,1]=4 862 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [0,1,0,0,0,1|1,0,1]=4 863 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [0,1,0,0,0,1|1,0,1]=4 864 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [0,1,0,0,0,1|1,0,1]=4 865 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [0,1,0,0,0,1|1,0,1]=4 866 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [0,1,0,0,0,1|1,0,1]=4 867 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [0,1,0,0,0,1|1,0,1]=4 868 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [0,1,0,0,0,1|1,0,1]=4 869 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [0,1,0,0,0,1|1,0,0]=3 877 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [0,1,0,0,0,1|1,0,0]=3 878 B9R1.2 CNc1cc(ncn1)F 27a_100102657272_200009880791 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.2 CNc1cc(ncn1)N 27a_100102657272_100000701291 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.2 CNc1cc(ncn1)O 271570a_203496583355_100000756605 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.2 CNc1cc(ncn1)O 27a_100102657272_100000765262 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,1,0,0,0,1|1,0,0]=3 885 B9R1.2 CNc1ccnc(c1)F 27a_100102657272_100009816116 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,1,0,0,0,1|1,0,0]=3 888 B9R1.2 CNc1ccnc(n1)N 27a_100102657272_100000055538 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.2 CNc1ccnc(n1)O 271570a_203496583355_100011649947 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,1,0,0,0,1|1,0,0]=3 892 B9R1.2 CNc1cncc(n1)Cl 27a_100102657272_100010892449 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.2 CNc1cncc(n1)F 27a_100102657272_200009863489 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,1,0,0,0,1|1,0,0]=3 896 B9R1.2 CNc1nccc(n1)N 27a_100102657272_100000757536 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.2 CNc1nccc(n1)O 271570a_203496583355_100012000420 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.2 CNc1nccc(n1)O 27a_100102657272_100011649813 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.2 CNc1ncnc(n1)N 27a_100102657272_100000123831 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [0,1,0,0,0,1|1,0,0]=3 902 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,1,0,0,0,1|1,0,0]=3 906 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [0,1,0,0,0,1|1,0,0]=3 914 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [0,1,0,0,0,1|1,0,0]=3 915 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.2 COc1cnnc(c1)Cl 34a_200010734679_200000210301 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.2 COc1cnnc(c1)N 34a_200015193112_200000210301 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.2 COc1cnnc(c1)O 271570a_203496583355_100000087634 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.2 COc1ncnc(n1)O 271570a_203496583355_200010750123 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [0,1,0,0,0,1|2,0,0]=4 927 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,1,0,0,0,1|1,0,0]=3 928 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,1,0,0,0,1|1,0,0]=3 929 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [0,1,0,0,0,1|1,0,0]=3 937 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [0,1,0,0,0,1|1,0,0]=3 938 B9R1.2 CSc1cc(cnn1)N 62a_100011996757_200000210301 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.2 CSc1cc(cnn1)N 62a_200000210301_100011996757 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.2 CSc1cc(cnn1)O 62a_200000210301_200010734679 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.2 CSc1cc(ncn1)C 62a_100000744208_200000210301 [0,1,0,0,0,1|1,0,0]=3 942 B9R1.2 CSc1cc(ncn1)C 62a_200000210301_100000744208 [0,1,0,0,0,1|1,0,0]=3 943 B9R1.2 CSc1cc(ncn1)Cl 62a_100010161198_200000210301 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.2 CSc1cc(ncn1)Cl 62a_200000210301_100010161198 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.2 CSc1cc(ncn1)F 62a_200000210301_200009880791 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.2 CSc1cc(ncn1)F 62a_200009880791_200000210301 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.2 CSc1cc(ncn1)N 62a_100000701291_200000210301 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.2 CSc1cc(ncn1)N 62a_200000210301_100000701291 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.2 CSc1cc(ncn1)O 271570a_203496583355_100011443430 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.2 CSc1cc(ncn1)O 62a_200000210301_100000765262 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.2 CSc1ccnc(c1)Br 62a_100009814637_200000210301 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.2 CSc1ccnc(c1)Br 62a_200000210301_100009814637 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [0,1,0,0,0,1|1,0,0]=3 958 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [0,1,0,0,0,1|1,0,0]=3 959 B9R1.2 CSc1ccnc(c1)Cl 62a_100000035001_200000210301 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.2 CSc1ccnc(c1)Cl 62a_200000210301_100000035001 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.2 CSc1ccnc(c1)F 62a_100009816116_200000210301 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.2 CSc1ccnc(c1)F 62a_200000210301_100009816116 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [0,1,0,0,0,1|1,0,0]=3 967 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [0,1,0,0,0,1|1,0,0]=3 968 B9R1.2 CSc1ccnc(n1)Cl 62a_100010154678_200000210301 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.2 CSc1ccnc(n1)Cl 62a_200000210301_100010154678 [0,1,0,0,0,1|2,0,0]=4 970 B9R1.2 CSc1ccnc(n1)N 62a_100000055538_200000210301 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.2 CSc1ccnc(n1)N 62a_200000210301_100000055538 [0,1,0,0,0,1|2,0,0]=4 972 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.2 CSc1cn[nH]c(=O)c1 62a_200000210301_100010197405 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [0,1,0,0,0,1|1,0,0]=3 977 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [0,1,0,0,0,1|1,0,0]=3 978 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [0,1,0,0,0,1|2,0,0]=4 984 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [0,1,0,0,0,1|2,0,0]=4 985 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 986 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [0,1,0,0,0,1|1,0,0]=3 988 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [0,1,0,0,0,1|1,0,0]=3 989 B9R1.2 CSc1cncc(n1)Cl 62a_100010892449_200000210301 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.2 CSc1cncc(n1)Cl 62a_200000210301_100010892449 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.2 CSc1cncc(n1)F 62a_200000210301_200009863489 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.2 CSc1cncc(n1)F 62a_200009863489_200000210301 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.2 CSc1cncc(n1)N 62a_100000747728_200000210301 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.2 CSc1cncc(n1)N 62a_200000210301_100000747728 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.2 CSc1cnnc(c1)N 62a_100000130277_200000210301 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.2 CSc1cnnc(c1)N 62a_200000210301_100000130277 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [0,1,0,0,0,1|1,0,0]=3 999 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [0,1,0,0,0,1|1,0,0]=3 1000 B9R1.2 CSc1nccc(n1)N 62a_100000757536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.2 CSc1nccc(n1)N 62a_200000210301_100000757536 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.2 CSc1ncnc(n1)N 62a_100000123831_200000210301 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.2 CSc1ncnc(n1)N 62a_200000210301_100000123831 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,1,0,0,0,1|1,0,0]=3 1007 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [0,1,0,0,0,1|1,0,0]=3 1008 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [0,1,0,0,0,1|1,0,0]=3 1009 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_100000744208_200025704644 [0,1,0,0,0,1|1,0,0]=3 1010 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000744208 [0,1,0,0,0,1|1,0,0]=3 1011 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,0,0,1|2,0,0]=4 1012 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,0,0,1|2,0,0]=4 1013 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,1,0,0,0,1|2,0,0]=4 1019 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,1,0,0,0,1|1,0,0]=3 1020 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,1,0,0,0,1|1,0,0]=3 1021 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [0,1,0,0,0,1|1,0,0]=3 1022 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [0,1,0,0,0,1|1,0,0]=3 1023 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [0,1,0,0,0,1|1,0,0]=3 1024 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [0,1,0,0,0,1|1,0,0]=3 1025 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [0,1,0,0,0,1|1,0,0]=3 1026 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [0,1,0,0,0,1|1,0,0]=3 1027 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [0,1,0,0,0,1|1,0,0]=3 1028 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [0,1,0,0,0,1|1,0,0]=3 1029 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [0,1,0,0,0,1|1,0,0]=3 1030 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [0,1,0,0,0,1|1,0,0]=3 1031 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [0,1,0,0,0,1|1,0,0]=3 1032 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [0,1,0,0,0,1|1,0,0]=3 1033 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [0,1,0,0,0,1|1,0,0]=3 1034 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,0,0,1|2,0,0]=4 1040 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,1,0,0,0,1|2,0,0]=4 1041 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [0,1,0,0,0,1|2,0,0]=4 1043 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [0,1,0,0,0,1|2,0,0]=4 1044 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1045 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1046 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [0,1,0,0,0,1|2,0,0]=4 1047 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1048 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [0,1,0,0,0,1|2,0,0]=4 1050 B9R1.2 [13CH3]Oc1cnnc(c1)Cl 34a_200010734679_200025704644 [0,1,0,0,0,1|2,0,0]=4 1051 B9R1.2 [13CH3]Oc1cnnc(c1)N 34a_200015193112_200025704644 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [0,1,0,0,0,1|2,0,0]=4 1053 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [0,1,0,0,0,1|2,0,0]=4 1056 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [0,1,0,0,0,1|2,0,0]=4 1060 B9R1.2 [13CH3]Sc1cc(cnn1)N 62a_100011996757_200025704644 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.2 [13CH3]Sc1cc(cnn1)N 62a_200025704644_100011996757 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.2 [13CH3]Sc1cc(cnn1)O 62a_200025704644_200010734679 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_100010161198_200025704644 [0,1,0,0,0,1|2,0,0]=4 1064 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_200025704644_100010161198 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200009880791_200025704644 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200025704644_200009880791 [0,1,0,0,0,1|2,0,0]=4 1067 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_100000701291_200025704644 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_200025704644_100000701291 [0,1,0,0,0,1|2,0,0]=4 1069 B9R1.2 [13CH3]Sc1cc(ncn1)O 62a_200025704644_100000765262 [0,1,0,0,0,1|2,0,0]=4 1070 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_100009814637_200025704644 [0,1,0,0,0,1|2,0,0]=4 1071 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_200025704644_100009814637 [0,1,0,0,0,1|2,0,0]=4 1072 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_100000035001_200025704644 [0,1,0,0,0,1|2,0,0]=4 1073 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_200025704644_100000035001 [0,1,0,0,0,1|2,0,0]=4 1074 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_100009816116_200025704644 [0,1,0,0,0,1|2,0,0]=4 1075 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_200025704644_100009816116 [0,1,0,0,0,1|2,0,0]=4 1076 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1077 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [0,1,0,0,0,1|2,0,0]=4 1078 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_100010154678_200025704644 [0,1,0,0,0,1|2,0,0]=4 1079 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_200025704644_100010154678 [0,1,0,0,0,1|2,0,0]=4 1080 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_100000055538_200025704644 [0,1,0,0,0,1|2,0,0]=4 1081 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_200025704644_100000055538 [0,1,0,0,0,1|2,0,0]=4 1082 B9R1.2 [13CH3]Sc1cn[nH]c(=O)c1 62a_200025704644_100010197405 [0,1,0,0,0,1|2,0,0]=4 1083 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [0,1,0,0,0,1|2,0,0]=4 1084 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [0,1,0,0,0,1|2,0,0]=4 1085 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [0,1,0,0,0,1|2,0,0]=4 1086 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [0,1,0,0,0,1|2,0,0]=4 1087 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [0,1,0,0,0,1|2,0,0]=4 1088 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [0,1,0,0,0,1|2,0,0]=4 1089 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [0,1,0,0,0,1|2,0,0]=4 1090 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [0,1,0,0,0,1|2,0,0]=4 1091 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1092 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [0,1,0,0,0,1|2,0,0]=4 1093 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_100010892449_200025704644 [0,1,0,0,0,1|2,0,0]=4 1094 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_200025704644_100010892449 [0,1,0,0,0,1|2,0,0]=4 1095 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200009863489_200025704644 [0,1,0,0,0,1|2,0,0]=4 1096 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200025704644_200009863489 [0,1,0,0,0,1|2,0,0]=4 1097 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_100000747728_200025704644 [0,1,0,0,0,1|2,0,0]=4 1098 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_200025704644_100000747728 [0,1,0,0,0,1|2,0,0]=4 1099 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [0,1,0,0,0,1|2,0,0]=4 1100 B9R1.2 [13CH3]Sc1cnnc(c1)N 62a_100000130277_200025704644 [0,1,0,0,0,1|2,0,0]=4 1101 B9R1.2 [13CH3]Sc1cnnc(c1)N 62a_200025704644_100000130277 [0,1,0,0,0,1|2,0,0]=4 1102 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_100000757536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1103 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_200025704644_100000757536 [0,1,0,0,0,1|2,0,0]=4 1104 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [0,1,0,0,0,1|2,0,0]=4 1105 B9R1.2 [13CH3]Sc1ncnc(n1)N 62a_100000123831_200025704644 [0,1,0,0,0,1|2,0,0]=4 1106 B9R1.2 [13CH3]Sc1ncnc(n1)N 62a_200025704644_100000123831 [0,1,0,0,0,1|2,0,0]=4 1107 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [0,1,0,0,0,1|2,0,0]=4 1108 B9R1.3 Cc1ccnc(c1C)O 271570a_203496583355_100009847204 [0,1,0,0,0,1|2,0,0]=4 1109 B9R1.3 Cc1ccnc(c1F)O 271570a_203496583355_100009817629 [0,1,0,0,0,1|2,0,0]=4 1110 B9R1.3 Cc1ccnc(c1N)O 271570a_203496583355_100000763560 [0,1,0,0,0,1|2,0,0]=4 1111 B9R1.3 Cc1ccnc(c1O)C 271570a_203496583355_100012000501 [0,1,0,0,0,1|1,0,0]=3 1112 B9R1.3 Cc1ccnc(c1O)F 271570a_203496583355_100009818256 [0,1,0,0,0,1|2,0,0]=4 1113 B9R1.3 Cc1ccnc(c1O)N 271570a_203496583355_100011998619 [0,1,0,0,0,1|2,0,0]=4 1114 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100000696282 [0,1,0,0,0,1|2,0,0]=4 1115 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100012000493 [0,1,0,0,0,1|2,0,0]=4 1116 B9R1.3 Cc1cncc(c1C)O 271570a_203496583355_100009864703 [0,1,0,0,0,1|2,0,0]=4 1117 B9R1.3 Cc1cncc(c1N)O 271570a_203496583355_100009818025 [0,1,0,0,0,1|2,0,0]=4 1118 B9R1.3 Cc1cncc(c1O)C 271570a_203496583355_100009817138 [0,1,0,0,0,1|1,0,0]=3 1119 B9R1.3 Cc1nc[nH]c(=O)c1O 271570a_203496583355_100011356812 [0,1,0,0,0,1|2,0,0]=4 1120 B9R1.3 Cc1nccc(c1C)O 271570a_203496583355_100009846815 [0,1,0,0,0,1|2,0,0]=4 1121 B9R1.3 Cc1nccc(c1Cl)O 271570a_203496583355_100000698670 [0,1,0,0,0,1|2,0,0]=4 1122 B9R1.3 Cc1nccc(c1F)O 271570a_203496583355_100009849794 [0,1,0,0,0,1|2,0,0]=4 1123 B9R1.3 Cc1nccc(c1N)O 271570a_203496583355_100009885578 [0,1,0,0,0,1|2,0,0]=4 1124 B9R1.3 Cc1nccc(c1O)N 271570a_203496583355_100010243816 [0,1,0,0,0,1|2,0,0]=4 1125 B9R1.3 Cc1ncnc(c1C)O 271570a_203496583355_100011438038 [0,1,0,0,0,1|2,0,0]=4 1126 B9R1.3 Cc1ncnc(c1F)O 271570a_203496583355_100011671633 [0,1,0,0,0,1|2,0,0]=4 1127 B9R1.3 Cc1ncnc(c1O)C 271570a_203496583355_100009820708 [0,1,0,0,0,1|1,0,0]=3 1128 B9R1.3 Cc1ncnc(c1O)N 271570a_203496583355_100011996190 [0,1,0,0,0,1|2,0,0]=4 1129 B9R1.34 Cc1cc(cc(c1)O)C 271570a_203496583355_100011215608 [0,1,0,0,0,1|2,0,0]=4 1130 B9R1.34 Cc1cc(cc(n1)C)O 271570a_203496583355_100009816552 [0,1,0,0,0,1|2,0,0]=4 1131 B9R1.34 Cc1cc(cc(n1)F)O 271570a_203496583355_100010006595 [0,1,0,0,0,1|2,0,0]=4 1132 B9R1.34 Cc1cc(cc(n1)N)O 271570a_203496583355_100000076705 [0,1,0,0,0,1|2,0,0]=4 1133 B9R1.34 Cc1cc(nc(c1)F)O 271570a_203496583355_100009819601 [0,1,0,0,0,1|2,0,0]=4 1134 B9R1.34 Cc1cc(nc(c1)O)C 271570a_203496583355_100000069240 [0,1,0,0,0,1|1,0,0]=3 1135 B9R1.34 Cc1cc(nc(c1)O)N 271570a_203496583355_100009819863 [0,1,0,0,0,1|2,0,0]=4 1136 B9R1.34 Cc1cc(nc(n1)C)O 271570a_203496583355_100000736142 [0,1,0,0,0,1|1,0,0]=3 1137 B9R1.34 Cc1cc(nc(n1)N)O 271570a_203496583355_100000183061 [0,1,0,0,0,1|2,0,0]=4 1138 B9R1.34 Cc1cc(nc(n1)O)C 271570a_203496583355_100000736147 [0,1,0,0,0,1|1,0,0]=3 1139 B9R1.34 Cc1cc(nc(n1)O)N 271570a_203496583355_100000687285 [0,1,0,0,0,1|2,0,0]=4 1140 B9R1.34 Cc1nc(cc(n1)O)N 271570a_203496583355_100012178882 [0,1,0,0,0,1|2,0,0]=4 1141 B9R1.34 Cc1nc(cc(n1)O)O 271570a_203496583355_106741647437 [0,1,0,0,0,1|2,0,0]=4 1142 B9R1.34 Cc1nc(nc(n1)O)C 271570a_203496583355_100015468570 [0,1,0,0,0,1|1,0,0]=3 1143 B9R1.34 Cc1nc(nc(n1)O)N 271570a_203496583355_200012022553 [0,1,0,0,0,1|2,0,0]=4 1144 B9R1.7 C#CCc1nc(no1)C 270196a_100000212224_100011220946 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [0,2,0,0,0,0|1,0,1]=4 1146 B9R1.7 C=C=Cc1cnc(s1)C 271570a_100015277604_100000764884 [0,2,0,0,0,0|0,0,1]=3 1147 B9R1.7 C=C=Cc1ncc(s1)C 271570a_100015277604_100000690809 [0,2,0,0,0,0|0,0,1]=3 1148 B9R1.7 C=C=Cc1nnc(s1)C 271570a_100015277604_100000686958 [0,2,0,0,0,0|1,0,1]=4 1149 B9R1.7 C=CCc1noc(n1)C 270196a_100000746013_100000070787 [0,2,0,0,0,0|2,0,0]=4 1150 B9R1.7 C=NCc1noc(n1)C 270196a_100011217787_100000070787 [0,2,0,0,0,0|2,0,0]=4 1151 B9R1.7 CC=Cc1c[nH]c(n1)C 271570a_100016259895_100009814057 [0,2,0,0,0,0|1,0,1]=4 1152 B9R1.7 CC=Cc1cc([nH]n1)C 271570a_100016259895_100015199547 [0,2,0,0,0,0|2,0,0]=4 1153 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,2,0,0,0,0|2,0,0]=4 1154 B9R1.7 CC=Cc1cc(ns1)C 271570a_100016259895_100009815735 [0,2,0,0,0,0|2,0,0]=4 1155 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,2,0,0,0,0|2,0,0]=4 1156 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,2,0,0,0,0|1,0,0]=3 1157 B9R1.7 CC=Cc1cn(cn1)C 271570a_100016259895_100000040308 [0,2,0,0,0,0|2,0,0]=4 1158 B9R1.7 CC=Cc1cnc(s1)C 271570a_100016259895_100000764884 [0,2,0,0,0,0|0,0,0]=2 1159 B9R1.7 CC=Cc1cnn(c1)C 271570a_100016259895_100000748075 [0,2,0,0,0,0|2,0,0]=4 1160 B9R1.7 CC=Cc1cnn(n1)C 271570a_100016259895_100000733932 [0,2,0,0,0,0|2,0,0]=4 1161 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [0,2,0,0,0,0|2,0,0]=4 1162 B9R1.7 CC=Cc1csc(n1)C 271570a_100016259895_100011934587 [0,2,0,0,0,0|2,0,0]=4 1163 B9R1.7 CC=Cc1n[nH]c(n1)C 271570a_100016259895_100000732540 [0,2,0,0,0,0|2,0,0]=4 1164 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [0,2,0,0,0,0|1,0,1]=4 1165 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [0,2,0,0,0,0|2,0,0]=4 1166 B9R1.7 CC=Cc1nc(no1)C 270196a_100000212224_100000210699 [0,2,0,0,0,0|2,0,0]=4 1167 B9R1.7 CC=Cc1nc(ns1)C 271570a_100016259895_100000709739 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [0,2,0,0,0,0|0,0,0]=2 1169 B9R1.7 CC=Cc1ncn(n1)C 271570a_100016259895_100009819955 [0,2,0,0,0,0|2,0,0]=4 1170 B9R1.7 CC=Cc1nnc(o1)C 271570a_100016259895_100000708914 [0,2,0,0,0,0|1,1,0]=4 1171 B9R1.7 CC=Cc1nnc(s1)C 271570a_100016259895_100000686958 [0,2,0,0,0,0|1,0,0]=3 1172 B9R1.7 CC=Cc1nnc(s1)N 271570a_100016259895_100000738278 [0,2,0,0,0,0|2,0,0]=4 1173 B9R1.7 CC=Cc1noc(n1)C 270196a_200000210507_100000070787 [0,2,0,0,0,0|2,0,0]=4 1174 B9R1.7 CC=Cc1noc(n1)C 271570a_100016259895_100012003639 [0,2,0,0,0,0|2,0,0]=4 1175 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,2,0,0,0,0|2,0,0]=4 1176 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,2,0,0,0,0|2,0,0]=4 1177 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [0,2,0,0,0,0|2,0,0]=4 1178 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [0,2,0,0,0,0|2,0,0]=4 1179 B9R1.7 CCNc1nc(ns1)C 27a_100015525214_100000709739 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.7 CCNc1nnc(o1)C 27a_100015525214_100000708914 [0,2,0,0,0,0|1,1,0]=4 1181 B9R1.7 CCNc1nnc(s1)C 27a_100015525214_100000686958 [0,2,0,0,0,0|1,0,0]=3 1182 B9R1.7 CCNc1nnc(s1)N 27a_100015525214_100000738278 [0,2,0,0,0,0|2,0,0]=4 1183 B9R1.7 CCNc1noc(n1)C 27a_100015525214_100012003639 [0,2,0,0,0,0|2,0,0]=4 1184 B9R1.7 CCOc1cnn(c1)C 34a_100000707646_100000210202 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.7 CCSc1c[nH]c(n1)C 62a_100000210202_100009814057 [0,2,0,0,0,0|1,0,1]=4 1186 B9R1.7 CCSc1c[nH]c(n1)C 62a_100009814057_100000210202 [0,2,0,0,0,0|1,0,1]=4 1187 B9R1.7 CCSc1cc([nH]n1)C 62a_100000210202_100009819999 [0,2,0,0,0,0|2,0,0]=4 1188 B9R1.7 CCSc1cc([nH]n1)C 62a_100009819999_100000210202 [0,2,0,0,0,0|2,0,0]=4 1189 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,2,0,0,0,0|2,0,0]=4 1190 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,2,0,0,0,0|2,0,0]=4 1191 B9R1.7 CCSc1cc(ns1)C 62a_100000210202_100009815735 [0,2,0,0,0,0|2,0,0]=4 1192 B9R1.7 CCSc1cc(ns1)C 62a_100009815735_100000210202 [0,2,0,0,0,0|2,0,0]=4 1193 B9R1.7 CCSc1cc(on1)C 62a_100000210202_100000716708 [0,2,0,0,0,0|2,0,0]=4 1194 B9R1.7 CCSc1cc(on1)C 62a_100000716708_100000210202 [0,2,0,0,0,0|2,0,0]=4 1195 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,2,0,0,0,0|2,0,0]=4 1196 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,2,0,0,0,0|1,0,0]=3 1198 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,2,0,0,0,0|1,0,0]=3 1199 B9R1.7 CCSc1cn(cn1)C 62a_100000040308_100000210202 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.7 CCSc1cn(cn1)C 62a_100000210202_100000040308 [0,2,0,0,0,0|2,0,0]=4 1201 B9R1.7 CCSc1cnc(s1)Br 62a_100000210202_100012357534 [0,2,0,0,0,0|1,0,0]=3 1202 B9R1.7 CCSc1cnc(s1)Br 62a_100012357534_100000210202 [0,2,0,0,0,0|1,0,0]=3 1203 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,2,0,0,0,0|0,0,0]=2 1204 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,2,0,0,0,0|0,0,0]=2 1205 B9R1.7 CCSc1cnc(s1)N 62a_100000210202_100000718969 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.7 CCSc1cnc(s1)N 62a_100000718969_100000210202 [0,2,0,0,0,0|1,0,0]=3 1207 B9R1.7 CCSc1cnn(c1)C 62a_100000210202_100000745744 [0,2,0,0,0,0|2,0,0]=4 1208 B9R1.7 CCSc1cnn(c1)C 62a_100000745744_100000210202 [0,2,0,0,0,0|2,0,0]=4 1209 B9R1.7 CCSc1cnn(n1)C 62a_100000210202_100000733932 [0,2,0,0,0,0|2,0,0]=4 1210 B9R1.7 CCSc1cnn(n1)C 62a_100000733932_100000210202 [0,2,0,0,0,0|2,0,0]=4 1211 B9R1.7 CCSc1csc(c1)C 62a_100000210202_100000759034 [0,2,0,0,0,0|2,0,0]=4 1212 B9R1.7 CCSc1csc(c1)C 62a_100000759034_100000210202 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.7 CCSc1csc(n1)C 62a_100000210202_100011934587 [0,2,0,0,0,0|2,0,0]=4 1214 B9R1.7 CCSc1csc(n1)C 62a_100011934587_100000210202 [0,2,0,0,0,0|2,0,0]=4 1215 B9R1.7 CCSc1n[nH]c(n1)C 62a_100000210202_100000732540 [0,2,0,0,0,0|2,0,0]=4 1216 B9R1.7 CCSc1n[nH]c(n1)C 62a_100000732540_100000210202 [0,2,0,0,0,0|2,0,0]=4 1217 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [0,2,0,0,0,0|1,0,1]=4 1218 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [0,2,0,0,0,0|1,0,1]=4 1219 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [0,2,0,0,0,0|2,0,0]=4 1220 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [0,2,0,0,0,0|2,0,0]=4 1221 B9R1.7 CCSc1nc(ns1)C 62a_100000210202_100000709739 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.7 CCSc1nc(ns1)C 62a_100000709739_100000210202 [0,2,0,0,0,0|2,0,0]=4 1223 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [0,2,0,0,0,0|0,0,0]=2 1224 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [0,2,0,0,0,0|0,0,0]=2 1225 B9R1.7 CCSc1ncn(n1)C 62a_100000210202_100009819955 [0,2,0,0,0,0|2,0,0]=4 1226 B9R1.7 CCSc1ncn(n1)C 62a_100009819955_100000210202 [0,2,0,0,0,0|2,0,0]=4 1227 B9R1.7 CCSc1nnc(o1)C 62a_100000210202_100000708914 [0,2,0,0,0,0|1,1,0]=4 1228 B9R1.7 CCSc1nnc(s1)C 62a_100000210202_100000686958 [0,2,0,0,0,0|1,0,0]=3 1229 B9R1.7 CCSc1nnc(s1)C 62a_100000686958_100000210202 [0,2,0,0,0,0|1,0,0]=3 1230 B9R1.7 CCSc1nnc(s1)N 62a_100000210202_100000738278 [0,2,0,0,0,0|2,0,0]=4 1231 B9R1.7 CCSc1nnc(s1)N 62a_100000738278_100000210202 [0,2,0,0,0,0|2,0,0]=4 1232 B9R1.7 CCSc1noc(n1)C 62a_100000210202_100012003639 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.7 CCSc1noc(n1)C 62a_100012003639_100000210202 [0,2,0,0,0,0|2,0,0]=4 1234 B9R1.7 CNCc1c[nH]c(n1)C 207a_100102657272_100011219055 [0,2,0,0,0,0|1,0,1]=4 1235 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,2,0,0,0,0|2,0,0]=4 1236 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,2,0,0,0,0|2,0,0]=4 1237 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,2,0,0,0,0|2,0,0]=4 1238 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,2,0,0,0,0|2,0,0]=4 1239 B9R1.7 CNCc1cc(n[nH]1)C 207a_100102657272_100000028150 [0,2,0,0,0,0|2,0,0]=4 1240 B9R1.7 CNCc1cc(n[nH]1)C 270004a_106832991635_100000028150 [0,2,0,0,0,0|2,0,0]=4 1241 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [0,2,0,0,0,0|2,0,0]=4 1244 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [0,2,0,0,0,0|2,0,0]=4 1245 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [0,2,0,0,0,0|2,0,0]=4 1246 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [0,2,0,0,0,0|2,0,0]=4 1247 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [0,2,0,0,0,0|2,0,0]=4 1248 B9R1.7 CNCc1cc(on1)C 207a_100102657272_100011217994 [0,2,0,0,0,0|2,0,0]=4 1249 B9R1.7 CNCc1cc(on1)C 2230a_100000745230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B9R1.7 CNCc1cc(on1)C 2230a_106832991635_100000199038 [0,2,0,0,0,0|2,0,0]=4 1251 B9R1.7 CNCc1cc(on1)C 270004a_106832991635_100011217994 [0,2,0,0,0,0|2,0,0]=4 1252 B9R1.7 CNCc1cc(on1)C 34a_100000745230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1253 B9R1.7 CNCc1cc(on1)C 34a_100102657272_100000199038 [0,2,0,0,0,0|2,0,0]=4 1254 B9R1.7 CNCc1cc(on1)C 7a_106832991635_100000199038 [0,2,0,0,0,0|2,0,0]=4 1255 B9R1.7 CNCc1cc(sn1)C 207a_100102657272_200000100279 [0,2,0,0,0,0|2,0,0]=4 1256 B9R1.7 CNCc1cc(sn1)C 270004a_106832991635_200000100279 [0,2,0,0,0,0|2,0,0]=4 1257 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,2,0,0,0,0|1,1,0]=4 1258 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,2,0,0,0,0|1,1,0]=4 1259 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,2,0,0,0,0|1,1,0]=4 1260 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,2,0,0,0,0|2,0,0]=4 1261 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,2,0,0,0,0|2,0,0]=4 1262 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,2,0,0,0,0|2,0,0]=4 1263 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,2,0,0,0,0|2,0,0]=4 1264 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,2,0,0,0,0|2,0,0]=4 1265 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,2,0,0,0,0|1,0,0]=3 1266 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,2,0,0,0,0|1,0,0]=3 1267 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,2,0,0,0,0|1,0,0]=3 1268 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,2,0,0,0,0|2,0,0]=4 1269 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,2,0,0,0,0|2,0,0]=4 1270 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,2,0,0,0,0|2,0,0]=4 1271 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,2,0,0,0,0|2,0,0]=4 1272 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,2,0,0,0,0|2,0,0]=4 1273 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,2,0,0,0,0|2,0,0]=4 1274 B9R1.7 CNCc1cn(cn1)C 207a_100102657272_100000684808 [0,2,0,0,0,0|2,0,0]=4 1275 B9R1.7 CNCc1cn(cn1)C 2230a_106832991635_100000717665 [0,2,0,0,0,0|2,0,0]=4 1276 B9R1.7 CNCc1cn(cn1)C 270004a_106832991635_100000684808 [0,2,0,0,0,0|2,0,0]=4 1277 B9R1.7 CNCc1cn(cn1)C 34a_100102657272_100000717665 [0,2,0,0,0,0|2,0,0]=4 1278 B9R1.7 CNCc1cn(cn1)C 7a_106832991635_100000717665 [0,2,0,0,0,0|2,0,0]=4 1279 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,2,0,0,0,0|0,1,0]=3 1280 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,2,0,0,0,0|0,1,0]=3 1281 B9R1.7 CNCc1cnc(s1)Br 2230a_100000726991_200000210301 [0,2,0,0,0,0|1,0,0]=3 1282 B9R1.7 CNCc1cnc(s1)Br 2230a_106832991635_100000717027 [0,2,0,0,0,0|1,0,0]=3 1283 B9R1.7 CNCc1cnc(s1)Br 270004a_106832991635_100009814069 [0,2,0,0,0,0|1,0,0]=3 1284 B9R1.7 CNCc1cnc(s1)Br 34a_100102657272_100000717027 [0,2,0,0,0,0|1,0,0]=3 1285 B9R1.7 CNCc1cnc(s1)Br 7a_106832991635_100000717027 [0,2,0,0,0,0|1,0,0]=3 1286 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,2,0,0,0,0|0,0,0]=2 1287 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,2,0,0,0,0|0,0,0]=2 1288 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,2,0,0,0,0|0,0,0]=2 1289 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,2,0,0,0,0|0,0,0]=2 1290 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,2,0,0,0,0|0,0,0]=2 1291 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,2,0,0,0,0|0,0,0]=2 1292 B9R1.7 CNCc1cnc(s1)Cl 2230a_100000726635_200000210301 [0,2,0,0,0,0|1,0,0]=3 1293 B9R1.7 CNCc1cnc(s1)Cl 2230a_106832991635_100000058068 [0,2,0,0,0,0|1,0,0]=3 1294 B9R1.7 CNCc1cnc(s1)Cl 270004a_106832991635_100000696999 [0,2,0,0,0,0|1,0,0]=3 1295 B9R1.7 CNCc1cnc(s1)Cl 34a_100102657272_100000058068 [0,2,0,0,0,0|1,0,0]=3 1296 B9R1.7 CNCc1cnc(s1)Cl 7a_106832991635_100000058068 [0,2,0,0,0,0|1,0,0]=3 1297 B9R1.7 CNCc1cnn(c1)C 207a_100102657272_100000206001 [0,2,0,0,0,0|2,0,0]=4 1298 B9R1.7 CNCc1cnn(c1)C 2230a_106832991635_100000744441 [0,2,0,0,0,0|2,0,0]=4 1299 B9R1.7 CNCc1cnn(c1)C 270004a_106832991635_100000206001 [0,2,0,0,0,0|2,0,0]=4 1300 B9R1.7 CNCc1cnn(c1)C 34a_100000744365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1301 B9R1.7 CNCc1cnn(c1)C 34a_100102657272_100000744441 [0,2,0,0,0,0|2,0,0]=4 1302 B9R1.7 CNCc1cnn(c1)C 7a_106832991635_100000744441 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.7 CNCc1coc(n1)C 207a_100102657272_100011361629 [0,2,0,0,0,0|2,0,0]=4 1304 B9R1.7 CNCc1coc(n1)C 270004a_106832991635_100011361629 [0,2,0,0,0,0|2,0,0]=4 1305 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [0,2,0,0,0,0|2,0,0]=4 1306 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.7 CNCc1csc(n1)C 207a_100102657272_100000203724 [0,2,0,0,0,0|2,0,0]=4 1308 B9R1.7 CNCc1csc(n1)C 2230a_106832991635_100015186478 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.7 CNCc1csc(n1)C 270004a_106832991635_100000203724 [0,2,0,0,0,0|2,0,0]=4 1310 B9R1.7 CNCc1csc(n1)C 34a_100000707933_200000210301 [0,2,0,0,0,0|2,0,0]=4 1311 B9R1.7 CNCc1csc(n1)C 34a_100102657272_100015186478 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.7 CNCc1csc(n1)C 7a_106832991635_100015186478 [0,2,0,0,0,0|2,0,0]=4 1313 B9R1.7 CNCc1n[nH]c(n1)C 2230a_100000752542_200000210301 [0,2,0,0,0,0|2,0,0]=4 1314 B9R1.7 CNCc1nc(c[nH]1)C 207a_100102657272_100000082322 [0,2,0,0,0,0|1,0,1]=4 1315 B9R1.7 CNCc1nc(c[nH]1)C 270004a_106832991635_100000082322 [0,2,0,0,0,0|1,0,1]=4 1316 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [0,2,0,0,0,0|2,0,0]=4 1317 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [0,2,0,0,0,0|2,0,0]=4 1318 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [0,2,0,0,0,0|2,0,0]=4 1319 B9R1.7 CNCc1nc(no1)C 2230a_106832991635_100000735555 [0,2,0,0,0,0|2,0,0]=4 1320 B9R1.7 CNCc1nc(no1)C 34a_100102657272_100000735555 [0,2,0,0,0,0|2,0,0]=4 1321 B9R1.7 CNCc1nc(no1)C 7a_106832991635_100000735555 [0,2,0,0,0,0|2,0,0]=4 1322 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [0,2,0,0,0,0|0,1,0]=3 1323 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [0,2,0,0,0,0|0,1,0]=3 1324 B9R1.7 CNCc1ncc(s1)Br 270004a_106832991635_100000699580 [0,2,0,0,0,0|1,0,0]=3 1325 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [0,2,0,0,0,0|0,0,0]=2 1326 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [0,2,0,0,0,0|0,0,0]=2 1327 B9R1.7 CNCc1ncc(s1)Cl 270004a_106832991635_100000699884 [0,2,0,0,0,0|1,0,0]=3 1328 B9R1.7 CNCc1ncn(n1)C 207a_100102657272_100010630104 [0,2,0,0,0,0|2,0,0]=4 1329 B9R1.7 CNCc1ncn(n1)C 2230a_100000695864_200000210301 [0,2,0,0,0,0|2,0,0]=4 1330 B9R1.7 CNCc1ncn(n1)C 2230a_106832991635_100016995526 [0,2,0,0,0,0|2,0,0]=4 1331 B9R1.7 CNCc1ncn(n1)C 270004a_106832991635_100010630104 [0,2,0,0,0,0|2,0,0]=4 1332 B9R1.7 CNCc1ncn(n1)C 34a_100102657272_100016995526 [0,2,0,0,0,0|2,0,0]=4 1333 B9R1.7 CNCc1ncn(n1)C 7a_106832991635_100016995526 [0,2,0,0,0,0|2,0,0]=4 1334 B9R1.7 CNCc1nnc(o1)C 2230a_106832991635_100000181450 [0,2,0,0,0,0|1,1,0]=4 1335 B9R1.7 CNCc1nnc(o1)C 2230a_200000236979_200000210301 [0,2,0,0,0,0|1,1,0]=4 1336 B9R1.7 CNCc1nnc(o1)C 34a_200000236979_200000210301 [0,2,0,0,0,0|1,1,0]=4 1337 B9R1.7 CNCc1nnc(o1)C 7a_106832991635_100000181450 [0,2,0,0,0,0|1,1,0]=4 1338 B9R1.7 CNCc1nnc(s1)C 2230a_106832991635_100000688753 [0,2,0,0,0,0|1,0,0]=3 1339 B9R1.7 CNCc1nnc(s1)C 34a_100102657272_100000688753 [0,2,0,0,0,0|1,0,0]=3 1340 B9R1.7 CNCc1nnc(s1)C 7a_106832991635_100000688753 [0,2,0,0,0,0|1,0,0]=3 1341 B9R1.7 CNCc1noc(n1)C 2230a_106832991635_100000231061 [0,2,0,0,0,0|2,0,0]=4 1342 B9R1.7 CNCc1noc(n1)C 34a_100102657272_100000231061 [0,2,0,0,0,0|2,0,0]=4 1343 B9R1.7 CNCc1noc(n1)C 7a_106832991635_100000231061 [0,2,0,0,0,0|2,0,0]=4 1344 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,2,0,0,0,0|2,0,0]=4 1345 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,2,0,0,0,0|2,0,0]=4 1346 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,2,0,0,0,0|2,0,0]=4 1347 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,2,0,0,0,0|2,0,0]=4 1348 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [0,2,0,0,0,0|2,0,0]=4 1349 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [0,2,0,0,0,0|2,0,0]=4 1350 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,2,0,0,0,0|1,1,0]=4 1351 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,2,0,0,0,0|1,1,0]=4 1352 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,2,0,0,0,0|2,0,0]=4 1353 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,2,0,0,0,0|1,0,0]=3 1354 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,2,0,0,0,0|2,0,0]=4 1355 B9R1.7 COCc1cn(cn1)C 34a_100000710007_200000210301 [0,2,0,0,0,0|2,0,0]=4 1356 B9R1.7 COCc1cn(cn1)C 34a_100138415774_100000717665 [0,2,0,0,0,0|2,0,0]=4 1357 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [0,2,0,0,0,0|1,0,0]=3 1358 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [0,2,0,0,0,0|1,0,0]=3 1359 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,2,0,0,0,0|0,0,0]=2 1360 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,2,0,0,0,0|0,0,0]=2 1361 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [0,2,0,0,0,0|1,0,0]=3 1362 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [0,2,0,0,0,0|1,0,0]=3 1363 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [0,2,0,0,0,0|1,0,0]=3 1364 B9R1.7 COCc1cnn(c1)C 34a_100000239500_200000210301 [0,2,0,0,0,0|2,0,0]=4 1365 B9R1.7 COCc1cnn(c1)C 34a_100138415774_100000744441 [0,2,0,0,0,0|2,0,0]=4 1366 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [0,2,0,0,0,0|2,0,0]=4 1367 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [0,2,0,0,0,0|2,0,0]=4 1368 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [0,2,0,0,0,0|2,0,0]=4 1369 B9R1.7 COCc1nc(no1)C 270196a_100000212224_100000210968 [0,2,0,0,0,0|2,0,0]=4 1370 B9R1.7 COCc1nc(no1)C 34a_100000749583_200000210301 [0,2,0,0,0,0|2,0,0]=4 1371 B9R1.7 COCc1nc(no1)C 34a_100138415774_100000735555 [0,2,0,0,0,0|2,0,0]=4 1372 B9R1.7 COCc1ncn(n1)C 34a_100138415774_100016995526 [0,2,0,0,0,0|2,0,0]=4 1373 B9R1.7 COCc1nnc(o1)C 34a_100000749586_200000210301 [0,2,0,0,0,0|1,1,0]=4 1374 B9R1.7 COCc1nnc(s1)C 34a_100138415774_100000688753 [0,2,0,0,0,0|1,0,0]=3 1375 B9R1.7 COCc1nnc(s1)N 7a_100000691500_200000210301 [0,2,0,0,0,0|2,0,0]=4 1376 B9R1.7 COCc1noc(n1)C 270196a_100000195696_100000070787 [0,2,0,0,0,0|2,0,0]=4 1377 B9R1.7 COCc1noc(n1)C 34a_100138415774_100000231061 [0,2,0,0,0,0|2,0,0]=4 1378 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [0,2,0,0,0,0|2,0,0]=4 1379 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [0,2,0,0,0,0|2,0,0]=4 1380 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,2,0,0,0,0|2,0,0]=4 1381 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,2,0,0,0,0|2,0,0]=4 1382 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,2,0,0,0,0|2,0,0]=4 1383 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,2,0,0,0,0|2,0,0]=4 1384 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,2,0,0,0,0|2,0,0]=4 1386 B9R1.7 CSCc1cn(cn1)C 62a_100000717665_200000210301 [0,2,0,0,0,0|2,0,0]=4 1387 B9R1.7 CSCc1cn(cn1)C 62a_200000210301_100000717665 [0,2,0,0,0,0|2,0,0]=4 1388 B9R1.7 CSCc1cnc(s1)Br 62a_100000717027_200000210301 [0,2,0,0,0,0|1,0,0]=3 1389 B9R1.7 CSCc1cnc(s1)Br 62a_200000210301_100000717027 [0,2,0,0,0,0|1,0,0]=3 1390 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,2,0,0,0,0|0,0,0]=2 1391 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,2,0,0,0,0|0,0,0]=2 1392 B9R1.7 CSCc1cnc(s1)Cl 62a_100000058068_200000210301 [0,2,0,0,0,0|1,0,0]=3 1393 B9R1.7 CSCc1cnc(s1)Cl 62a_200000210301_100000058068 [0,2,0,0,0,0|1,0,0]=3 1394 B9R1.7 CSCc1cnn(c1)C 62a_100000744441_200000210301 [0,2,0,0,0,0|2,0,0]=4 1395 B9R1.7 CSCc1cnn(c1)C 62a_200000210301_100000744441 [0,2,0,0,0,0|2,0,0]=4 1396 B9R1.7 CSCc1csc(n1)C 62a_100015186478_200000210301 [0,2,0,0,0,0|2,0,0]=4 1397 B9R1.7 CSCc1csc(n1)C 62a_200000210301_100015186478 [0,2,0,0,0,0|2,0,0]=4 1398 B9R1.7 CSCc1nc(no1)C 270196a_100000212224_100000184570 [0,2,0,0,0,0|2,0,0]=4 1399 B9R1.7 CSCc1nc(no1)C 62a_100000735555_200000210301 [0,2,0,0,0,0|2,0,0]=4 1400 B9R1.7 CSCc1nc(no1)C 62a_200000210301_100000735555 [0,2,0,0,0,0|2,0,0]=4 1401 B9R1.7 CSCc1ncn(n1)C 62a_100016995526_200000210301 [0,2,0,0,0,0|2,0,0]=4 1402 B9R1.7 CSCc1ncn(n1)C 62a_200000210301_100016995526 [0,2,0,0,0,0|2,0,0]=4 1403 B9R1.7 CSCc1nnc(o1)C 62a_100000181450_200000210301 [0,2,0,0,0,0|1,1,0]=4 1404 B9R1.7 CSCc1nnc(o1)C 62a_200000210301_100000181450 [0,2,0,0,0,0|1,1,0]=4 1405 B9R1.7 CSCc1nnc(s1)C 62a_100000688753_200000210301 [0,2,0,0,0,0|1,0,0]=3 1406 B9R1.7 CSCc1nnc(s1)C 62a_200000210301_100000688753 [0,2,0,0,0,0|1,0,0]=3 1407 B9R1.7 CSCc1noc(n1)C 270196a_100000749773_100000070787 [0,2,0,0,0,0|2,0,0]=4 1408 B9R1.7 CSCc1noc(n1)C 62a_100000231061_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B9R1.7 CSCc1noc(n1)C 62a_200000210301_100000231061 [0,2,0,0,0,0|2,0,0]=4 1410 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100015361967_100161115468 [0,2,0,0,0,0|1,0,1]=4 1411 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100161115468_100015361967 [0,2,0,0,0,0|1,0,1]=4 1412 B9R1.7 Cc1cc(cs1)SCF 62a_100000759034_100015361967 [0,2,0,0,0,0|2,0,0]=4 1413 B9R1.7 Cc1cc(cs1)SCF 62a_100015361967_100000759034 [0,2,0,0,0,0|2,0,0]=4 1414 B9R1.7 Cc1cc(n[nH]1)SCF 62a_100009819999_100015361967 [0,2,0,0,0,0|2,0,0]=4 1415 B9R1.7 Cc1cc(n[nH]1)SCF 62a_100015361967_100009819999 [0,2,0,0,0,0|2,0,0]=4 1416 B9R1.7 Cc1cc(no1)CN[13CH3] 2230a_100000745230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1417 B9R1.7 Cc1cc(no1)CN[13CH3] 34a_100000745230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1418 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [0,2,0,0,0,0|2,0,0]=4 1419 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,2,0,0,0,0|2,0,0]=4 1420 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,2,0,0,0,0|2,0,0]=4 1421 B9R1.7 Cc1cc(no1)SCF 62a_100000716708_100015361967 [0,2,0,0,0,0|2,0,0]=4 1422 B9R1.7 Cc1cc(no1)SCF 62a_100015361967_100000716708 [0,2,0,0,0,0|2,0,0]=4 1423 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [0,2,0,0,0,0|2,0,0]=4 1424 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [0,2,0,0,0,0|2,0,0]=4 1425 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,2,0,0,0,0|2,0,0]=4 1426 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [0,2,0,0,0,0|2,0,0]=4 1427 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [0,2,0,0,0,0|2,0,0]=4 1428 B9R1.7 Cc1cc(sn1)SCF 62a_100009815735_100015361967 [0,2,0,0,0,0|2,0,0]=4 1429 B9R1.7 Cc1cc(sn1)SCF 62a_100015361967_100009815735 [0,2,0,0,0,0|2,0,0]=4 1430 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,2,0,0,0,0|1,1,0]=4 1431 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,2,0,0,0,0|1,1,0]=4 1432 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,2,0,0,0,0|1,1,0]=4 1433 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,2,0,0,0,0|1,0,0]=3 1434 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,2,0,0,0,0|1,0,0]=3 1435 B9R1.7 Cc1ccc(s1)SCF 62a_100000031368_100015361967 [0,2,0,0,0,0|1,0,0]=3 1436 B9R1.7 Cc1ccc(s1)SCF 62a_100015361967_100000031368 [0,2,0,0,0,0|1,0,0]=3 1437 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [0,2,0,0,0,0|0,1,0]=3 1438 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [0,2,0,0,0,0|0,1,0]=3 1439 B9R1.7 Cc1cnc(s1)SCF 62a_100000690809_100015361967 [0,2,0,0,0,0|0,0,0]=2 1440 B9R1.7 Cc1cnc(s1)SCF 62a_100015361967_100000690809 [0,2,0,0,0,0|0,0,0]=2 1441 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,2,0,0,0,0|2,0,0]=4 1442 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,2,0,0,0,0|2,0,0]=4 1443 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,2,0,0,0,0|2,0,0]=4 1444 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,2,0,0,0,0|2,0,0]=4 1445 B9R1.7 Cc1csc(c1)SCF 62a_100009876951_100015361967 [0,2,0,0,0,0|2,0,0]=4 1446 B9R1.7 Cc1csc(c1)SCF 62a_100015361967_100009876951 [0,2,0,0,0,0|2,0,0]=4 1447 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [0,2,0,0,0,0|2,0,0]=4 1448 B9R1.7 Cc1csc(n1)SCF 62a_100011291629_100015361967 [0,2,0,0,0,0|2,0,0]=4 1449 B9R1.7 Cc1csc(n1)SCF 62a_100015361967_100011291629 [0,2,0,0,0,0|2,0,0]=4 1450 B9R1.7 Cc1nc(c[nH]1)SCF 62a_100009814057_100015361967 [0,2,0,0,0,0|1,0,1]=4 1451 B9R1.7 Cc1nc(c[nH]1)SCF 62a_100015361967_100009814057 [0,2,0,0,0,0|1,0,1]=4 1452 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [0,2,0,0,0,0|2,0,0]=4 1453 B9R1.7 Cc1nc(cs1)CN[13CH3] 34a_100000707933_200025704644 [0,2,0,0,0,0|2,0,0]=4 1454 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [0,2,0,0,0,0|2,0,0]=4 1455 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_100015186478_200025704644 [0,2,0,0,0,0|2,0,0]=4 1456 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_200025704644_100015186478 [0,2,0,0,0,0|2,0,0]=4 1457 B9R1.7 Cc1nc(cs1)SCF 62a_100011934587_100015361967 [0,2,0,0,0,0|2,0,0]=4 1458 B9R1.7 Cc1nc(cs1)SCF 62a_100015361967_100011934587 [0,2,0,0,0,0|2,0,0]=4 1459 B9R1.7 Cc1nc(n[nH]1)CN[13CH3] 2230a_100000752542_200025704644 [0,2,0,0,0,0|2,0,0]=4 1460 B9R1.7 Cc1nc(n[nH]1)SCF 62a_100000732540_100015361967 [0,2,0,0,0,0|2,0,0]=4 1461 B9R1.7 Cc1nc(n[nH]1)SCF 62a_100015361967_100000732540 [0,2,0,0,0,0|2,0,0]=4 1462 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_100000231061_200025704644 [0,2,0,0,0,0|2,0,0]=4 1463 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_200025704644_100000231061 [0,2,0,0,0,0|2,0,0]=4 1464 B9R1.7 Cc1nc(no1)SCF 62a_100012003639_100015361967 [0,2,0,0,0,0|2,0,0]=4 1465 B9R1.7 Cc1nc(no1)SCF 62a_100015361967_100012003639 [0,2,0,0,0,0|2,0,0]=4 1466 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,2,0,0,0,0|0,0,0]=2 1467 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,2,0,0,0,0|0,0,0]=2 1468 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,2,0,0,0,0|0,0,0]=2 1469 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,2,0,0,0,0|0,0,0]=2 1470 B9R1.7 Cc1ncc(s1)SCF 62a_100000764884_100015361967 [0,2,0,0,0,0|0,0,0]=2 1471 B9R1.7 Cc1ncc(s1)SCF 62a_100015361967_100000764884 [0,2,0,0,0,0|0,0,0]=2 1472 B9R1.7 Cc1nnc(o1)CN[13CH3] 2230a_200000236979_200025704644 [0,2,0,0,0,0|1,1,0]=4 1473 B9R1.7 Cc1nnc(o1)CN[13CH3] 34a_200000236979_200025704644 [0,2,0,0,0,0|1,1,0]=4 1474 B9R1.7 Cc1nnc(o1)CO[13CH3] 34a_100000749586_200025704644 [0,2,0,0,0,0|1,1,0]=4 1475 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_100000181450_200025704644 [0,2,0,0,0,0|1,1,0]=4 1476 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_200025704644_100000181450 [0,2,0,0,0,0|1,1,0]=4 1477 B9R1.7 Cc1nnc(o1)SCF 62a_100015361967_100000708914 [0,2,0,0,0,0|1,1,0]=4 1478 B9R1.7 Cc1nnc(s1)CS[13CH3] 62a_100000688753_200025704644 [0,2,0,0,0,0|1,0,0]=3 1479 B9R1.7 Cc1nnc(s1)CS[13CH3] 62a_200025704644_100000688753 [0,2,0,0,0,0|1,0,0]=3 1480 B9R1.7 Cc1nnc(s1)SCF 62a_100000686958_100015361967 [0,2,0,0,0,0|1,0,0]=3 1481 B9R1.7 Cc1nnc(s1)SCF 62a_100015361967_100000686958 [0,2,0,0,0,0|1,0,0]=3 1482 B9R1.7 Cc1noc(n1)CCO 270196a_100000212224_100011216618 [0,2,0,0,0,0|2,0,0]=4 1483 B9R1.7 Cc1noc(n1)CO[13CH3] 34a_100000749583_200025704644 [0,2,0,0,0,0|2,0,0]=4 1484 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_100000735555_200025704644 [0,2,0,0,0,0|2,0,0]=4 1485 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_200025704644_100000735555 [0,2,0,0,0,0|2,0,0]=4 1486 B9R1.7 Cc1nsc(n1)SCF 62a_100000709739_100015361967 [0,2,0,0,0,0|2,0,0]=4 1487 B9R1.7 Cc1nsc(n1)SCF 62a_100015361967_100000709739 [0,2,0,0,0,0|2,0,0]=4 1488 B9R1.7 Cn1cc(cn1)CN[13CH3] 34a_100000744365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1489 B9R1.7 Cn1cc(cn1)CO[13CH3] 34a_100000239500_200025704644 [0,2,0,0,0,0|2,0,0]=4 1490 B9R1.7 Cn1cc(cn1)CS[13CH3] 62a_100000744441_200025704644 [0,2,0,0,0,0|2,0,0]=4 1491 B9R1.7 Cn1cc(cn1)CS[13CH3] 62a_200025704644_100000744441 [0,2,0,0,0,0|2,0,0]=4 1492 B9R1.7 Cn1cc(cn1)OCF 34a_100000707646_100015361967 [0,2,0,0,0,0|2,0,0]=4 1493 B9R1.7 Cn1cc(cn1)SCF 62a_100000745744_100015361967 [0,2,0,0,0,0|2,0,0]=4 1494 B9R1.7 Cn1cc(cn1)SCF 62a_100015361967_100000745744 [0,2,0,0,0,0|2,0,0]=4 1495 B9R1.7 Cn1cnc(c1)CO[13CH3] 34a_100000710007_200025704644 [0,2,0,0,0,0|2,0,0]=4 1496 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_100000717665_200025704644 [0,2,0,0,0,0|2,0,0]=4 1497 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_200025704644_100000717665 [0,2,0,0,0,0|2,0,0]=4 1498 B9R1.7 Cn1cnc(c1)SCF 62a_100000040308_100015361967 [0,2,0,0,0,0|2,0,0]=4 1499 B9R1.7 Cn1cnc(c1)SCF 62a_100015361967_100000040308 [0,2,0,0,0,0|2,0,0]=4 1500 B9R1.7 Cn1cnc(n1)CN[13CH3] 2230a_100000695864_200025704644 [0,2,0,0,0,0|2,0,0]=4 1501 B9R1.7 Cn1cnc(n1)CS[13CH3] 62a_100016995526_200025704644 [0,2,0,0,0,0|2,0,0]=4 1502 B9R1.7 Cn1cnc(n1)CS[13CH3] 62a_200025704644_100016995526 [0,2,0,0,0,0|2,0,0]=4 1503 B9R1.7 Cn1cnc(n1)SCF 62a_100009819955_100015361967 [0,2,0,0,0,0|2,0,0]=4 1504 B9R1.7 Cn1cnc(n1)SCF 62a_100015361967_100009819955 [0,2,0,0,0,0|2,0,0]=4 1505 B9R1.7 Cn1ncc(n1)SCF 62a_100000733932_100015361967 [0,2,0,0,0,0|2,0,0]=4 1506 B9R1.7 Cn1ncc(n1)SCF 62a_100015361967_100000733932 [0,2,0,0,0,0|2,0,0]=4 1507 B9R1.7 FCSc1ccc(s1)Br 62a_100010197418_100015361967 [0,2,0,0,0,0|2,0,0]=4 1508 B9R1.7 FCSc1ccc(s1)Br 62a_100015361967_100010197418 [0,2,0,0,0,0|2,0,0]=4 1509 B9R1.7 FCSc1cnc(s1)Br 62a_100012357534_100015361967 [0,2,0,0,0,0|1,0,0]=3 1510 B9R1.7 FCSc1cnc(s1)Br 62a_100015361967_100012357534 [0,2,0,0,0,0|1,0,0]=3 1511 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,2,0,0,0,0|2,0,0]=4 1512 B9R1.7 Nc1ncc(s1)SCF 62a_100000718969_100015361967 [0,2,0,0,0,0|1,0,0]=3 1513 B9R1.7 Nc1ncc(s1)SCF 62a_100015361967_100000718969 [0,2,0,0,0,0|1,0,0]=3 1514 B9R1.7 Nc1nnc(s1)SCF 62a_100000738278_100015361967 [0,2,0,0,0,0|2,0,0]=4 1515 B9R1.7 Nc1nnc(s1)SCF 62a_100015361967_100000738278 [0,2,0,0,0,0|2,0,0]=4 1516 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,2,0,0,0,0|2,0,0]=4 1517 B9R1.7 [13CH3]NCc1cnc(s1)Br 2230a_100000726991_200025704644 [0,2,0,0,0,0|1,0,0]=3 1518 B9R1.7 [13CH3]NCc1cnc(s1)Cl 2230a_100000726635_200025704644 [0,2,0,0,0,0|1,0,0]=3 1519 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [0,2,0,0,0,0|1,0,0]=3 1520 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [0,2,0,0,0,0|1,0,0]=3 1521 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [0,2,0,0,0,0|1,0,0]=3 1522 B9R1.7 [13CH3]OCc1nnc(s1)N 7a_100000691500_200025704644 [0,2,0,0,0,0|2,0,0]=4 1523 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,2,0,0,0,0|2,0,0]=4 1524 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,2,0,0,0,0|2,0,0]=4 1525 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,2,0,0,0,0|2,0,0]=4 1526 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,2,0,0,0,0|2,0,0]=4 1527 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_100000717027_200025704644 [0,2,0,0,0,0|1,0,0]=3 1528 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_200025704644_100000717027 [0,2,0,0,0,0|1,0,0]=3 1529 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_100000058068_200025704644 [0,2,0,0,0,0|1,0,0]=3 1530 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_200025704644_100000058068 [0,2,0,0,0,0|1,0,0]=3 1531 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,2,0,0,0,0|1,0,1]=4 1532 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,2,0,0,0,0|1,0,1]=4 1533 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,2,0,0,0,0|1,0,1]=4 1534 B9R1.21 C=Cc1cnc(s1)C=O 271570a_100011290941_100000699580 [0,2,0,0,0,0|0,0,2]=4 1535 B9R1.21 C=Cc1cnc(s1)CN 271570a_100011290941_100016991807 [0,2,0,0,0,0|0,0,1]=3 1536 B9R1.21 C=Cc1cnc(s1)CO 271570a_100011290941_100000696694 [0,2,0,0,0,0|0,0,1]=3 1537 B9R1.21 C=Cc1cnc(s1)OC 271570a_100011290941_100000729428 [0,2,0,0,0,0|0,0,1]=3 1538 B9R1.21 C=Cc1ncc(s1)C#N 271570a_100011290941_100009819632 [0,2,0,0,0,0|0,0,2]=4 1539 B9R1.21 C=Cc1ncc(s1)C=O 271570a_100011290941_100009814069 [0,2,0,0,0,0|0,0,2]=4 1540 B9R1.21 C=Cc1ncc(s1)CN 271570a_100011290941_100000726991 [0,2,0,0,0,0|0,0,1]=3 1541 B9R1.21 C=Cc1ncc(s1)CO 271570a_100011290941_100009816753 [0,2,0,0,0,0|0,0,1]=3 1542 B9R1.21 C=Cc1nnc(s1)NC 271570a_100011290941_200012111945 [0,2,0,0,0,0|1,0,1]=4 1543 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,2,0,0,0,0|2,0,0]=4 1544 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,2,0,0,0,0|2,0,0]=4 1545 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,2,0,0,0,0|2,0,0]=4 1546 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,2,0,0,0,0|2,0,0]=4 1547 B9R1.21 CCc1cc(no1)OC 34a_200009875660_200000210301 [0,2,0,0,0,0|2,0,0]=4 1548 B9R1.21 CCc1cc(no1)O[13CH3] 34a_200009875660_200025704644 [0,2,0,0,0,0|2,0,0]=4 1549 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,2,0,0,0,0|1,0,0]=3 1550 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,2,0,0,0,0|1,0,0]=3 1551 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,2,0,0,0,0|1,0,0]=3 1552 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,2,0,0,0,0|1,0,0]=3 1553 B9R1.21 CCc1nc(no1)CF 270196a_200000032654_100000210414 [0,2,0,0,0,0|2,0,0]=4 1554 B9R1.21 CCc1nc(no1)NC 27a_100102657272_100012003642 [0,2,0,0,0,0|2,0,0]=4 1555 B9R1.21 CCc1nc(no1)SC 62a_100012003642_200000210301 [0,2,0,0,0,0|2,0,0]=4 1556 B9R1.21 CCc1nc(no1)SC 62a_200000210301_100012003642 [0,2,0,0,0,0|2,0,0]=4 1557 B9R1.21 CCc1nc(no1)S[13CH3] 62a_100012003642_200025704644 [0,2,0,0,0,0|2,0,0]=4 1558 B9R1.21 CCc1nc(no1)S[13CH3] 62a_200025704644_100012003642 [0,2,0,0,0,0|2,0,0]=4 1559 B9R1.21 CCc1noc(n1)CC 270196a_200000212204_100000210414 [0,2,0,0,0,0|2,0,0]=4 1560 B9R1.21 CCc1noc(n1)CO 270196a_200000212204_100000210174 [0,2,0,0,0,0|2,0,0]=4 1561 B9R1.21 CCn1cc(cn1)OC 34a_100000708037_200000210301 [0,2,0,0,0,0|2,0,0]=4 1562 B9R1.21 CCn1cc(cn1)O[13CH3] 34a_100000708037_200025704644 [0,2,0,0,0,0|2,0,0]=4 1563 B9R1.21 CCn1cc(cn1)SC 62a_100011400201_200000210301 [0,2,0,0,0,0|2,0,0]=4 1564 B9R1.21 CCn1cc(cn1)SC 62a_200000210301_100011400201 [0,2,0,0,0,0|2,0,0]=4 1565 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_100011400201_200025704644 [0,2,0,0,0,0|2,0,0]=4 1566 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_200025704644_100011400201 [0,2,0,0,0,0|2,0,0]=4 1567 B9R1.21 CCn1cnc(c1)SC 62a_100010368372_200000210301 [0,2,0,0,0,0|2,0,0]=4 1568 B9R1.21 CCn1cnc(c1)SC 62a_200000210301_100010368372 [0,2,0,0,0,0|2,0,0]=4 1569 B9R1.21 CCn1cnc(c1)S[13CH3] 62a_100010368372_200025704644 [0,2,0,0,0,0|2,0,0]=4 1570 B9R1.21 CCn1cnc(c1)S[13CH3] 62a_200025704644_100010368372 [0,2,0,0,0,0|2,0,0]=4 1571 B9R1.21 CNc1ncc(s1)C#N 27a_100102657272_100009819632 [0,2,0,0,0,0|0,0,1]=3 1572 B9R1.21 CNc1ncc(s1)C=O 27a_100102657272_100009814069 [0,2,0,0,0,0|0,0,1]=3 1573 B9R1.21 CNc1nnc(s1)NC 27a_100102657272_200012111945 [0,2,0,0,0,0|1,0,0]=3 1574 B9R1.21 CNc1nnc(s1)SC 62a_200000210301_200012111945 [0,2,0,0,0,0|1,0,0]=3 1575 B9R1.21 CNc1nnc(s1)SC 62a_200012111945_200000210301 [0,2,0,0,0,0|1,0,0]=3 1576 B9R1.21 CNc1nnc(s1)S[13CH3] 62a_200012111945_200025704644 [0,2,0,0,0,0|1,0,0]=3 1577 B9R1.21 CNc1nnc(s1)S[13CH3] 62a_200025704644_200012111945 [0,2,0,0,0,0|1,0,0]=3 1578 B9R1.21 CNc1nsc(n1)SC 27a_100102657272_200010005773 [0,2,0,0,0,0|2,0,0]=4 1579 B9R1.21 COc1nc(cs1)SC 62a_100000727839_200000210301 [0,2,0,0,0,0|2,0,0]=4 1580 B9R1.21 COc1nc(cs1)SC 62a_200000210301_100000727839 [0,2,0,0,0,0|2,0,0]=4 1581 B9R1.21 COc1nc(cs1)S[13CH3] 62a_100000727839_200025704644 [0,2,0,0,0,0|2,0,0]=4 1582 B9R1.21 COc1nc(cs1)S[13CH3] 62a_200025704644_100000727839 [0,2,0,0,0,0|2,0,0]=4 1583 B9R1.21 COc1ncc(s1)SC 62a_100000729428_200000210301 [0,2,0,0,0,0|0,0,0]=2 1584 B9R1.21 COc1ncc(s1)SC 62a_200000210301_100000729428 [0,2,0,0,0,0|0,0,0]=2 1585 B9R1.21 COc1ncc(s1)S[13CH3] 62a_100000729428_200025704644 [0,2,0,0,0,0|0,0,0]=2 1586 B9R1.21 COc1ncc(s1)S[13CH3] 62a_200025704644_100000729428 [0,2,0,0,0,0|0,0,0]=2 1587 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200010256830_200025704644 [0,2,0,0,0,0|2,0,0]=4 1588 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200025704644_200010256830 [0,2,0,0,0,0|2,0,0]=4 1589 B9R1.21 CSc1cc(on1)CN 62a_100015193020_200000210301 [0,2,0,0,0,0|2,0,0]=4 1590 B9R1.21 CSc1cc(on1)CN 62a_200000210301_100015193020 [0,2,0,0,0,0|2,0,0]=4 1591 B9R1.21 CSc1cc(on1)CO 62a_100009816691_200000210301 [0,2,0,0,0,0|2,0,0]=4 1592 B9R1.21 CSc1cc(on1)CO 62a_200000210301_100009816691 [0,2,0,0,0,0|2,0,0]=4 1593 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,2,0,0,0,0|1,1,0]=4 1594 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,2,0,0,0,0|1,1,0]=4 1595 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,2,0,0,0,0|1,1,0]=4 1596 B9R1.21 CSc1ccc(s1)C#N 62a_200000210301_100000737243 [0,2,0,0,0,0|1,0,1]=4 1597 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,2,0,0,0,0|1,0,1]=4 1598 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,2,0,0,0,0|1,0,1]=4 1599 B9R1.21 CSc1ccc(s1)CN 62a_100000737305_200000210301 [0,2,0,0,0,0|1,0,0]=3 1600 B9R1.21 CSc1ccc(s1)CN 62a_200000210301_100000737305 [0,2,0,0,0,0|1,0,0]=3 1601 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,2,0,0,0,0|1,0,0]=3 1602 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,2,0,0,0,0|1,0,0]=3 1603 B9R1.21 CSc1cnc(s1)C=O 62a_100000699580_200000210301 [0,2,0,0,0,0|0,0,1]=3 1604 B9R1.21 CSc1cnc(s1)C=O 62a_200000210301_100000699580 [0,2,0,0,0,0|0,0,1]=3 1605 B9R1.21 CSc1cnc(s1)CN 62a_100016991807_200000210301 [0,2,0,0,0,0|0,0,0]=2 1606 B9R1.21 CSc1cnc(s1)CN 62a_200000210301_100016991807 [0,2,0,0,0,0|0,0,0]=2 1607 B9R1.21 CSc1cnc(s1)CO 62a_100000696694_200000210301 [0,2,0,0,0,0|0,0,0]=2 1608 B9R1.21 CSc1cnc(s1)CO 62a_200000210301_100000696694 [0,2,0,0,0,0|0,0,0]=2 1609 B9R1.21 CSc1csc(c1)CN 62a_100000741024_200000210301 [0,2,0,0,0,0|2,0,0]=4 1610 B9R1.21 CSc1csc(c1)CN 62a_200000210301_100000741024 [0,2,0,0,0,0|2,0,0]=4 1611 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [0,2,0,0,0,0|2,0,0]=4 1612 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [0,2,0,0,0,0|2,0,0]=4 1613 B9R1.21 CSc1csc(c1)SC 62a_200000210301_200010256830 [0,2,0,0,0,0|2,0,0]=4 1614 B9R1.21 CSc1csc(c1)SC 62a_200010256830_200000210301 [0,2,0,0,0,0|2,0,0]=4 1615 B9R1.21 CSc1csc(n1)CO 62a_100012000107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1616 B9R1.21 CSc1csc(n1)CO 62a_200000210301_100012000107 [0,2,0,0,0,0|2,0,0]=4 1617 B9R1.21 CSc1csc(n1)SC 62a_100000732701_200000210301 [0,2,0,0,0,0|2,0,0]=4 1618 B9R1.21 CSc1csc(n1)SC 62a_200000210301_100000732701 [0,2,0,0,0,0|2,0,0]=4 1619 B9R1.21 CSc1nc(cs1)CO 62a_100009816749_200000210301 [0,2,0,0,0,0|2,0,0]=4 1620 B9R1.21 CSc1nc(cs1)CO 62a_200000210301_100009816749 [0,2,0,0,0,0|2,0,0]=4 1621 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_100000732701_200025704644 [0,2,0,0,0,0|2,0,0]=4 1622 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_200025704644_100000732701 [0,2,0,0,0,0|2,0,0]=4 1623 B9R1.21 CSc1nc(ns1)S[13CH3] 62a_200010005773_200025704644 [0,2,0,0,0,0|2,0,0]=4 1624 B9R1.21 CSc1nc(ns1)S[13CH3] 62a_200025704644_200010005773 [0,2,0,0,0,0|2,0,0]=4 1625 B9R1.21 CSc1ncc(s1)C#N 62a_200000210301_100009819632 [0,2,0,0,0,0|0,0,1]=3 1626 B9R1.21 CSc1ncc(s1)C=O 62a_100009814069_200000210301 [0,2,0,0,0,0|0,0,1]=3 1627 B9R1.21 CSc1ncc(s1)C=O 62a_200000210301_100009814069 [0,2,0,0,0,0|0,0,1]=3 1628 B9R1.21 CSc1ncc(s1)CN 62a_100000726991_200000210301 [0,2,0,0,0,0|0,0,0]=2 1629 B9R1.21 CSc1ncc(s1)CN 62a_200000210301_100000726991 [0,2,0,0,0,0|0,0,0]=2 1630 B9R1.21 CSc1ncc(s1)CO 62a_100009816753_200000210301 [0,2,0,0,0,0|0,0,0]=2 1631 B9R1.21 CSc1ncc(s1)CO 62a_200000210301_100009816753 [0,2,0,0,0,0|0,0,0]=2 1632 B9R1.21 CSc1nsc(n1)SC 62a_200000210301_200010005773 [0,2,0,0,0,0|2,0,0]=4 1633 B9R1.21 CSc1nsc(n1)SC 62a_200010005773_200000210301 [0,2,0,0,0,0|2,0,0]=4 1634 B9R1.21 OCc1nc(no1)CF 270196a_200000032654_100000210174 [0,2,0,0,0,0|2,0,0]=4 1635 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_100015193020_200025704644 [0,2,0,0,0,0|2,0,0]=4 1636 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_200025704644_100015193020 [0,2,0,0,0,0|2,0,0]=4 1637 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_100009816691_200025704644 [0,2,0,0,0,0|2,0,0]=4 1638 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_200025704644_100009816691 [0,2,0,0,0,0|2,0,0]=4 1639 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,2,0,0,0,0|1,1,0]=4 1640 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,2,0,0,0,0|1,1,0]=4 1641 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,2,0,0,0,0|1,1,0]=4 1642 B9R1.21 [13CH3]Sc1ccc(s1)C#N 62a_200025704644_100000737243 [0,2,0,0,0,0|1,0,1]=4 1643 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,2,0,0,0,0|1,0,1]=4 1644 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,2,0,0,0,0|1,0,1]=4 1645 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_100000737305_200025704644 [0,2,0,0,0,0|1,0,0]=3 1646 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_200025704644_100000737305 [0,2,0,0,0,0|1,0,0]=3 1647 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,2,0,0,0,0|1,0,0]=3 1648 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,2,0,0,0,0|1,0,0]=3 1649 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_100000699580_200025704644 [0,2,0,0,0,0|0,0,1]=3 1650 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_200025704644_100000699580 [0,2,0,0,0,0|0,0,1]=3 1651 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_100016991807_200025704644 [0,2,0,0,0,0|0,0,0]=2 1652 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_200025704644_100016991807 [0,2,0,0,0,0|0,0,0]=2 1653 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_100000696694_200025704644 [0,2,0,0,0,0|0,0,0]=2 1654 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_200025704644_100000696694 [0,2,0,0,0,0|0,0,0]=2 1655 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_100000741024_200025704644 [0,2,0,0,0,0|2,0,0]=4 1656 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_200025704644_100000741024 [0,2,0,0,0,0|2,0,0]=4 1657 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [0,2,0,0,0,0|2,0,0]=4 1658 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [0,2,0,0,0,0|2,0,0]=4 1659 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_100012000107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1660 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_200025704644_100012000107 [0,2,0,0,0,0|2,0,0]=4 1661 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_100009816749_200025704644 [0,2,0,0,0,0|2,0,0]=4 1662 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_200025704644_100009816749 [0,2,0,0,0,0|2,0,0]=4 1663 B9R1.21 [13CH3]Sc1ncc(s1)C#N 62a_200025704644_100009819632 [0,2,0,0,0,0|0,0,1]=3 1664 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_100009814069_200025704644 [0,2,0,0,0,0|0,0,1]=3 1665 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_200025704644_100009814069 [0,2,0,0,0,0|0,0,1]=3 1666 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_100000726991_200025704644 [0,2,0,0,0,0|0,0,0]=2 1667 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_200025704644_100000726991 [0,2,0,0,0,0|0,0,0]=2 1668 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_100009816753_200025704644 [0,2,0,0,0,0|0,0,0]=2 1669 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_200025704644_100009816753 [0,2,0,0,0,0|0,0,0]=2 1670 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,2,0,0,0,0|1,0,0]=3 1671 B9R1.22 C=Cc1nc(cn1C)C 271570a_100011290941_100009816808 [0,2,0,0,0,0|2,0,0]=4 1672 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [0,2,0,0,0,0|0,0,0]=2 1673 B9R1.22 C=Cc1nc(sc1C)N 271570a_100011290941_100009817509 [0,2,0,0,0,0|1,0,0]=3 1674 B9R1.22 C=Cc1nn(cc1C)C 271570a_100011290941_100012644376 [0,2,0,0,0,0|2,0,0]=4 1675 B9R1.22 C=Cc1nn(nc1C)C 271570a_100011290941_200009884731 [0,2,0,0,0,0|2,0,0]=4 1676 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [0,2,0,0,0,0|1,0,1]=4 1677 B9R1.22 C=Cc1sc(nc1C)C 271570a_100011290941_100009814099 [0,2,0,0,0,0|0,0,1]=3 1678 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [0,2,0,0,0,0|2,0,0]=4 1679 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,2,0,0,0,0|2,0,0]=4 1680 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,2,0,0,0,0|2,0,0]=4 1681 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,2,0,0,0,0|1,0,0]=3 1682 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,2,0,0,0,0|1,0,0]=3 1683 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [0,2,0,0,0,0|2,0,0]=4 1684 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [0,2,0,0,0,0|2,0,0]=4 1685 B9R1.22 CSc1cn(nc1N)C 62a_100010776223_200000210301 [0,2,0,0,0,0|2,0,0]=4 1686 B9R1.22 CSc1cn(nc1N)C 62a_200000210301_100010776223 [0,2,0,0,0,0|2,0,0]=4 1687 B9R1.22 CSc1nc([nH]c1C)C 62a_200000210301_200009820778 [0,2,0,0,0,0|1,0,0]=3 1688 B9R1.22 CSc1nc([nH]c1C)C 62a_200009820778_200000210301 [0,2,0,0,0,0|1,0,0]=3 1689 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [0,2,0,0,0,0|1,0,1]=4 1690 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [0,2,0,0,0,0|1,0,1]=4 1691 B9R1.22 CSc1nc(sc1C)C 62a_100010270876_200000210301 [0,2,0,0,0,0|0,0,0]=2 1692 B9R1.22 CSc1nc(sc1C)C 62a_200000210301_100010270876 [0,2,0,0,0,0|0,0,0]=2 1693 B9R1.22 CSc1nc(sc1C)N 62a_100009817509_200000210301 [0,2,0,0,0,0|1,0,0]=3 1694 B9R1.22 CSc1nc(sc1C)N 62a_200000210301_100009817509 [0,2,0,0,0,0|1,0,0]=3 1695 B9R1.22 CSc1nn(cc1C)C 62a_100011072604_200000210301 [0,2,0,0,0,0|2,0,0]=4 1696 B9R1.22 CSc1nn(cc1C)C 62a_200000210301_100011072604 [0,2,0,0,0,0|2,0,0]=4 1697 B9R1.22 CSc1nn(nc1C)C 62a_200000210301_200009884731 [0,2,0,0,0,0|2,0,0]=4 1698 B9R1.22 CSc1nn(nc1C)C 62a_200009884731_200000210301 [0,2,0,0,0,0|2,0,0]=4 1699 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,2,0,0,0,0|1,0,0]=3 1700 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,2,0,0,0,0|1,0,0]=3 1701 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [0,2,0,0,0,0|0,0,0]=2 1702 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [0,2,0,0,0,0|0,0,0]=2 1703 B9R1.22 CSc1sc(nc1C)N 62a_100159269596_200000210301 [0,2,0,0,0,0|1,0,0]=3 1704 B9R1.22 CSc1sc(nc1C)N 62a_200000210301_100159269596 [0,2,0,0,0,0|1,0,0]=3 1705 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,2,0,0,0,0|1,0,0]=3 1706 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,2,0,0,0,0|1,0,0]=3 1707 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [0,2,0,0,0,0|1,0,1]=4 1708 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,2,0,0,0,0|1,0,0]=3 1709 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,2,0,0,0,0|1,0,0]=3 1710 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [0,2,0,0,0,0|2,0,0]=4 1711 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,2,0,0,0,0|2,0,0]=4 1712 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,2,0,0,0,0|2,0,0]=4 1713 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [0,2,0,0,0,0|1,0,1]=4 1714 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [0,2,0,0,0,0|1,0,1]=4 1715 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_100011072604_200025704644 [0,2,0,0,0,0|2,0,0]=4 1716 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_200025704644_100011072604 [0,2,0,0,0,0|2,0,0]=4 1717 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200009820778_200025704644 [0,2,0,0,0,0|1,0,0]=3 1718 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200025704644_200009820778 [0,2,0,0,0,0|1,0,0]=3 1719 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_100010270876_200025704644 [0,2,0,0,0,0|0,0,0]=2 1720 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_200025704644_100010270876 [0,2,0,0,0,0|0,0,0]=2 1721 B9R1.22 Cc1nc(c(s1)O)CO 271570a_203496583355_100011103066 [0,2,0,0,0,0|1,0,0]=3 1722 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [0,2,0,0,0,0|0,0,0]=2 1723 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [0,2,0,0,0,0|0,0,0]=2 1724 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [0,2,0,0,0,0|1,0,1]=4 1725 B9R1.22 Cc1nc(sc1CO)O 271570a_203496583355_100010264302 [0,2,0,0,0,0|1,0,0]=3 1726 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_100159269596_200025704644 [0,2,0,0,0,0|1,0,0]=3 1727 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_200025704644_100159269596 [0,2,0,0,0,0|1,0,0]=3 1728 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1729 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [0,2,0,0,0,0|2,0,0]=4 1730 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200009884731_200025704644 [0,2,0,0,0,0|2,0,0]=4 1731 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200025704644_200009884731 [0,2,0,0,0,0|2,0,0]=4 1732 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [0,2,0,0,0,0|1,1,0]=4 1733 B9R1.22 Cc1sc(nc1CO)O 271570a_203496583355_100010127906 [0,2,0,0,0,0|1,0,0]=3 1734 B9R1.22 Cc1sc(nc1S[13CH3])N 62a_100009817509_200025704644 [0,2,0,0,0,0|1,0,0]=3 1735 B9R1.22 Cc1sc(nc1S[13CH3])N 62a_200025704644_100009817509 [0,2,0,0,0,0|1,0,0]=3 1736 B9R1.22 Cn1cc(c(n1)N)S[13CH3] 62a_100010776223_200025704644 [0,2,0,0,0,0|2,0,0]=4 1737 B9R1.22 Cn1cc(c(n1)N)S[13CH3] 62a_200025704644_100010776223 [0,2,0,0,0,0|2,0,0]=4 1738 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,2,0,0,0,0|1,0,1]=4 1739 B9R1.23 C=Cc1nc(c(s1)C)C 271570a_100011290941_100000765934 [0,2,0,0,0,0|0,0,1]=3 1740 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [0,2,0,0,0,0|1,0,0]=3 1741 B9R1.23 CNc1nc(c(s1)C)C 27a_100102657272_100000765934 [0,2,0,0,0,0|0,0,0]=2 1742 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,2,0,0,0,0|1,0,0]=3 1743 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,2,0,0,0,0|1,0,0]=3 1744 B9R1.23 CSc1cc(n(n1)C)C 62a_100012001299_200000210301 [0,2,0,0,0,0|2,0,0]=4 1745 B9R1.23 CSc1cc(n(n1)C)C 62a_200000210301_100012001299 [0,2,0,0,0,0|2,0,0]=4 1746 B9R1.23 CSc1cn(c(n1)C)C 62a_100000684932_200000210301 [0,2,0,0,0,0|1,0,1]=4 1747 B9R1.23 CSc1cn(c(n1)C)C 62a_200000210301_100000684932 [0,2,0,0,0,0|1,0,1]=4 1748 B9R1.23 CSc1cn(c(n1)N)C 62a_100025756272_200000210301 [0,2,0,0,0,0|2,0,0]=4 1749 B9R1.23 CSc1cn(c(n1)N)C 62a_200000210301_100025756272 [0,2,0,0,0,0|2,0,0]=4 1750 B9R1.23 CSc1nc(c(s1)C)C 62a_100000765934_200000210301 [0,2,0,0,0,0|0,0,0]=2 1751 B9R1.23 CSc1nc(c(s1)C)C 62a_200000210301_100000765934 [0,2,0,0,0,0|0,0,0]=2 1752 B9R1.23 CSc1nc(n(n1)C)N 62a_200000210301_200010296169 [0,2,0,0,0,0|2,0,0]=4 1753 B9R1.23 CSc1nc(n(n1)C)N 62a_200010296169_200000210301 [0,2,0,0,0,0|2,0,0]=4 1754 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_100012001299_200025704644 [0,2,0,0,0,0|2,0,0]=4 1755 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_200025704644_100012001299 [0,2,0,0,0,0|2,0,0]=4 1756 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,2,0,0,0,0|1,0,0]=3 1757 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,2,0,0,0,0|1,0,0]=3 1758 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_100000684932_200025704644 [0,2,0,0,0,0|1,0,1]=4 1759 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_200025704644_100000684932 [0,2,0,0,0,0|1,0,1]=4 1760 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_100000765934_200025704644 [0,2,0,0,0,0|0,0,0]=2 1761 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_200025704644_100000765934 [0,2,0,0,0,0|0,0,0]=2 1762 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,2,0,0,0,0|1,0,1]=4 1763 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,2,0,0,0,0|1,0,0]=3 1764 B9R1.23 Cn1cc(nc1N)S[13CH3] 62a_100025756272_200025704644 [0,2,0,0,0,0|2,0,0]=4 1765 B9R1.23 Cn1cc(nc1N)S[13CH3] 62a_200025704644_100025756272 [0,2,0,0,0,0|2,0,0]=4 1766 B9R1.23 Cn1nc(nc1N)S[13CH3] 62a_200010296169_200025704644 [0,2,0,0,0,0|2,0,0]=4 1767 B9R1.23 Cn1nc(nc1N)S[13CH3] 62a_200025704644_200010296169 [0,2,0,0,0,0|2,0,0]=4 1768 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,2,0,0,0,0|1,0,1]=4 1769 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,2,0,0,0,0|2,0,0]=4 1770 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,2,0,0,0,0|2,0,0]=4 1771 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,2,0,0,0,0|2,0,0]=4 1772 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,2,0,0,0,0|2,0,0]=4 1773 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,2,0,0,0,0|1,0,0]=3 1774 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,2,0,0,0,0|2,0,0]=4 1775 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,2,0,0,0,0|0,0,0]=2 1776 B9R1.35 C=C(C)c1cnn(c1)C 271570a_100000694244_100000748075 [0,2,0,0,0,0|2,0,0]=4 1777 B9R1.35 C=C(C)c1cnn(n1)C 271570a_100000694244_100000733932 [0,2,0,0,0,0|2,0,0]=4 1778 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,2,0,0,0,0|2,0,0]=4 1779 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,2,0,0,0,0|2,0,0]=4 1780 B9R1.35 C=C(C)c1n[nH]c(n1)C 271570a_100000694244_100000732540 [0,2,0,0,0,0|2,0,0]=4 1781 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,2,0,0,0,0|1,0,1]=4 1782 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,2,0,0,0,0|2,0,0]=4 1783 B9R1.35 C=C(C)c1nc(ns1)C 271570a_100000694244_100000709739 [0,2,0,0,0,0|2,0,0]=4 1784 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,2,0,0,0,0|0,0,0]=2 1785 B9R1.35 C=C(C)c1ncn(n1)C 271570a_100000694244_100009819955 [0,2,0,0,0,0|2,0,0]=4 1786 B9R1.35 C=C(C)c1nnc(o1)C 271570a_100000694244_100000708914 [0,2,0,0,0,0|1,1,0]=4 1787 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [0,2,0,0,0,0|1,0,0]=3 1788 B9R1.35 C=C(C)c1nnc(s1)N 271570a_100000694244_100000738278 [0,2,0,0,0,0|2,0,0]=4 1789 B9R1.35 C=C(C)c1noc(n1)C 271570a_100000694244_100012003639 [0,2,0,0,0,0|2,0,0]=4 1790 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,2,0,0,0,0|2,0,0]=4 1791 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,2,0,0,0,0|1,0,0]=3 1792 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,2,0,0,0,0|1,0,0]=3 1793 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [0,2,0,0,0,0|1,0,0]=3 1794 B9R1.35 CC(C)c1nnc(s1)O 271570a_203496583355_100000687747 [0,2,0,0,0,0|2,0,0]=4 1795 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,2,0,0,0,0|2,0,0]=4 1796 B9R1.35 CN(C)c1ncc(s1)O 271570a_203496583355_100012356744 [0,2,0,0,0,0|1,0,0]=3 1797 B9R1.35 CN(C)c1nnc(s1)N 27a_100102631434_100000738278 [0,2,0,0,0,0|2,0,0]=4 1798 B9R1.35 Cc1nc(no1)C(C)C 270196a_100000210513_100000070787 [0,2,0,0,0,0|2,0,0]=4 1799 B9R1.35 Cc1nc(no1)N(C)C 27a_100102631434_100012003639 [0,2,0,0,0,0|2,0,0]=4 1800 B9R1.35 Cc1nnc(o1)N(C)C 27a_100102631434_100000708914 [0,2,0,0,0,0|1,1,0]=4 1801 B9R1.35 Cc1nnc(s1)N(C)C 27a_100102631434_100000686958 [0,2,0,0,0,0|1,0,0]=3 1802 B9R1.35 Cc1noc(n1)C(C)C 270196a_100000212224_100000210198 [0,2,0,0,0,0|2,0,0]=4 1803 B9R1.35 Cc1noc(n1)C(C)F 270196a_100000212224_100000062450 [0,2,0,0,0,0|2,0,0]=4 1804 B9R1.35 Cc1noc(n1)C(F)F 270196a_100000212224_100000210393 [0,2,0,0,0,0|2,0,0]=4 1805 B9R1.35 Cc1noc(n1)C(O)O 270196a_100000212224_100000233687 [0,2,0,0,0,0|2,0,0]=4 1806 B9R1.35 Cc1noc(n1)[C@@H](C)O 270196a_100000212224_100000717761 [0,2,0,0,0,0|2,0,0]=4 1807 B9R1.35 Cc1noc(n1)[C@H](C)O 270196a_100000212224_217856618621 [0,2,0,0,0,0|2,0,0]=4 1808 B9R1.35 Cc1nsc(n1)N(C)C 27a_100102631434_100000709739 [0,2,0,0,0,0|2,0,0]=4 1809 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,2,0,0,0,0|1,0,1]=4 1810 B9R1.35 Oc1ccc(s1)C(F)F 271570a_203496583355_100000733805 [0,2,0,0,0,0|2,0,0]=4 1811 B9R1.35 Oc1cnc(s1)C(F)F 271570a_203496583355_100010742959 [0,2,0,0,0,0|1,0,0]=3 1812 B9R1.35 Oc1nnc(s1)C(F)F 271570a_203496583355_100000688492 [0,2,0,0,0,0|2,0,0]=4 1813 B9R1.132 C=Cc1cnc(n1C)C 271570a_100011290941_100000762843 [0,2,0,0,0,0|1,0,1]=4 1814 B9R1.132 C=Cc1ncc(n1C)C 271570a_100011290941_100009816807 [0,2,0,0,0,0|1,0,1]=4 1815 B9R1.132 COc1noc(c1Br)C 34a_100010730664_200000210301 [0,2,0,0,0,0|2,0,0]=4 1816 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [0,2,0,0,0,0|1,0,0]=3 1817 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [0,2,0,0,0,0|1,0,0]=3 1818 B9R1.132 CSc1cnn(c1C)C 62a_100012354625_200000210301 [0,2,0,0,0,0|2,0,0]=4 1819 B9R1.132 CSc1cnn(c1C)C 62a_200000210301_100012354625 [0,2,0,0,0,0|2,0,0]=4 1820 B9R1.132 CSc1cnn(c1F)C 62a_200000210301_200011161937 [0,2,0,0,0,0|2,0,0]=4 1821 B9R1.132 CSc1cnn(c1F)C 62a_200011161937_200000210301 [0,2,0,0,0,0|2,0,0]=4 1822 B9R1.132 CSc1cnn(c1N)C 62a_100020588448_200000210301 [0,2,0,0,0,0|2,0,0]=4 1823 B9R1.132 CSc1cnn(c1N)C 62a_200000210301_100020588448 [0,2,0,0,0,0|2,0,0]=4 1824 B9R1.132 CSc1csc(c1C)C 62a_100009820295_200000210301 [0,2,0,0,0,0|2,0,0]=4 1825 B9R1.132 CSc1csc(c1C)C 62a_200000210301_100009820295 [0,2,0,0,0,0|2,0,0]=4 1826 B9R1.132 CSc1n[nH]c(c1C)C 62a_100015309786_200000210301 [0,2,0,0,0,0|2,0,0]=4 1827 B9R1.132 CSc1n[nH]c(c1C)C 62a_200000210301_100015309786 [0,2,0,0,0,0|2,0,0]=4 1828 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [0,2,0,0,0,0|1,0,0]=3 1829 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [0,2,0,0,0,0|1,0,0]=3 1830 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_100015309786_200025704644 [0,2,0,0,0,0|2,0,0]=4 1831 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_200025704644_100015309786 [0,2,0,0,0,0|2,0,0]=4 1832 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_100012354625_200025704644 [0,2,0,0,0,0|2,0,0]=4 1833 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_200025704644_100012354625 [0,2,0,0,0,0|2,0,0]=4 1834 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [0,2,0,0,0,0|1,0,0]=3 1835 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [0,2,0,0,0,0|1,0,0]=3 1836 B9R1.132 Cc1n[nH]c(c1O)CO 271570a_203496583355_100015664438 [0,2,0,0,0,0|2,0,0]=4 1837 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [0,2,0,0,0,0|1,0,0]=3 1838 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [0,2,0,0,0,0|1,0,0]=3 1839 B9R1.132 Cc1onc(c1Br)O[13CH3] 34a_100010730664_200025704644 [0,2,0,0,0,0|2,0,0]=4 1840 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_100009820295_200025704644 [0,2,0,0,0,0|2,0,0]=4 1841 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_200025704644_100009820295 [0,2,0,0,0,0|2,0,0]=4 1842 B9R1.132 Cn1c(cnc1CO)O 271570a_203496583355_100009817024 [0,2,0,0,0,0|2,0,0]=4 1843 B9R1.132 Cn1ncc(c1F)S[13CH3] 62a_200011161937_200025704644 [0,2,0,0,0,0|2,0,0]=4 1844 B9R1.132 Cn1ncc(c1F)S[13CH3] 62a_200025704644_200011161937 [0,2,0,0,0,0|2,0,0]=4 1845 B9R1.132 Cn1ncc(c1N)S[13CH3] 62a_100020588448_200025704644 [0,2,0,0,0,0|2,0,0]=4 1846 B9R1.132 Cn1ncc(c1N)S[13CH3] 62a_200025704644_100020588448 [0,2,0,0,0,0|2,0,0]=4 1847 B9R1.132 Cn1ncc(c1O)CO 271570a_203496583355_100011063722 [0,2,0,0,0,0|2,0,0]=4 1848 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [0,2,0,0,0,0|2,0,0]=4 1849 B9R1.27 C=Cc1c(n[nH]c1C)C 271570a_100011290941_100000238710 [0,2,0,0,0,0|2,0,0]=4 1850 B9R1.27 C=Cc1c(noc1C)C 271570a_100011290941_100000694658 [0,2,0,0,0,0|2,0,0]=4 1851 B9R1.27 COc1c(n[nH]c1C)C 34a_100012186652_200000210301 [0,2,0,0,0,0|2,0,0]=4 1852 B9R1.27 CSc1c(n[nH]c1C)C 62a_100000238710_200000210301 [0,2,0,0,0,0|2,0,0]=4 1853 B9R1.27 CSc1c(n[nH]c1C)C 62a_200000210301_100000238710 [0,2,0,0,0,0|2,0,0]=4 1854 B9R1.27 CSc1c(noc1C)C 62a_100000694658_200000210301 [0,2,0,0,0,0|2,0,0]=4 1855 B9R1.27 CSc1c(noc1C)C 62a_200000210301_100000694658 [0,2,0,0,0,0|2,0,0]=4 1856 B9R1.27 Cc1n[nH]c(c1O[13CH3])C 34a_100012186652_200025704644 [0,2,0,0,0,0|2,0,0]=4 1857 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_100000238710_200025704644 [0,2,0,0,0,0|2,0,0]=4 1858 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_200025704644_100000238710 [0,2,0,0,0,0|2,0,0]=4 1859 B9R1.27 Cc1noc(c1S[13CH3])C 62a_100000694658_200025704644 [0,2,0,0,0,0|2,0,0]=4 1860 B9R1.27 Cc1noc(c1S[13CH3])C 62a_200025704644_100000694658 [0,2,0,0,0,0|2,0,0]=4 1861 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,1,0,1,0|1,0,0]=3 1862 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,1,0,1,0|1,0,0]=3