0 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,0,0,0,0,0|3,1,0]=4 15 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|1,1,0]=3 25 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|1,0,0]=2 26 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|2,0,0]=3 27 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [1,0,0,0,0,0|2,1,0]=4 31 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.11 C=Cc1cnoc1C 271570a_100011290941_100009872056 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.11 C=Cc1cscc1Br 271570a_100011290941_100010143727 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [0,1,0,0,0,0|0,0,1]=2 39 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.11 CSc1c[nH]nc1Br 62a_100011012988_200000210301 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.11 CSc1c[nH]nc1Br 62a_200000210301_100011012988 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.11 CSc1c[nH]nc1F 62a_100015597042_200000210301 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.11 CSc1c[nH]nc1F 62a_200000210301_100015597042 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.11 CSc1c[nH]nc1N 62a_100000717100_200000210301 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.11 CSc1c[nH]nc1N 62a_200000210301_100000717100 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [0,1,0,0,0,0|2,1,0]=4 62 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [0,1,0,0,0,0|2,1,0]=4 63 B8R1.11 CSc1cscc1Br 62a_100010143727_200000210301 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.11 CSc1cscc1Br 62a_200000210301_100010143727 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,1,0,0,0,0|0,0,0]=1 66 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,1,0,0,0,0|0,0,0]=1 67 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,1,0,0,0,0|0,0,0]=1 93 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,1,0,0,0,0|0,0,0]=1 94 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.11 N#Cc1cscc1O 271570a_203496583355_100011934119 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_100011012988_200025704644 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_200025704644_100011012988 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_100015597042_200025704644 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_200025704644_100015597042 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_100000717100_200025704644 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_200025704644_100000717100 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [0,1,0,0,0,0|2,1,0]=4 124 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [0,1,0,0,0,0|2,1,0]=4 125 B8R1.11 [13CH3]Sc1cscc1Br 62a_100010143727_200025704644 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.11 [13CH3]Sc1cscc1Br 62a_200025704644_100010143727 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,1,0,0,0,0|2,1,0]=4 149 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,1,0,0,0,0|2,1,0]=4 150 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,1,0,0,0|2,0,0]=3 155 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,1,0,0,0|2,0,0]=3 156 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,1,0,0,0|2,0,1]=4 157 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,1,0,0,0|2,0,1]=4 158 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,0,0|2,0,1]=4 162 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,0,0|2,0,1]=4 163 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,1,0,0,0|2,0,1]=4 164 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,1,0,0,0|2,0,1]=4 166 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,1,0,0,0|2,0,1]=4 167 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,1,0,0,0|2,0,1]=4 168 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,1,0,0,0|2,0,1]=4 169 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,1,0,0,0|2,0,1]=4 171 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,1,0,0,0|2,0,1]=4 172 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,1,0,0,0|2,0,1]=4 173 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 174 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 175 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 176 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 177 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 178 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 179 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,0,0,0,1|3,0,0]=4 180 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,1|2,0,0]=3 182 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,0,0,1|2,0,0]=3 183 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,0,0,0,0,1|2,0,0]=3 186 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,0,0,0,0,1|2,0,0]=3 187 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,0,0,1|3,0,0]=4 189 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,0,0,0,0,1|3,0,0]=4 192 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,0,0,0,0,1|3,0,0]=4 193 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,0,0,0,1|3,0,0]=4 194 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [0,0,0,0,0,1|3,0,0]=4 195 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [0,0,0,0,0,1|3,0,0]=4 197 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.5 Nc1cnncc1O 271570a_203496583355_100009829405 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.5 Nc1ncncc1O 271570a_203496583355_100011996079 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.5 Oc1cncnc1Br 271570a_203496583355_200012461658 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.5 Oc1cncnc1Cl 271570a_203496583355_100000758962 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.5 Oc1ncncc1F 271570a_203496583355_100000069762 [0,0,0,0,0,1|3,0,0]=4 250 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,1,0,0,0|0,0,2]=4 251 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,1,0,0,0|0,0,2]=4 252 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,1,0,0,0|0,0,2]=4 253 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,1,0,0,0|0,0,2]=4 254 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|2,0,0]=4 255 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|2,0,0]=4 256 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|2,0,0]=4 257 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|2,0,0]=4 259 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|2,0,0]=4 260 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|2,0,0]=4 261 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|2,0,0]=4 262 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|1,0,1]=4 263 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|1,0,1]=4 264 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,1,0,0,0|1,0,1]=4 265 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,1,0,0,0|1,0,1]=4 267 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,1,0,0,0|0,0,2]=4 268 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,1,0,0,0|0,0,2]=4 269 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,1,0,0,0|0,0,2]=4 270 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,1,0,0,0|0,0,2]=4 271 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 272 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|1,0,1]=4 273 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 274 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,1,0,0,0|1,0,1]=4 275 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,1,0,0,0|0,0,2]=4 276 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,1,0,0,0|0,0,2]=4 277 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,1,0,0,0|0,0,2]=4 278 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,1,0,0,0|0,0,2]=4 279 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,0,1]=4 280 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|2,0,0]=4 281 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|2,0,0]=4 282 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|1,0,1]=4 283 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|1,0,1]=4 284 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,1,0,0,0|1,0,1]=4 285 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,1,0,0,0|0,1,0]=3 287 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,1,0,0,0|0,1,0]=3 288 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,1,0,0,0|1,0,1]=4 289 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,1,0,0,0|1,0,1]=4 290 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|1,0,1]=4 291 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,1,0,0,0|1,0,1]=4 293 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,1,0,0,0|1,0,1]=4 294 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,1,1,0,0,0|1,0,1]=4 295 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,1,1,0,0,0|1,0,1]=4 296 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,1,1,0,0,0|1,0,1]=4 297 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,1,1,0,0,0|1,0,1]=4 298 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,1,0,0,0|0,0,2]=4 299 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,1,0,0,0|0,0,2]=4 300 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [0,1,1,0,0,0|1,0,1]=4 301 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [0,1,1,0,0,0|1,0,1]=4 302 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [0,1,1,0,0,0|1,0,1]=4 303 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,1,1,0,0,0|0,0,2]=4 305 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,1,1,0,0,0|0,0,2]=4 306 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,1,1,0,0,0|0,0,2]=4 307 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,1,1,0,0,0|0,0,2]=4 308 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,1,1,0,0,0|1,0,1]=4 309 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,1,1,0,0,0|1,0,1]=4 310 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,1,0,0,0|0,0,2]=4 311 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,1,0,0,0|0,0,2]=4 312 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [0,1,1,0,0,0|1,0,1]=4 313 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [0,1,1,0,0,0|1,0,1]=4 314 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [0,1,1,0,0,0|1,0,1]=4 315 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [0,1,1,0,0,0|1,0,1]=4 316 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,1,0,0,0|1,0,0]=3 317 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,1,0,0,0|1,0,0]=3 318 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,1,0,0,0,0|0,1,1]=4 319 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,1,0,0,0,0|0,0,1]=3 320 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,1,0,0,0,0|1,0,1]=4 321 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [1,1,0,0,0,0|1,0,1]=4 322 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,1,0,0,0,0|1,0,1]=4 323 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,1,0,0,0,0|0,0,0]=2 324 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,1,0,0,0,0|0,0,0]=2 325 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,1,0,0,0,0|0,1,0]=3 334 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,1,0,0,0,0|0,1,0]=3 335 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,1,0,0,0,0|1,1,0]=4 336 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,1,0,0,0,0|1,1,0]=4 337 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,1,0,0,0,0|0,0,0]=2 338 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,1,0,0,0,0|0,0,0]=2 339 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,1,0,0,0,0|1,0,0]=3 340 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,1,0,0,0,0|1,0,0]=3 341 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,1,0,0,0,0|2,0,0]=4 346 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [1,1,0,0,0,0|1,1,0]=4 348 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [1,1,0,0,0,0|1,1,0]=4 349 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [1,1,0,0,0,0|1,0,0]=3 350 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [1,1,0,0,0,0|1,0,0]=3 351 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,1,0,0,0,0|1,0,0]=3 352 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,1,0,0,0,0|1,0,0]=3 353 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,1,0,0,0,0|0,0,0]=2 354 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,1,0,0,0,0|0,0,0]=2 355 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,1,0,0,0,0|2,0,0]=4 359 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,1,0,0,0,0|2,0,0]=4 360 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,1,0,0,0,0|2,0,0]=4 363 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,1,0,0,0,0|0,1,0]=3 364 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,1,0,0,0,0|0,1,0]=3 365 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,1,0,0,0,0|1,1,0]=4 366 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,1,0,0,0,0|1,1,0]=4 367 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,1,0,0,0,0|0,0,0]=2 368 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,1,0,0,0,0|0,0,0]=2 369 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,1,0,0,0,0|1,0,0]=3 370 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,1,0,0,0,0|1,0,0]=3 371 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,1,0,0,0,0|2,0,0]=4 376 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [1,1,0,0,0,0|1,1,0]=4 378 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [1,1,0,0,0,0|1,1,0]=4 379 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [1,1,0,0,0,0|1,0,0]=3 380 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,1,0,0,0,0|1,0,0]=3 383 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,1,0,0,0,0|1,0,0]=3 385 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,1,0,0,0,0|2,0,0]=4 386 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,1,0,0,0,0|1,0,0]=3 387 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,1,0,0,0,0|2,0,0]=4 388 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,1,0,0,0,0|2,0,0]=4 389 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|0,0,0]=2 390 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,1,0,0,0,0|1,0,0]=3 391 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,1,0,0,0,0|2,0,0]=4 392 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [1,1,0,0,0,0|2,0,0]=4 393 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [1,1,0,0,0,0|2,0,0]=4 394 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [1,1,0,0,0,0|2,0,0]=4 395 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [1,1,0,0,0,0|2,0,0]=4 396 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,1,0,0,0,1|1,0,1]=4 398 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,1,0,0,0,1|1,0,1]=4 399 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [0,1,0,0,0,1|1,0,1]=4 400 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [0,1,0,0,0,1|1,0,1]=4 401 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,0,0,1|1,0,0]=3 407 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.2 CNc1cncc(n1)Cl 27a_100102657272_100010892449 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 CNc1cncc(n1)F 27a_100102657272_200009863489 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,1,0,0,0,1|1,0,0]=3 428 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,1,0,0,0,1|1,0,0]=3 429 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [0,1,0,0,0,1|1,0,0]=3 443 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,1,0,0,0,1|1,0,0]=3 460 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,1,0,0,0,1|1,0,0]=3 461 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,1,0,0,0,1|1,0,0]=3 474 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,1,0,0,0,1|1,0,0]=3 475 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [0,1,0,0,0,1|1,0,0]=3 500 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [0,1,0,0,0,1|1,0,0]=3 501 B9R1.2 CSc1cncc(n1)Cl 62a_100010892449_200000210301 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.2 CSc1cncc(n1)Cl 62a_200000210301_100010892449 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 CSc1cncc(n1)F 62a_200000210301_200009863489 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.2 CSc1cncc(n1)F 62a_200009863489_200000210301 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.2 CSc1cncc(n1)N 62a_100000747728_200000210301 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.2 CSc1cncc(n1)N 62a_200000210301_100000747728 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,0,0,1|1,0,0]=3 516 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,0,0,1|1,0,0]=3 517 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,1,0,0,0,1|1,0,0]=3 518 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,1,0,0,0,1|1,0,0]=3 523 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [0,1,0,0,0,1|1,0,0]=3 528 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [0,1,0,0,0,1|1,0,0]=3 529 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [0,1,0,0,0,1|1,0,0]=3 532 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [0,1,0,0,0,1|1,0,0]=3 533 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_100010892449_200025704644 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_200025704644_100010892449 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200009863489_200025704644 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200025704644_200009863489 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_100000747728_200025704644 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_200025704644_100000747728 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.3 Cc1cccc(c1Cl)O 271570a_203496583355_200012352035 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.3 Cc1cccc(c1F)O 271570a_203496583355_100000717567 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.3 Cc1cccc(c1N)O 271570a_203496583355_100011834072 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [0,1,0,0,0,1|1,0,0]=3 610 B9R1.3 Cc1cccc(c1O)Cl 271570a_203496583355_100000043165 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.3 Cc1cccc(c1O)F 271570a_203496583355_100012349962 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.3 Cc1ccnc(c1O)C 271570a_203496583355_100012000501 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.3 Cc1cncc(c1C)O 271570a_203496583355_100009864703 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.3 Cc1cncc(c1N)O 271570a_203496583355_100009818025 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.3 Cc1cncc(c1O)C 271570a_203496583355_100009817138 [0,1,0,0,0,1|1,0,0]=3 619 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.34 Cc1cc(cc(c1)Cl)O 271570a_203496583355_100010172791 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.34 Cc1cc(cc(c1)F)O 271570a_203496583355_100011356977 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.34 Cc1cc(cc(c1)O)C 271570a_203496583355_100011215608 [0,1,0,0,0,1|1,0,0]=3 623 B9R1.34 Cc1cc(cc(c1)O)N 271570a_203496583355_100000695972 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.34 Cc1cc(cc(c1)O)O 271570a_203496583355_100011999630 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.34 Cc1cc(cc(n1)C)O 271570a_203496583355_100009816552 [0,1,0,0,0,1|1,0,0]=3 626 B9R1.34 Cc1cc(cc(n1)F)O 271570a_203496583355_100010006595 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.34 Cc1cc(cc(n1)N)O 271570a_203496583355_100000076705 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.34 Cc1cc(nc(c1)O)C 271570a_203496583355_100000069240 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.34 Cc1cc(nc(n1)C)O 271570a_203496583355_100000736142 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.69 Cc1c[nH]c(=O)c(n1)O 271570a_203496583355_100009858157 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.69 Cc1cc(cnc1Br)O 271570a_203496583355_100009816107 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.69 Cc1cc(cnc1C)O 271570a_203496583355_100000697892 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.69 Cc1cc(cnc1Cl)O 271570a_203496583355_100009922867 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.69 Cc1cc(cnc1F)O 271570a_203496583355_100000709442 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.69 Cc1cc(cnc1N)O 271570a_203496583355_100000186686 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.69 Cc1cc(cnc1O)Br 271570a_203496583355_100012353652 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.69 Cc1cc(cnc1O)F 271570a_203496583355_100009817009 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.69 Cc1cc(cnc1O)N 271570a_203496583355_100000761747 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100000685391 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100012000486 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [0,1,0,0,0,1|1,0,0]=3 654 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [0,1,0,0,0,1|1,0,0]=3 665 B9R1.69 Cc1ccc(c(n1)F)O 271570a_203496583355_100010006597 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.69 Cc1ccc(c(n1)N)O 271570a_203496583355_100009816662 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.69 Cc1ccc(c(n1)O)C 271570a_203496583355_100009854376 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.69 Cc1ccc(c(n1)O)F 271570a_203496583355_100009817602 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.69 Cc1ccc(c(n1)O)N 271570a_203496583355_100000685570 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [0,1,0,0,0,1|1,0,0]=3 675 B9R1.69 Cc1cnc(c(c1)F)O 271570a_203496583355_100009819633 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.69 Cc1cnc(c(c1)N)O 271570a_203496583355_100000733613 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.69 Cc1cnc(c(c1)O)C 271570a_203496583355_100009817436 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.69 Cc1cnc(c(c1)O)Cl 271570a_203496583355_100010210167 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.69 Cc1cnc(c(c1)O)F 271570a_203496583355_100000049784 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.69 Cc1cnc(c(c1)O)N 271570a_203496583355_100000049664 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.69 Cc1cnc(c(n1)C)O 271570a_203496583355_100000065684 [0,1,0,0,0,1|1,0,0]=3 684 B9R1.69 Cc1cnc(c(n1)O)C 271570a_203496583355_100000211308 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.69 Cc1cnc(c(n1)O)N 271570a_203496583355_100009819049 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.69 Cc1nc(c[nH]c1=O)O 271570a_203496583355_100010363809 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.69 Cc1nc(ccc1Br)O 271570a_203496583355_100012360386 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.69 Cc1nc(ccc1F)O 271570a_203496583355_100009814307 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.69 Cc1nc(ccc1N)O 271570a_203496583355_100000760127 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.69 Cc1nc(ccc1O)Cl 271570a_203496583355_100000062408 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.69 Cc1nc(ccc1O)F 271570a_203496583355_100000688911 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.69 Cc1nc(ccc1O)N 271570a_203496583355_100000013003 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.69 Cc1nc(cnc1N)O 271570a_203496583355_100009818571 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.69 Cc1nc(cnc1O)N 271570a_203496583355_100009818570 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.69 Cc1ncc(nc1C)O 271570a_203496583355_100009878948 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [0,1,0,0,0,1|1,0,1]=4 699 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [0,1,0,0,0,1|1,0,1]=4 700 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [0,1,0,0,0,1|1,0,1]=4 701 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [0,1,0,0,0,1|1,0,1]=4 702 B9R1.15 C=Cc1cncnc1C 271570a_100011290941_100009819671 [0,1,0,0,0,1|1,0,1]=4 703 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [0,1,0,0,0,1|1,0,1]=4 704 B9R1.15 C=Cc1ncncc1C 271570a_100011290941_100011998708 [0,1,0,0,0,1|1,0,1]=4 705 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [0,1,0,0,0,1|1,0,0]=3 713 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [0,1,0,0,0,1|1,0,0]=3 721 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [0,1,0,0,0,1|1,0,0]=3 727 B9R1.15 CNc1ncncc1F 27a_100102657272_100000069762 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.15 CNc1ncncc1N 27a_100102657272_100000709731 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.15 CNc1nnccc1C 27a_100102657272_100000089043 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [0,1,0,0,0,1|1,0,0]=3 734 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [0,1,0,0,0,1|1,0,0]=3 735 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [0,1,0,0,0,1|1,0,0]=3 747 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [0,1,0,0,0,1|1,0,0]=3 748 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [0,1,0,0,0,1|1,0,0]=3 761 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [0,1,0,0,0,1|1,0,0]=3 765 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [0,1,0,0,0,1|1,0,0]=3 766 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.15 COc1cncnc1N 7a_100000112926_200000210301 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [0,1,0,0,0,1|1,1,0]=4 773 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [0,1,0,0,0,1|1,0,0]=3 787 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [0,1,0,0,0,1|1,0,0]=3 788 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [0,1,0,0,0,1|2,0,0]=4 793 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [0,1,0,0,0,1|1,0,0]=3 800 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [0,1,0,0,0,1|1,0,0]=3 801 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [0,1,0,0,0,1|2,0,0]=4 804 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [0,1,0,0,0,1|2,0,0]=4 805 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [0,1,0,0,0,1|1,0,0]=3 812 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [0,1,0,0,0,1|1,0,0]=3 813 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [0,1,0,0,0,1|1,0,0]=3 824 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [0,1,0,0,0,1|1,0,0]=3 825 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.15 CSc1cncnc1Br 62a_200000210301_200012461658 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.15 CSc1cncnc1Br 62a_200012461658_200000210301 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.15 CSc1cncnc1C 62a_100009819671_200000210301 [0,1,0,0,0,1|1,0,0]=3 834 B9R1.15 CSc1cncnc1C 62a_200000210301_100009819671 [0,1,0,0,0,1|1,0,0]=3 835 B9R1.15 CSc1cncnc1Cl 62a_100000758962_200000210301 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.15 CSc1cncnc1Cl 62a_200000210301_100000758962 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.15 CSc1cncnc1N 62a_100011996079_200000210301 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.15 CSc1cncnc1N 62a_200000210301_100011996079 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.15 CSc1cncnc1O 62a_100000751107_200000210301 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.15 CSc1cncnc1O 62a_200000210301_100000751107 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.15 CSc1cnncc1N 62a_100009829405_200000210301 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.15 CSc1cnncc1N 62a_200000210301_100009829405 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [0,1,0,0,0,1|1,0,0]=3 846 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [0,1,0,0,0,1|1,0,0]=3 847 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.15 CSc1ncncc1C 62a_100011998708_200000210301 [0,1,0,0,0,1|1,0,0]=3 859 B9R1.15 CSc1ncncc1C 62a_200000210301_100011998708 [0,1,0,0,0,1|1,0,0]=3 860 B9R1.15 CSc1ncncc1F 62a_100000069762_200000210301 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.15 CSc1ncncc1F 62a_200000210301_100000069762 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.15 CSc1ncncc1N 62a_100000709731_200000210301 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.15 CSc1ncncc1N 62a_200000210301_100000709731 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.15 CSc1nnccc1C 62a_200000210301_100000089043 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [0,1,0,0,0,1|1,0,0]=3 867 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [0,1,0,0,0,1|1,0,0]=3 868 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [0,1,0,0,0,1|1,0,0]=3 869 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [0,1,0,0,0,1|1,0,0]=3 870 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [0,1,0,0,0,1|1,0,0]=3 871 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [0,1,0,0,0,1|1,0,0]=3 872 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [0,1,0,0,0,1|1,0,0]=3 873 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [0,1,0,0,0,1|1,0,0]=3 874 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [0,1,0,0,0,1|1,0,0]=3 875 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [0,1,0,0,0,1|1,0,0]=3 876 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [0,1,0,0,0,1|1,0,0]=3 877 B9R1.15 Cc1ccnnc1S[13CH3] 62a_200025704644_100000089043 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [0,1,0,0,0,1|1,0,0]=3 879 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [0,1,0,0,0,1|1,0,0]=3 880 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [0,1,0,0,0,1|1,0,0]=3 881 B9R1.15 Cc1cncnc1S[13CH3] 62a_100011998708_200025704644 [0,1,0,0,0,1|1,0,0]=3 882 B9R1.15 Cc1cncnc1S[13CH3] 62a_200025704644_100011998708 [0,1,0,0,0,1|1,0,0]=3 883 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [0,1,0,0,0,1|1,0,0]=3 884 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [0,1,0,0,0,1|1,0,0]=3 885 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [0,1,0,0,0,1|1,0,0]=3 886 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [0,1,0,0,0,1|1,0,0]=3 887 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.15 Cc1ncncc1S[13CH3] 62a_100009819671_200025704644 [0,1,0,0,0,1|1,0,0]=3 891 B9R1.15 Cc1ncncc1S[13CH3] 62a_200025704644_100009819671 [0,1,0,0,0,1|1,0,0]=3 892 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [0,1,0,0,0,1|2,0,0]=4 906 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 927 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [0,1,0,0,0,1|2,0,0]=4 929 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.15 [13CH3]Oc1cncnc1N 7a_100000112926_200025704644 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [0,1,0,0,0,1|1,1,0]=4 936 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [0,1,0,0,0,1|2,0,0]=4 943 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [0,1,0,0,0,1|2,0,0]=4 967 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [0,1,0,0,0,1|2,0,0]=4 968 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [0,1,0,0,0,1|2,0,0]=4 970 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [0,1,0,0,0,1|2,0,0]=4 972 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.15 [13CH3]Sc1cncnc1Br 62a_200012461658_200025704644 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.15 [13CH3]Sc1cncnc1Br 62a_200025704644_200012461658 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.15 [13CH3]Sc1cncnc1Cl 62a_100000758962_200025704644 [0,1,0,0,0,1|2,0,0]=4 984 B9R1.15 [13CH3]Sc1cncnc1Cl 62a_200025704644_100000758962 [0,1,0,0,0,1|2,0,0]=4 985 B9R1.15 [13CH3]Sc1cncnc1N 62a_100011996079_200025704644 [0,1,0,0,0,1|2,0,0]=4 986 B9R1.15 [13CH3]Sc1cncnc1N 62a_200025704644_100011996079 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.15 [13CH3]Sc1cncnc1O 62a_100000751107_200025704644 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.15 [13CH3]Sc1cncnc1O 62a_200025704644_100000751107 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.15 [13CH3]Sc1cnncc1N 62a_100009829405_200025704644 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.15 [13CH3]Sc1cnncc1N 62a_200025704644_100009829405 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.15 [13CH3]Sc1ncncc1F 62a_100000069762_200025704644 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.15 [13CH3]Sc1ncncc1F 62a_200025704644_100000069762 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.15 [13CH3]Sc1ncncc1N 62a_100000709731_200025704644 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.15 [13CH3]Sc1ncncc1N 62a_200025704644_100000709731 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.14 C=Cc1cscc1C#N 271570a_100011290941_100011934119 [0,2,0,0,0,0|0,0,2]=4 1006 B9R1.14 C=Cc1cscc1C=O 271570a_100011290941_100000685484 [0,2,0,0,0,0|0,0,2]=4 1007 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [0,2,0,0,0,0|0,0,1]=3 1008 B9R1.14 C=Cc1cscc1CO 271570a_100011290941_100000724555 [0,2,0,0,0,0|0,0,1]=3 1009 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,2,0,0,0,0|2,0,0]=4 1010 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,2,0,0,0,0|2,0,0]=4 1011 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,2,0,0,0,0|2,0,0]=4 1013 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [0,2,0,0,0,0|0,0,0]=2 1014 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [0,2,0,0,0,0|0,0,0]=2 1015 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [0,2,0,0,0,0|0,0,0]=2 1016 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [0,2,0,0,0,0|0,0,0]=2 1017 B9R1.14 COc1[nH]ncc1SC 62a_100010349828_200000210301 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.14 COc1[nH]ncc1S[13CH3] 62a_100010349828_200025704644 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [0,2,0,0,0,0|2,0,0]=4 1020 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [0,2,0,0,0,0|2,0,0]=4 1023 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [0,2,0,0,0,0|2,0,0]=4 1024 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [0,2,0,0,0,0|2,0,0]=4 1025 B9R1.14 CSc1cscc1C#N 62a_200000210301_100011934119 [0,2,0,0,0,0|0,0,1]=3 1026 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [0,2,0,0,0,0|0,0,1]=3 1027 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [0,2,0,0,0,0|0,0,1]=3 1028 B9R1.14 CSc1cscc1CO 62a_100000724555_200000210301 [0,2,0,0,0,0|0,0,0]=2 1029 B9R1.14 CSc1cscc1CO 62a_200000210301_100000724555 [0,2,0,0,0,0|0,0,0]=2 1030 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [0,2,0,0,0,0|2,0,0]=4 1031 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [0,2,0,0,0,0|2,0,0]=4 1032 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1033 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [0,2,0,0,0,0|2,0,0]=4 1034 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [0,2,0,0,0,0|2,0,0]=4 1035 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [0,2,0,0,0,0|2,0,0]=4 1036 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [0,2,0,0,0,0|2,0,0]=4 1037 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [0,2,0,0,0,0|2,0,0]=4 1038 B9R1.14 [13CH3]Sc1cscc1C#N 62a_200025704644_100011934119 [0,2,0,0,0,0|0,0,1]=3 1039 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [0,2,0,0,0,0|0,0,1]=3 1040 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [0,2,0,0,0,0|0,0,1]=3 1041 B9R1.14 [13CH3]Sc1cscc1CO 62a_100000724555_200025704644 [0,2,0,0,0,0|0,0,0]=2 1042 B9R1.14 [13CH3]Sc1cscc1CO 62a_200025704644_100000724555 [0,2,0,0,0,0|0,0,0]=2 1043 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [0,2,0,0,0,0|2,0,0]=4 1044 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [0,2,0,0,0,0|2,0,0]=4 1045 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1046 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [0,2,0,0,0,0|2,0,0]=4 1047 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,2,0,0,0,0|2,0,0]=4 1048 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,2,0,0,0,0|2,0,0]=4 1049 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [0,2,0,0,0,0|2,0,0]=4 1050 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [0,2,0,0,0,0|2,0,0]=4 1051 B9R1.22 CSc1nn(cc1C)C 62a_100011072604_200000210301 [0,2,0,0,0,0|2,0,0]=4 1052 B9R1.22 CSc1nn(cc1C)C 62a_200000210301_100011072604 [0,2,0,0,0,0|2,0,0]=4 1053 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,2,0,0,0,0|2,0,0]=4 1054 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,2,0,0,0,0|2,0,0]=4 1055 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,2,0,0,0,0|2,0,0]=4 1056 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,2,0,0,0,0|2,0,0]=4 1057 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,2,0,0,0,0|2,0,0]=4 1058 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,2,0,0,0,0|2,0,0]=4 1059 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_100011072604_200025704644 [0,2,0,0,0,0|2,0,0]=4 1060 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_200025704644_100011072604 [0,2,0,0,0,0|2,0,0]=4 1061 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1062 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [0,2,0,0,0,0|2,0,0]=4 1063 B9R1.27 C=Cc1c(nsc1N)C 271570a_100011290941_100000701153 [0,2,0,0,0,0|1,0,1]=4 1064 B9R1.27 COc1c(n[nH]c1C)C 34a_100012186652_200000210301 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.27 CSc1c(n[nH]c1C)C 62a_100000238710_200000210301 [0,2,0,0,0,0|2,0,0]=4 1066 B9R1.27 CSc1c(n[nH]c1C)C 62a_200000210301_100000238710 [0,2,0,0,0,0|2,0,0]=4 1067 B9R1.27 CSc1c(n[nH]c1N)C 62a_100000182022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1068 B9R1.27 CSc1c(n[nH]c1N)C 62a_200000210301_100000182022 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.27 CSc1c(noc1C)C 62a_100000694658_200000210301 [0,2,0,0,0,0|1,1,0]=4 1070 B9R1.27 CSc1c(noc1C)C 62a_200000210301_100000694658 [0,2,0,0,0,0|1,1,0]=4 1071 B9R1.27 CSc1c(noc1C)N 62a_100011216220_200000210301 [0,2,0,0,0,0|2,0,0]=4 1072 B9R1.27 CSc1c(noc1C)N 62a_200000210301_100011216220 [0,2,0,0,0,0|2,0,0]=4 1073 B9R1.27 CSc1c(noc1C)O 62a_100010730664_200000210301 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.27 CSc1c(noc1C)O 62a_200000210301_100010730664 [0,2,0,0,0,0|2,0,0]=4 1075 B9R1.27 CSc1c(noc1N)C 62a_100000754107_200000210301 [0,2,0,0,0,0|1,1,0]=4 1076 B9R1.27 CSc1c(noc1N)C 62a_200000210301_100000754107 [0,2,0,0,0,0|1,1,0]=4 1077 B9R1.27 CSc1c(nsc1N)C 62a_100000701153_200000210301 [0,2,0,0,0,0|1,0,0]=3 1078 B9R1.27 CSc1c(nsc1N)C 62a_200000210301_100000701153 [0,2,0,0,0,0|1,0,0]=3 1079 B9R1.27 Cc1n[nH]c(c1O[13CH3])C 34a_100012186652_200025704644 [0,2,0,0,0,0|2,0,0]=4 1080 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_100000238710_200025704644 [0,2,0,0,0,0|2,0,0]=4 1081 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_200025704644_100000238710 [0,2,0,0,0,0|2,0,0]=4 1082 B9R1.27 Cc1n[nH]c(c1S[13CH3])N 62a_100000182022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1083 B9R1.27 Cc1n[nH]c(c1S[13CH3])N 62a_200025704644_100000182022 [0,2,0,0,0,0|2,0,0]=4 1084 B9R1.27 Cc1noc(c1S[13CH3])C 62a_100000694658_200025704644 [0,2,0,0,0,0|1,1,0]=4 1085 B9R1.27 Cc1noc(c1S[13CH3])C 62a_200025704644_100000694658 [0,2,0,0,0,0|1,1,0]=4 1086 B9R1.27 Cc1noc(c1S[13CH3])N 62a_100000754107_200025704644 [0,2,0,0,0,0|1,1,0]=4 1087 B9R1.27 Cc1noc(c1S[13CH3])N 62a_200025704644_100000754107 [0,2,0,0,0,0|1,1,0]=4 1088 B9R1.27 Cc1nsc(c1S[13CH3])N 62a_100000701153_200025704644 [0,2,0,0,0,0|1,0,0]=3 1089 B9R1.27 Cc1nsc(c1S[13CH3])N 62a_200025704644_100000701153 [0,2,0,0,0,0|1,0,0]=3 1090 B9R1.27 Cc1onc(c1S[13CH3])N 62a_100011216220_200025704644 [0,2,0,0,0,0|2,0,0]=4 1091 B9R1.27 Cc1onc(c1S[13CH3])N 62a_200025704644_100011216220 [0,2,0,0,0,0|2,0,0]=4 1092 B9R1.27 Cc1onc(c1S[13CH3])O 62a_100010730664_200025704644 [0,2,0,0,0,0|2,0,0]=4 1093 B9R1.27 Cc1onc(c1S[13CH3])O 62a_200025704644_100010730664 [0,2,0,0,0,0|2,0,0]=4 1094 B9R1.33 C=C=Cc1cscc1Br 271570a_100015277604_100010143727 [0,2,0,0,0,0|1,0,1]=4 1095 B9R1.33 C=C=Cc1cscc1C 271570a_100015277604_100000759966 [0,2,0,0,0,0|0,0,1]=3 1096 B9R1.33 CC=Cc1c[nH]nc1C 271570a_100016259895_100011912673 [0,2,0,0,0,0|2,0,0]=4 1097 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [0,2,0,0,0,0|2,0,0]=4 1098 B9R1.33 CC=Cc1cncn1C 271570a_100016259895_100009814087 [0,2,0,0,0,0|2,0,0]=4 1099 B9R1.33 CC=Cc1cnoc1C 271570a_100016259895_100009872056 [0,2,0,0,0,0|2,0,0]=4 1100 B9R1.33 CC=Cc1cscc1Br 271570a_100016259895_100010143727 [0,2,0,0,0,0|1,0,0]=3 1101 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [0,2,0,0,0,0|0,0,0]=2 1102 B9R1.33 CC=Cc1n[nH]cc1C 271570a_100016259895_100009871783 [0,2,0,0,0,0|2,0,0]=4 1103 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,2,0,0,0,0|2,0,0]=4 1104 B9R1.33 CCSc1c[nH]nc1C 62a_100000210202_100000692133 [0,2,0,0,0,0|2,0,0]=4 1105 B9R1.33 CCSc1c[nH]nc1C 62a_100000692133_100000210202 [0,2,0,0,0,0|2,0,0]=4 1106 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [0,2,0,0,0,0|2,0,0]=4 1107 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [0,2,0,0,0,0|2,0,0]=4 1108 B9R1.33 CCSc1cncn1C 62a_100000210202_100009814087 [0,2,0,0,0,0|2,0,0]=4 1109 B9R1.33 CCSc1cncn1C 62a_100009814087_100000210202 [0,2,0,0,0,0|2,0,0]=4 1110 B9R1.33 CCSc1cnoc1C 62a_100000210202_100009872056 [0,2,0,0,0,0|2,0,0]=4 1111 B9R1.33 CCSc1cnoc1C 62a_100009872056_100000210202 [0,2,0,0,0,0|2,0,0]=4 1112 B9R1.33 CCSc1cscc1Br 62a_100000210202_100010143727 [0,2,0,0,0,0|1,0,0]=3 1113 B9R1.33 CCSc1cscc1Br 62a_100010143727_100000210202 [0,2,0,0,0,0|1,0,0]=3 1114 B9R1.33 CCSc1cscc1C 62a_100000210202_100000759966 [0,2,0,0,0,0|0,0,0]=2 1115 B9R1.33 CCSc1cscc1C 62a_100000759966_100000210202 [0,2,0,0,0,0|0,0,0]=2 1116 B9R1.33 CCSc1n[nH]cc1C 62a_100000210202_100009871783 [0,2,0,0,0,0|2,0,0]=4 1117 B9R1.33 CCSc1n[nH]cc1C 62a_100009871783_100000210202 [0,2,0,0,0,0|2,0,0]=4 1118 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,2,0,0,0,0|2,0,0]=4 1119 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,2,0,0,0,0|2,0,0]=4 1120 B9R1.33 CNCc1[nH]ncc1C 207a_100102657272_100000708485 [0,2,0,0,0,0|2,0,0]=4 1121 B9R1.33 CNCc1[nH]ncc1C 270004a_106832991635_100000708485 [0,2,0,0,0,0|2,0,0]=4 1122 B9R1.33 CNCc1c[nH]nc1C 207a_100102657272_100000737037 [0,2,0,0,0,0|2,0,0]=4 1123 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,2,0,0,0,0|2,0,0]=4 1124 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,2,0,0,0,0|2,0,0]=4 1125 B9R1.33 CNCc1cncn1C 207a_100102657272_100000750899 [0,2,0,0,0,0|2,0,0]=4 1126 B9R1.33 CNCc1cncn1C 270004a_106832991635_100000750899 [0,2,0,0,0,0|2,0,0]=4 1127 B9R1.33 CNCc1cscc1Br 207a_100102657272_100000685484 [0,2,0,0,0,0|1,0,0]=3 1128 B9R1.33 CNCc1cscc1Br 270004a_106832991635_100000685484 [0,2,0,0,0,0|1,0,0]=3 1129 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [0,2,0,0,0,0|1,0,0]=3 1130 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,2,0,0,0,0|2,0,0]=4 1131 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,2,0,0,0,0|2,0,0]=4 1132 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,2,0,0,0,0|2,0,0]=4 1133 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,2,0,0,0,0|2,0,0]=4 1134 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,2,0,0,0,0|2,0,0]=4 1135 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,2,0,0,0,0|2,0,0]=4 1136 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1137 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1138 B9R1.33 COCc1cscc1Br 34a_100000724555_200000210301 [0,2,0,0,0,0|1,0,0]=3 1139 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,2,0,0,0,0|2,0,0]=4 1140 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,2,0,0,0,0|2,0,0]=4 1141 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [0,2,0,0,0,0|2,0,0]=4 1142 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,2,0,0,0,0|2,0,0]=4 1143 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,2,0,0,0,0|2,0,0]=4 1144 B9R1.33 Cc1c[nH]nc1SCF 62a_100009871783_100015361967 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.33 Cc1c[nH]nc1SCF 62a_100015361967_100009871783 [0,2,0,0,0,0|2,0,0]=4 1146 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,2,0,0,0,0|2,0,0]=4 1147 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,2,0,0,0,0|2,0,0]=4 1148 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,2,0,0,0,0|2,0,0]=4 1149 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,2,0,0,0,0|2,0,0]=4 1150 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,2,0,0,0,0|2,0,0]=4 1151 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,2,0,0,0,0|2,0,0]=4 1152 B9R1.33 Cc1ccsc1SCF 62a_100010247149_100015361967 [0,2,0,0,0,0|2,0,0]=4 1153 B9R1.33 Cc1ccsc1SCF 62a_100015361967_100010247149 [0,2,0,0,0,0|2,0,0]=4 1154 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [0,2,0,0,0,0|2,0,0]=4 1155 B9R1.33 Cc1cscc1SCF 62a_100000759966_100015361967 [0,2,0,0,0,0|0,0,0]=2 1156 B9R1.33 Cc1cscc1SCF 62a_100015361967_100000759966 [0,2,0,0,0,0|0,0,0]=2 1157 B9R1.33 Cc1n[nH]cc1SCF 62a_100000692133_100015361967 [0,2,0,0,0,0|2,0,0]=4 1158 B9R1.33 Cc1n[nH]cc1SCF 62a_100015361967_100000692133 [0,2,0,0,0,0|2,0,0]=4 1159 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1160 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1161 B9R1.33 Cc1oncc1SCF 62a_100009872056_100015361967 [0,2,0,0,0,0|2,0,0]=4 1162 B9R1.33 Cc1oncc1SCF 62a_100015361967_100009872056 [0,2,0,0,0,0|2,0,0]=4 1163 B9R1.33 Cc1sccc1SCF 62a_100000684487_100015361967 [0,2,0,0,0,0|2,0,0]=4 1164 B9R1.33 Cc1sccc1SCF 62a_100015361967_100000684487 [0,2,0,0,0,0|2,0,0]=4 1165 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,2,0,0,0,0|2,0,0]=4 1166 B9R1.33 Cn1cncc1SCF 62a_100009814087_100015361967 [0,2,0,0,0,0|2,0,0]=4 1167 B9R1.33 Cn1cncc1SCF 62a_100015361967_100009814087 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.33 FCSc1cscc1Br 62a_100010143727_100015361967 [0,2,0,0,0,0|1,0,0]=3 1169 B9R1.33 FCSc1cscc1Br 62a_100015361967_100010143727 [0,2,0,0,0,0|1,0,0]=3 1170 B9R1.33 [13CH3]OCc1cscc1Br 34a_100000724555_200025704644 [0,2,0,0,0,0|1,0,0]=3 1171 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,2,0,0,0,0|2,0,0]=4 1172 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,2,0,0,0,0|2,0,0]=4 1173 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [0,2,0,0,0,0|2,0,0]=4 1174 B9R1.41 C=C(C)c1cnoc1C 271570a_100000694244_100009872056 [0,2,0,0,0,0|2,0,0]=4 1175 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,2,0,0,0,0|0,0,0]=2 1177 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,2,0,0,0,0|2,0,0]=4 1178 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,2,0,0,0,0|2,0,0]=4 1179 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,2,0,0,0,0|1,0,1]=4 1180 B9R1.132 C=Cc1csc(c1C)C 271570a_100011290941_100009820295 [0,2,0,0,0,0|0,0,1]=3 1181 B9R1.132 C=Cc1n[nH]c(c1C)C 271570a_100011290941_100015309786 [0,2,0,0,0,0|2,0,0]=4 1182 B9R1.132 C=Cc1ncc(n1C)C 271570a_100011290941_100009816807 [0,2,0,0,0,0|2,0,0]=4 1183 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [0,2,0,0,0,0|2,0,0]=4 1184 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.132 CSc1cnn(c1C)C 62a_100012354625_200000210301 [0,2,0,0,0,0|2,0,0]=4 1186 B9R1.132 CSc1cnn(c1C)C 62a_200000210301_100012354625 [0,2,0,0,0,0|2,0,0]=4 1187 B9R1.132 CSc1csc(c1C)C 62a_100009820295_200000210301 [0,2,0,0,0,0|0,0,0]=2 1188 B9R1.132 CSc1csc(c1C)C 62a_200000210301_100009820295 [0,2,0,0,0,0|0,0,0]=2 1189 B9R1.132 CSc1n[nH]c(c1C)C 62a_100015309786_200000210301 [0,2,0,0,0,0|2,0,0]=4 1190 B9R1.132 CSc1n[nH]c(c1C)C 62a_200000210301_100015309786 [0,2,0,0,0,0|2,0,0]=4 1191 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [0,2,0,0,0,0|2,0,0]=4 1192 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [0,2,0,0,0,0|2,0,0]=4 1193 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_100015309786_200025704644 [0,2,0,0,0,0|2,0,0]=4 1194 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_200025704644_100015309786 [0,2,0,0,0,0|2,0,0]=4 1195 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_100012354625_200025704644 [0,2,0,0,0,0|2,0,0]=4 1196 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_200025704644_100012354625 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [0,2,0,0,0,0|2,0,0]=4 1198 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [0,2,0,0,0,0|2,0,0]=4 1199 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [0,2,0,0,0,0|2,0,0]=4 1201 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_100009820295_200025704644 [0,2,0,0,0,0|0,0,0]=2 1202 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_200025704644_100009820295 [0,2,0,0,0,0|0,0,0]=2 1203 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,2,0,0,0,0|2,0,0]=4 1204 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,2,0,0,0,0|2,0,0]=4 1205 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,2,0,0,0,0|2,0,0]=4 1206 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,2,0,0,0,0|2,0,0]=4 1207 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,2,0,0,0,0|2,0,0]=4