0 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,0,0,0,0,0|3,1,0]=4 13 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|2,0,0]=3 27 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|2,1,0]=4 29 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|2,0,0]=3 30 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|2,1,0]=4 31 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|1,1,0]=3 35 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|1,0,0]=2 36 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|1,0,0]=2 39 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.11 C=Cc1[nH]cnc1Cl 271570a_100011290941_100010200774 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,1,0,0,0,0|1,0,1]=3 49 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.11 C=Cc1nc[nH]c1C 271570a_100011290941_100009816806 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.11 C=Cc1ncnn1C 271570a_100011290941_100000732653 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [0,1,0,0,0,0|0,0,1]=2 54 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,1,0,0,0,0|1,0,1]=3 56 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [0,1,0,0,0,0|0,0,1]=2 57 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.11 CSc1c[nH]nc1Br 62a_100011012988_200000210301 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.11 CSc1c[nH]nc1Br 62a_200000210301_100011012988 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.11 CSc1c[nH]nc1F 62a_100015597042_200000210301 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.11 CSc1c[nH]nc1F 62a_200000210301_100015597042 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.11 CSc1c[nH]nc1N 62a_100000717100_200000210301 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.11 CSc1c[nH]nc1N 62a_200000210301_100000717100 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,1,0,0,0,0|2,1,0]=4 79 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,1,0,0,0,0|2,1,0]=4 80 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,1,0,0,0,0|0,0,0]=1 97 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,1,0,0,0,0|0,0,0]=1 98 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,1,0,0,0,0|0,0,0]=1 104 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,1,0,0,0,0|0,0,0]=1 105 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,1,0,0,0,0|0,0,0]=1 116 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,1,0,0,0,0|0,0,0]=1 117 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,1,0,0,0,0|2,1,0]=4 118 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,1,0,0,0,0|2,1,0]=4 119 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,1,0,0,0,0|0,0,0]=1 122 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,1,0,0,0,0|0,0,0]=1 123 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.11 N#Cc1ccsc1O 271570a_203496583355_100009817073 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_100011012988_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_200025704644_100011012988 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_100015597042_200025704644 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_200025704644_100015597042 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_100000717100_200025704644 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_200025704644_100000717100 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,1,0,0,0,0|0,0,0]=1 165 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.18 Cn1nc(cc1O)N 271570a_203496583355_100116209741 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.18 Oc1cc(sc1Cl)Cl 271570a_203496583355_100010244177 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,1,0,0,0,0|2,0,1]=4 174 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.50 Cc1nnn(c1O)C 271570a_203496583355_100016037793 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,1,0,0,0|1,1,1]=4 186 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,1,0,0,0|1,1,1]=4 187 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,0,0|1,1,1]=4 188 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,0,0|1,1,1]=4 189 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,1,0,0,0|1,0,2]=4 192 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,1,0,0,0|1,0,2]=4 193 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,1,0,0,0|1,0,2]=4 195 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,1,0,0,0|1,0,2]=4 197 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,1,0,0,0|1,0,2]=4 198 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,1,0,0,0|1,0,2]=4 199 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,1,0,0,0|2,0,1]=4 200 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,0,0,1|2,0,0]=3 201 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,0,0,0,0,1|2,0,0]=3 202 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,0,0,0,0,1|2,0,0]=3 205 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,0,0,0,0,1|2,0,0]=3 206 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,0,0,0,0,1|3,0,0]=4 209 B8R1.4 Nc1cc(ncn1)O 271570a_203496583355_100000701291 [0,0,0,0,0,1|3,0,0]=4 210 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,0,0,0,0,1|3,0,0]=4 211 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,0,0,0,0,1|3,0,0]=4 213 B8R1.4 Nc1ncnc(n1)O 271570a_203496583355_100000123831 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,0,0,0,0,1|3,0,0]=4 215 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.4 Oc1cc(ncn1)F 271570a_203496583355_200009880791 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,0,0,0,0,1|2,0,0]=3 226 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [0,0,0,0,0,1|2,0,0]=3 227 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,0,0,0,0,1|2,0,0]=3 228 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [0,0,0,0,0,1|2,0,0]=3 229 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,0,0,0,1|2,0,0]=3 230 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,0,0,0,0,1|2,0,0]=3 231 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.5 Nc1ncncc1O 271570a_203496583355_100011996079 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.5 Oc1cncnc1Br 271570a_203496583355_200012461658 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.5 Oc1cncnc1Cl 271570a_203496583355_100000758962 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.5 Oc1nccnc1F 271570a_203496583355_200010125657 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.5 Oc1ncncc1F 271570a_203496583355_100000069762 [0,0,0,0,0,1|3,0,0]=4 260 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|2,0,0]=4 261 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|2,0,0]=4 262 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,1,0,0,0|2,0,0]=4 263 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,1,0,0,0|2,0,0]=4 264 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,1,0,0,0|2,0,0]=4 265 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,1,0,0,0|1,0,1]=4 267 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,1,0,0,0|1,0,1]=4 268 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,1,0,0,0|1,0,1]=4 269 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|2,0,0]=4 270 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|2,0,0]=4 271 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|2,0,0]=4 272 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,1,0,0,0|2,0,0]=4 273 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,1,0,0,0|1,0,1]=4 274 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,1,0,0,0|1,0,1]=4 275 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,1,0,0,0|1,0,1]=4 276 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,1,0,0,0|1,0,1]=4 277 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,1,0,0,0|1,0,1]=4 278 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,1,0,0,0|0,1,0]=3 279 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,1,0,0,0|0,1,0]=3 280 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,1,0,0,0|2,0,0]=4 284 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,1,0,0,0,0|1,0,1]=4 285 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,1,0,0,0,0|1,0,1]=4 286 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,1,0,0,0,0|1,0,1]=4 287 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,1,0,0,0,0|0,1,1]=4 288 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,1,0,0,0,0|0,0,1]=3 289 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,1,0,0,0,0|0,0,1]=3 290 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [1,1,0,0,0,0|1,0,1]=4 291 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [1,1,0,0,0,0|1,0,0]=3 293 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,1,0,0,0,0|1,0,0]=3 294 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,1,0,0,0,0|1,0,0]=3 295 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,1,0,0,0,0|1,0,0]=3 296 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,1,0,0,0,0|1,0,0]=3 297 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [1,1,0,0,0,0|2,0,0]=4 298 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [1,1,0,0,0,0|2,0,0]=4 299 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,1,0,0,0,0|2,0,0]=4 301 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,1,0,0,0,0|1,1,0]=4 302 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,1,0,0,0,0|1,1,0]=4 303 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,1,0,0,0,0|1,0,0]=3 304 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,1,0,0,0,0|1,0,0]=3 305 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,1,0,0,0,0|1,1,0]=4 306 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,1,0,0,0,0|1,1,0]=4 307 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,1,0,0,0,0|2,0,0]=4 308 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,1,0,0,0,0|1,0,0]=3 310 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,1,0,0,0,0|1,0,0]=3 311 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,1,0,0,0,0|0,1,0]=3 316 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,1,0,0,0,0|0,1,0]=3 317 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,1,0,0,0,0|0,0,0]=2 318 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,1,0,0,0,0|0,0,0]=2 319 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,1,0,0,0,0|0,0,0]=2 324 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,1,0,0,0,0|0,0,0]=2 325 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,1,0,0,0,0|1,0,0]=3 337 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,1,0,0,0,0|1,0,0]=3 338 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,1,0,0,0,0|1,0,0]=3 339 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,1,0,0,0,0|1,0,0]=3 340 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,1,0,0,0,0|1,0,0]=3 341 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,1,0,0,0,0|1,1,0]=4 346 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,1,0,0,0,0|1,1,0]=4 347 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,1,0,0,0,0|1,0,0]=3 348 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,1,0,0,0,0|1,0,0]=3 349 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,1,0,0,0,0|1,1,0]=4 350 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,1,0,0,0,0|1,1,0]=4 351 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,1,0,0,0,0|1,0,0]=3 354 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,1,0,0,0,0|1,0,0]=3 355 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,1,0,0,0,0|2,0,0]=4 359 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,1,0,0,0,0|0,1,0]=3 360 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,1,0,0,0,0|0,1,0]=3 361 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,1,0,0,0,0|0,0,0]=2 362 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,1,0,0,0,0|0,0,0]=2 363 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [1,1,0,0,0,0|2,0,0]=4 364 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,1,0,0,0,0|0,0,0]=2 368 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,1,0,0,0,0|0,0,0]=2 369 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [1,1,0,0,0,0|2,0,0]=4 370 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [1,1,0,0,0,0|2,0,0]=4 371 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,1,0,0,0,0|2,0,0]=4 376 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,1,0,0,0,0|1,0,0]=3 380 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,1,0,0,0,0|1,0,0]=3 383 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,1,0,0,0,0|2,0,0]=4 385 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,1,0,0,0,0|1,0,0]=3 386 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [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|0,0,0]=2 389 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|1,0,0]=3 390 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,1,0,0,0,0|0,0,0]=2 391 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,1,0,0,0,0|2,0,0]=4 392 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,1,0,0,0,0|1,0,0]=3 393 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [1,1,0,0,0,0|2,0,0]=4 394 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [1,1,0,0,0,0|2,0,0]=4 395 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,1,0,0,0,0|1,0,0]=3 396 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [1,1,0,0,0,0|1,1,0]=4 397 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [1,1,0,0,0,0|1,0,0]=3 398 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [1,1,0,0,0,0|1,1,0]=4 399 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [1,1,0,0,0,0|1,1,0]=4 400 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [1,1,0,0,0,0|1,0,0]=3 401 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,1,0,0,0,0|2,0,0]=4 402 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,1,0,0,0,0|2,0,0]=4 403 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [1,1,0,0,0,0|2,0,0]=4 404 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [1,1,0,0,0,0|2,0,0]=4 405 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [1,1,0,0,0,0|1,0,0]=3 406 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [1,1,0,0,0,0|1,0,0]=3 407 B7R1.2 Nc1nnc(s1)O 271570a_203496583355_100000738278 [1,1,0,0,0,0|2,0,0]=4 408 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,1,0,0,0,0|2,0,0]=4 409 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [0,1,0,0,0,1|1,0,1]=4 411 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [0,1,0,0,0,1|1,0,1]=4 412 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [0,1,0,0,0,1|1,0,1]=4 413 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [0,1,0,0,0,1|1,0,1]=4 414 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [0,1,0,0,0,1|1,0,1]=4 415 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [0,1,0,0,0,1|1,0,0]=3 423 B9R1.2 CNc1cc(ncn1)F 27a_100102657272_200009880791 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 CNc1cc(ncn1)N 27a_100102657272_100000701291 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 CNc1cc(ncn1)O 271570a_203496583355_100000756605 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 CNc1cc(ncn1)O 27a_100102657272_100000765262 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.2 CNc1ccnc(c1)F 27a_100102657272_100009816116 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,1,0,0,0,1|1,0,0]=3 433 B9R1.2 CNc1ccnc(n1)N 27a_100102657272_100000055538 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 CNc1ccnc(n1)O 271570a_203496583355_100011649947 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.2 CNc1nccc(n1)N 27a_100102657272_100000757536 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 CNc1nccc(n1)O 271570a_203496583355_100012000420 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 CNc1nccc(n1)O 27a_100102657272_100011649813 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 CNc1ncnc(n1)N 27a_100102657272_100000123831 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.2 COc1ncnc(n1)O 271570a_203496583355_200010750123 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,1,0,0,0,1|1,0,0]=3 455 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,1,0,0,0,1|1,0,0]=3 456 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.2 CSc1cc(ncn1)C 62a_100000744208_200000210301 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.2 CSc1cc(ncn1)C 62a_200000210301_100000744208 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.2 CSc1cc(ncn1)Cl 62a_100010161198_200000210301 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 CSc1cc(ncn1)Cl 62a_200000210301_100010161198 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 CSc1cc(ncn1)F 62a_200000210301_200009880791 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 CSc1cc(ncn1)F 62a_200009880791_200000210301 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.2 CSc1cc(ncn1)N 62a_100000701291_200000210301 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.2 CSc1cc(ncn1)N 62a_200000210301_100000701291 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 CSc1cc(ncn1)O 271570a_203496583355_100011443430 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.2 CSc1cc(ncn1)O 62a_200000210301_100000765262 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.2 CSc1ccnc(c1)Br 62a_100009814637_200000210301 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.2 CSc1ccnc(c1)Br 62a_200000210301_100009814637 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [0,1,0,0,0,1|1,0,0]=3 483 B9R1.2 CSc1ccnc(c1)Cl 62a_100000035001_200000210301 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.2 CSc1ccnc(c1)Cl 62a_200000210301_100000035001 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.2 CSc1ccnc(c1)F 62a_100009816116_200000210301 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.2 CSc1ccnc(c1)F 62a_200000210301_100009816116 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.2 CSc1ccnc(n1)Cl 62a_100010154678_200000210301 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.2 CSc1ccnc(n1)Cl 62a_200000210301_100010154678 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.2 CSc1ccnc(n1)N 62a_100000055538_200000210301 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.2 CSc1ccnc(n1)N 62a_200000210301_100000055538 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [0,1,0,0,0,1|1,0,0]=3 498 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [0,1,0,0,0,1|1,0,0]=3 499 B9R1.2 CSc1nccc(n1)N 62a_100000757536_200000210301 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.2 CSc1nccc(n1)N 62a_200000210301_100000757536 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 CSc1ncnc(n1)N 62a_100000123831_200000210301 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.2 CSc1ncnc(n1)N 62a_200000210301_100000123831 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,1,0,0,0,1|1,0,0]=3 506 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [0,1,0,0,0,1|1,0,0]=3 507 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [0,1,0,0,0,1|1,0,0]=3 508 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_100000744208_200025704644 [0,1,0,0,0,1|1,0,0]=3 509 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000744208 [0,1,0,0,0,1|1,0,0]=3 510 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [0,1,0,0,0,1|1,0,0]=3 526 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_100010161198_200025704644 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_200025704644_100010161198 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200009880791_200025704644 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200025704644_200009880791 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_100000701291_200025704644 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_200025704644_100000701291 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.2 [13CH3]Sc1cc(ncn1)O 62a_200025704644_100000765262 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_100009814637_200025704644 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_200025704644_100009814637 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_100000035001_200025704644 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_200025704644_100000035001 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_100009816116_200025704644 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_200025704644_100009816116 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_100010154678_200025704644 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_200025704644_100010154678 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_100000055538_200025704644 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_200025704644_100000055538 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_100000757536_200025704644 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_200025704644_100000757536 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.2 [13CH3]Sc1ncnc(n1)N 62a_100000123831_200025704644 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.2 [13CH3]Sc1ncnc(n1)N 62a_200025704644_100000123831 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.3 Cc1ccnc(c1C)O 271570a_203496583355_100009847204 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.3 Cc1ccnc(c1F)O 271570a_203496583355_100009817629 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.3 Cc1ccnc(c1N)O 271570a_203496583355_100000763560 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.3 Cc1ccnc(c1O)C 271570a_203496583355_100012000501 [0,1,0,0,0,1|1,0,0]=3 571 B9R1.3 Cc1ccnc(c1O)F 271570a_203496583355_100009818256 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.3 Cc1ccnc(c1O)N 271570a_203496583355_100011998619 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100000696282 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100012000493 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.3 Cc1nc[nH]c(=O)c1O 271570a_203496583355_100011356812 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.3 Cc1nccc(c1C)O 271570a_203496583355_100009846815 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.3 Cc1nccc(c1Cl)O 271570a_203496583355_100000698670 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.3 Cc1nccc(c1F)O 271570a_203496583355_100009849794 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.3 Cc1nccc(c1N)O 271570a_203496583355_100009885578 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.3 Cc1nccc(c1O)N 271570a_203496583355_100010243816 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.3 Cc1ncnc(c1C)O 271570a_203496583355_100011438038 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.3 Cc1ncnc(c1F)O 271570a_203496583355_100011671633 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.3 Cc1ncnc(c1O)C 271570a_203496583355_100009820708 [0,1,0,0,0,1|1,0,0]=3 584 B9R1.3 Cc1ncnc(c1O)N 271570a_203496583355_100011996190 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.34 Cc1cc(cc(c1)O)C 271570a_203496583355_100011215608 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.34 Cc1cc(cc(n1)C)O 271570a_203496583355_100009816552 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.34 Cc1cc(cc(n1)F)O 271570a_203496583355_100010006595 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.34 Cc1cc(cc(n1)N)O 271570a_203496583355_100000076705 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.34 Cc1cc(nc(c1)F)O 271570a_203496583355_100009819601 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.34 Cc1cc(nc(c1)O)C 271570a_203496583355_100000069240 [0,1,0,0,0,1|1,0,0]=3 591 B9R1.34 Cc1cc(nc(c1)O)N 271570a_203496583355_100009819863 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.34 Cc1cc(nc(n1)C)O 271570a_203496583355_100000736142 [0,1,0,0,0,1|1,0,0]=3 593 B9R1.34 Cc1cc(nc(n1)N)O 271570a_203496583355_100000183061 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.34 Cc1cc(nc(n1)O)C 271570a_203496583355_100000736147 [0,1,0,0,0,1|1,0,0]=3 595 B9R1.34 Cc1cc(nc(n1)O)N 271570a_203496583355_100000687285 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.34 Cc1nc(cc(n1)O)N 271570a_203496583355_100012178882 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.34 Cc1nc(cc(n1)O)O 271570a_203496583355_106741647437 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.34 Cc1nc(nc(n1)O)C 271570a_203496583355_100015468570 [0,1,0,0,0,1|1,0,0]=3 599 B9R1.34 Cc1nc(nc(n1)O)N 271570a_203496583355_200012022553 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.69 Cc1cc(c(cn1)C)O 271570a_203496583355_100009862788 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.69 Cc1cc(c(cn1)F)O 271570a_203496583355_100009867690 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [0,1,0,0,0,1|1,0,0]=3 603 B9R1.69 Cc1cc(c(cn1)O)N 271570a_203496583355_100009817891 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.69 Cc1cc(ncc1Br)O 271570a_203496583355_100012356354 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.69 Cc1cc(ncc1F)O 271570a_203496583355_100009818257 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.69 Cc1cc(ncc1N)O 271570a_203496583355_100000765520 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.69 Cc1cc(ncc1O)Br 271570a_203496583355_100009816104 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.69 Cc1cc(ncc1O)Cl 271570a_203496583355_100010172789 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.69 Cc1cc(ncc1O)F 271570a_203496583355_100009820716 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.69 Cc1cc(ncc1O)N 271570a_203496583355_100000050067 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100000692680 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100010114363 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.69 Cc1nc(ncc1Cl)O 271570a_203496583355_100010174973 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.69 Cc1nc(ncc1F)O 271570a_203496583355_100015641512 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.69 Cc1nc(ncc1N)O 271570a_203496583355_100000123670 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.69 Cc1nc(ncc1O)N 271570a_203496583355_100000725598 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.69 Cc1ncc(c(n1)N)O 271570a_203496583355_100000684960 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.69 Cc1ncc(c(n1)O)F 271570a_203496583355_100000059819 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.69 Cc1ncc(c(n1)O)N 271570a_203496583355_100009873743 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [0,1,0,0,0,1|1,0,1]=4 627 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [0,1,0,0,0,1|1,0,1]=4 628 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [0,1,0,0,0,1|1,0,1]=4 629 B9R1.15 C=Cc1cncnc1C 271570a_100011290941_100009819671 [0,1,0,0,0,1|1,0,1]=4 630 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [0,1,0,0,0,1|1,0,1]=4 631 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [0,1,0,0,0,1|1,0,1]=4 632 B9R1.15 C=Cc1ncncc1C 271570a_100011290941_100011998708 [0,1,0,0,0,1|1,0,1]=4 633 B9R1.15 C=Cc1nnccc1C 271570a_100011290941_100000089043 [0,1,0,0,0,1|1,0,1]=4 634 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [0,1,0,0,0,1|1,0,0]=3 645 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [0,1,0,0,0,1|1,0,0]=3 650 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [0,1,0,0,0,1|1,0,0]=3 653 B9R1.15 CNc1ncncc1F 27a_100102657272_100000069762 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.15 CNc1ncncc1N 27a_100102657272_100000709731 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.15 CNc1nnccc1C 27a_100102657272_100000089043 [0,1,0,0,0,1|1,0,0]=3 657 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [0,1,0,0,0,1|1,0,0]=3 662 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [0,1,0,0,0,1|1,0,0]=3 663 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [0,1,0,0,0,1|1,0,0]=3 674 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [0,1,0,0,0,1|1,0,0]=3 678 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [0,1,0,0,0,1|1,0,0]=3 679 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.15 COc1cncnc1N 7a_100000112926_200000210301 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [0,1,0,0,0,1|1,0,0]=3 690 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [0,1,0,0,0,1|1,0,0]=3 697 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [0,1,0,0,0,1|1,0,0]=3 698 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.15 CSc1ccn[nH]c1=O 62a_200000210301_100000087129 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [0,1,0,0,0,1|1,0,0]=3 710 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [0,1,0,0,0,1|1,0,0]=3 711 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [0,1,0,0,0,1|1,0,0]=3 722 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [0,1,0,0,0,1|1,0,0]=3 723 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.15 CSc1cncnc1Br 62a_200000210301_200012461658 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.15 CSc1cncnc1Br 62a_200012461658_200000210301 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.15 CSc1cncnc1C 62a_100009819671_200000210301 [0,1,0,0,0,1|1,0,0]=3 732 B9R1.15 CSc1cncnc1C 62a_200000210301_100009819671 [0,1,0,0,0,1|1,0,0]=3 733 B9R1.15 CSc1cncnc1Cl 62a_100000758962_200000210301 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.15 CSc1cncnc1Cl 62a_200000210301_100000758962 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.15 CSc1cncnc1N 62a_100011996079_200000210301 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.15 CSc1cncnc1N 62a_200000210301_100011996079 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.15 CSc1cncnc1O 62a_100000751107_200000210301 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.15 CSc1cncnc1O 62a_200000210301_100000751107 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [0,1,0,0,0,1|1,0,0]=3 743 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [0,1,0,0,0,1|1,0,0]=3 744 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [0,1,0,0,0,1|1,0,0]=3 754 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [0,1,0,0,0,1|1,0,0]=3 755 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.15 CSc1ncncc1C 62a_100011998708_200000210301 [0,1,0,0,0,1|1,0,0]=3 762 B9R1.15 CSc1ncncc1C 62a_200000210301_100011998708 [0,1,0,0,0,1|1,0,0]=3 763 B9R1.15 CSc1ncncc1F 62a_100000069762_200000210301 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.15 CSc1ncncc1F 62a_200000210301_100000069762 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.15 CSc1ncncc1N 62a_100000709731_200000210301 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.15 CSc1ncncc1N 62a_200000210301_100000709731 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.15 CSc1nnccc1C 62a_200000210301_100000089043 [0,1,0,0,0,1|1,0,0]=3 768 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [0,1,0,0,0,1|1,0,0]=3 774 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [0,1,0,0,0,1|1,0,0]=3 775 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [0,1,0,0,0,1|1,0,0]=3 776 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [0,1,0,0,0,1|1,0,0]=3 777 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [0,1,0,0,0,1|1,0,0]=3 778 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [0,1,0,0,0,1|1,0,0]=3 779 B9R1.15 Cc1ccnnc1S[13CH3] 62a_200025704644_100000089043 [0,1,0,0,0,1|1,0,0]=3 780 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [0,1,0,0,0,1|1,0,0]=3 781 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [0,1,0,0,0,1|1,0,0]=3 782 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [0,1,0,0,0,1|1,0,0]=3 783 B9R1.15 Cc1cncnc1S[13CH3] 62a_100011998708_200025704644 [0,1,0,0,0,1|1,0,0]=3 784 B9R1.15 Cc1cncnc1S[13CH3] 62a_200025704644_100011998708 [0,1,0,0,0,1|1,0,0]=3 785 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [0,1,0,0,0,1|1,0,0]=3 786 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [0,1,0,0,0,1|1,0,0]=3 787 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [0,1,0,0,0,1|1,0,0]=3 788 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [0,1,0,0,0,1|1,0,0]=3 789 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [0,1,0,0,0,1|1,0,0]=3 790 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [0,1,0,0,0,1|1,0,0]=3 791 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [0,1,0,0,0,1|1,0,0]=3 792 B9R1.15 Cc1ncncc1S[13CH3] 62a_100009819671_200025704644 [0,1,0,0,0,1|1,0,0]=3 793 B9R1.15 Cc1ncncc1S[13CH3] 62a_200025704644_100009819671 [0,1,0,0,0,1|1,0,0]=3 794 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [0,1,0,0,0,1|2,0,0]=4 800 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [0,1,0,0,0,1|2,0,0]=4 804 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [0,1,0,0,0,1|2,0,0]=4 805 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.15 [13CH3]Oc1cncnc1N 7a_100000112926_200025704644 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [0,1,0,0,0,1|2,0,0]=4 824 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.15 [13CH3]Sc1ccn[nH]c1=O 62a_200025704644_100000087129 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.15 [13CH3]Sc1cncnc1Br 62a_200012461658_200025704644 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.15 [13CH3]Sc1cncnc1Br 62a_200025704644_200012461658 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.15 [13CH3]Sc1cncnc1Cl 62a_100000758962_200025704644 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.15 [13CH3]Sc1cncnc1Cl 62a_200025704644_100000758962 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.15 [13CH3]Sc1cncnc1N 62a_100011996079_200025704644 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.15 [13CH3]Sc1cncnc1N 62a_200025704644_100011996079 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.15 [13CH3]Sc1cncnc1O 62a_100000751107_200025704644 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.15 [13CH3]Sc1cncnc1O 62a_200025704644_100000751107 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.15 [13CH3]Sc1ncncc1F 62a_100000069762_200025704644 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.15 [13CH3]Sc1ncncc1F 62a_200025704644_100000069762 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.15 [13CH3]Sc1ncncc1N 62a_100000709731_200025704644 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.15 [13CH3]Sc1ncncc1N 62a_200025704644_100000709731 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [0,2,0,0,0,0|1,0,1]=4 882 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,2,0,0,0,0|1,0,1]=4 883 B9R1.14 C=Cc1ncsc1CO 271570a_100011290941_100012000948 [0,2,0,0,0,0|0,0,1]=3 884 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,2,0,0,0,0|1,0,1]=4 885 B9R1.14 C=Cc1sccc1CN 271570a_100011290941_100000727803 [0,2,0,0,0,0|1,0,1]=4 886 B9R1.14 C=Cc1sccc1CO 271570a_100011290941_100009816922 [0,2,0,0,0,0|1,0,1]=4 887 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,2,0,0,0,0|1,0,0]=3 888 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,2,0,0,0,0|1,0,0]=3 889 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,2,0,0,0,0|1,0,0]=3 890 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,2,0,0,0,0|1,0,0]=3 891 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [0,2,0,0,0,0|2,0,0]=4 892 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [0,2,0,0,0,0|2,0,0]=4 893 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [0,2,0,0,0,0|2,0,0]=4 894 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [0,2,0,0,0,0|2,0,0]=4 895 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [0,2,0,0,0,0|2,0,0]=4 896 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [0,2,0,0,0,0|2,0,0]=4 897 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [0,2,0,0,0,0|2,0,0]=4 898 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [0,2,0,0,0,0|2,0,0]=4 899 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [0,2,0,0,0,0|2,0,0]=4 900 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [0,2,0,0,0,0|2,0,0]=4 901 B9R1.14 CCn1ncnc1NC 27a_100102657272_100009879425 [0,2,0,0,0,0|2,0,0]=4 902 B9R1.14 CCn1ncnc1SC 62a_100009879425_200000210301 [0,2,0,0,0,0|2,0,0]=4 903 B9R1.14 CCn1ncnc1SC 62a_200000210301_100009879425 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.14 CCn1ncnc1S[13CH3] 62a_100009879425_200025704644 [0,2,0,0,0,0|2,0,0]=4 905 B9R1.14 CCn1ncnc1S[13CH3] 62a_200025704644_100009879425 [0,2,0,0,0,0|2,0,0]=4 906 B9R1.14 CNc1sccc1C#N 27a_100102657272_100009817073 [0,2,0,0,0,0|1,0,1]=4 907 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [0,2,0,0,0,0|2,0,0]=4 908 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [0,2,0,0,0,0|2,0,0]=4 909 B9R1.14 CSc1[nH]cnc1C=O 62a_100015192532_200000210301 [0,2,0,0,0,0|1,0,1]=4 910 B9R1.14 CSc1[nH]cnc1C=O 62a_200000210301_100015192532 [0,2,0,0,0,0|1,0,1]=4 911 B9R1.14 CSc1ccsc1C#N 62a_200000210301_100011215142 [0,2,0,0,0,0|1,0,1]=4 912 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [0,2,0,0,0,0|1,0,1]=4 913 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [0,2,0,0,0,0|1,0,1]=4 914 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [0,2,0,0,0,0|1,0,0]=3 915 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [0,2,0,0,0,0|1,0,0]=3 916 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [0,2,0,0,0,0|1,0,0]=3 917 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [0,2,0,0,0,0|1,0,0]=3 918 B9R1.14 CSc1ncsc1CO 62a_100012000948_200000210301 [0,2,0,0,0,0|0,0,0]=2 919 B9R1.14 CSc1ncsc1CO 62a_200000210301_100012000948 [0,2,0,0,0,0|0,0,0]=2 920 B9R1.14 CSc1sccc1C#N 62a_200000210301_100009817073 [0,2,0,0,0,0|1,0,1]=4 921 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,2,0,0,0,0|1,0,1]=4 922 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,2,0,0,0,0|1,0,1]=4 923 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [0,2,0,0,0,0|1,0,0]=3 924 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [0,2,0,0,0,0|1,0,0]=3 925 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [0,2,0,0,0,0|1,0,0]=3 926 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [0,2,0,0,0,0|1,0,0]=3 927 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [0,2,0,0,0,0|1,0,0]=3 928 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [0,2,0,0,0,0|1,0,0]=3 929 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_100015192532_200025704644 [0,2,0,0,0,0|1,0,1]=4 930 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_200025704644_100015192532 [0,2,0,0,0,0|1,0,1]=4 931 B9R1.14 [13CH3]Sc1ccsc1C#N 62a_200025704644_100011215142 [0,2,0,0,0,0|1,0,1]=4 932 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [0,2,0,0,0,0|1,0,1]=4 933 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [0,2,0,0,0,0|1,0,1]=4 934 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [0,2,0,0,0,0|1,0,0]=3 935 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [0,2,0,0,0,0|1,0,0]=3 936 B9R1.14 [13CH3]Sc1ncsc1CO 62a_100012000948_200025704644 [0,2,0,0,0,0|0,0,0]=2 937 B9R1.14 [13CH3]Sc1ncsc1CO 62a_200025704644_100012000948 [0,2,0,0,0,0|0,0,0]=2 938 B9R1.14 [13CH3]Sc1sccc1C#N 62a_200025704644_100009817073 [0,2,0,0,0,0|1,0,1]=4 939 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,2,0,0,0,0|1,0,1]=4 940 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,2,0,0,0,0|1,0,1]=4 941 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [0,2,0,0,0,0|1,0,0]=3 942 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [0,2,0,0,0,0|1,0,0]=3 943 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [0,2,0,0,0,0|1,0,0]=3 944 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [0,2,0,0,0,0|1,0,0]=3 945 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,2,0,0,0,0|1,0,1]=4 946 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [0,2,0,0,0,0|0,0,1]=3 947 B9R1.22 C=Cc1nc(sc1C)N 271570a_100011290941_100009817509 [0,2,0,0,0,0|0,0,1]=3 948 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [0,2,0,0,0,0|1,0,1]=4 949 B9R1.22 C=Cc1sc(nc1C)C 271570a_100011290941_100009814099 [0,2,0,0,0,0|0,0,1]=3 950 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [0,2,0,0,0,0|2,0,0]=4 951 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [0,2,0,0,0,0|2,0,0]=4 952 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,2,0,0,0,0|2,0,0]=4 954 B9R1.22 CSc1cc(nn1C)N 62a_100116209741_200000210301 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.22 CSc1cc(nn1C)N 62a_200000210301_100116209741 [0,2,0,0,0,0|2,0,0]=4 956 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,2,0,0,0,0|1,0,0]=3 957 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,2,0,0,0,0|1,0,0]=3 958 B9R1.22 CSc1cc(sc1Cl)Cl 62a_200000210301_100010244177 [0,2,0,0,0,0|2,0,0]=4 959 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [0,2,0,0,0,0|2,0,0]=4 960 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [0,2,0,0,0,0|2,0,0]=4 961 B9R1.22 CSc1nc([nH]c1C)C 62a_200000210301_200009820778 [0,2,0,0,0,0|1,0,0]=3 962 B9R1.22 CSc1nc([nH]c1C)C 62a_200009820778_200000210301 [0,2,0,0,0,0|1,0,0]=3 963 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [0,2,0,0,0,0|2,0,0]=4 964 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [0,2,0,0,0,0|2,0,0]=4 965 B9R1.22 CSc1nc(sc1C)C 62a_100010270876_200000210301 [0,2,0,0,0,0|0,0,0]=2 966 B9R1.22 CSc1nc(sc1C)C 62a_200000210301_100010270876 [0,2,0,0,0,0|0,0,0]=2 967 B9R1.22 CSc1nc(sc1C)N 62a_100009817509_200000210301 [0,2,0,0,0,0|0,0,0]=2 968 B9R1.22 CSc1nc(sc1C)N 62a_200000210301_100009817509 [0,2,0,0,0,0|0,0,0]=2 969 B9R1.22 CSc1nn(cc1C)C 62a_100011072604_200000210301 [0,2,0,0,0,0|2,0,0]=4 970 B9R1.22 CSc1nn(cc1C)C 62a_200000210301_100011072604 [0,2,0,0,0,0|2,0,0]=4 971 B9R1.22 CSc1nn(nc1C)C 62a_200000210301_200009884731 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.22 CSc1nn(nc1C)C 62a_200009884731_200000210301 [0,2,0,0,0,0|2,0,0]=4 973 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,2,0,0,0,0|1,0,0]=3 975 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [0,2,0,0,0,0|0,0,0]=2 976 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [0,2,0,0,0,0|0,0,0]=2 977 B9R1.22 CSc1sc(nc1C)N 62a_100159269596_200000210301 [0,2,0,0,0,0|0,0,0]=2 978 B9R1.22 CSc1sc(nc1C)N 62a_200000210301_100159269596 [0,2,0,0,0,0|0,0,0]=2 979 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,2,0,0,0,0|1,0,0]=3 980 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,2,0,0,0,0|1,0,0]=3 981 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,2,0,0,0,0|1,0,0]=3 982 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,2,0,0,0,0|1,0,0]=3 983 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,2,0,0,0,0|2,0,0]=4 986 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,2,0,0,0,0|1,0,1]=4 987 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_100011072604_200025704644 [0,2,0,0,0,0|2,0,0]=4 990 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_200025704644_100011072604 [0,2,0,0,0,0|2,0,0]=4 991 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200009820778_200025704644 [0,2,0,0,0,0|1,0,0]=3 992 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200025704644_200009820778 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_100010270876_200025704644 [0,2,0,0,0,0|0,0,0]=2 994 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_200025704644_100010270876 [0,2,0,0,0,0|0,0,0]=2 995 B9R1.22 Cc1nc(c(s1)O)CO 271570a_203496583355_100011103066 [0,2,0,0,0,0|1,0,0]=3 996 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [0,2,0,0,0,0|0,0,0]=2 997 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [0,2,0,0,0,0|0,0,0]=2 998 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [0,2,0,0,0,0|0,0,1]=3 999 B9R1.22 Cc1nc(sc1CO)O 271570a_203496583355_100010264302 [0,2,0,0,0,0|0,0,0]=2 1000 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_100159269596_200025704644 [0,2,0,0,0,0|0,0,0]=2 1001 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_200025704644_100159269596 [0,2,0,0,0,0|0,0,0]=2 1002 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [0,2,0,0,0,0|2,0,0]=4 1004 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200009884731_200025704644 [0,2,0,0,0,0|2,0,0]=4 1005 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200025704644_200009884731 [0,2,0,0,0,0|2,0,0]=4 1006 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [0,2,0,0,0,0|0,1,1]=4 1007 B9R1.22 Cc1sc(nc1CO)O 271570a_203496583355_100010127906 [0,2,0,0,0,0|0,0,0]=2 1008 B9R1.22 Cc1sc(nc1S[13CH3])N 62a_100009817509_200025704644 [0,2,0,0,0,0|0,0,0]=2 1009 B9R1.22 Cc1sc(nc1S[13CH3])N 62a_200025704644_100009817509 [0,2,0,0,0,0|0,0,0]=2 1010 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_100116209741_200025704644 [0,2,0,0,0,0|2,0,0]=4 1011 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_200025704644_100116209741 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.22 [13CH3]Sc1cc(sc1Cl)Cl 62a_200025704644_100010244177 [0,2,0,0,0,0|2,0,0]=4 1013 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [0,2,0,0,0,0|2,0,0]=4 1014 B9R1.27 COc1c(n[nH]c1C)C 34a_100012186652_200000210301 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.27 CSc1c(n[nH]c1C)C 62a_100000238710_200000210301 [0,2,0,0,0,0|2,0,0]=4 1016 B9R1.27 CSc1c(n[nH]c1C)C 62a_200000210301_100000238710 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.27 CSc1c(n[nH]c1N)C 62a_100000182022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.27 CSc1c(n[nH]c1N)C 62a_200000210301_100000182022 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.27 CSc1c(nnn1C)C 62a_100016037793_200000210301 [0,2,0,0,0,0|2,0,0]=4 1020 B9R1.27 CSc1c(nnn1C)C 62a_200000210301_100016037793 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.27 CSc1c(noc1C)C 62a_100000694658_200000210301 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.27 CSc1c(noc1C)C 62a_200000210301_100000694658 [0,2,0,0,0,0|2,0,0]=4 1023 B9R1.27 CSc1c(noc1N)C 62a_100000754107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1024 B9R1.27 CSc1c(noc1N)C 62a_200000210301_100000754107 [0,2,0,0,0,0|2,0,0]=4 1025 B9R1.27 CSc1c(nsc1N)C 62a_100000701153_200000210301 [0,2,0,0,0,0|2,0,0]=4 1026 B9R1.27 CSc1c(nsc1N)C 62a_200000210301_100000701153 [0,2,0,0,0,0|2,0,0]=4 1027 B9R1.27 Cc1n[nH]c(c1O[13CH3])C 34a_100012186652_200025704644 [0,2,0,0,0,0|2,0,0]=4 1028 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_100000238710_200025704644 [0,2,0,0,0,0|2,0,0]=4 1029 B9R1.27 Cc1n[nH]c(c1S[13CH3])C 62a_200025704644_100000238710 [0,2,0,0,0,0|2,0,0]=4 1030 B9R1.27 Cc1n[nH]c(c1S[13CH3])N 62a_100000182022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1031 B9R1.27 Cc1n[nH]c(c1S[13CH3])N 62a_200025704644_100000182022 [0,2,0,0,0,0|2,0,0]=4 1032 B9R1.27 Cc1nnn(c1S[13CH3])C 62a_100016037793_200025704644 [0,2,0,0,0,0|2,0,0]=4 1033 B9R1.27 Cc1nnn(c1S[13CH3])C 62a_200025704644_100016037793 [0,2,0,0,0,0|2,0,0]=4 1034 B9R1.27 Cc1noc(c1S[13CH3])C 62a_100000694658_200025704644 [0,2,0,0,0,0|2,0,0]=4 1035 B9R1.27 Cc1noc(c1S[13CH3])C 62a_200025704644_100000694658 [0,2,0,0,0,0|2,0,0]=4 1036 B9R1.27 Cc1noc(c1S[13CH3])N 62a_100000754107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1037 B9R1.27 Cc1noc(c1S[13CH3])N 62a_200025704644_100000754107 [0,2,0,0,0,0|2,0,0]=4 1038 B9R1.27 Cc1nsc(c1S[13CH3])N 62a_100000701153_200025704644 [0,2,0,0,0,0|2,0,0]=4 1039 B9R1.27 Cc1nsc(c1S[13CH3])N 62a_200025704644_100000701153 [0,2,0,0,0,0|2,0,0]=4 1040 B9R1.27 Cn1ncc(c1CO)O 271570a_203496583355_100012039568 [0,2,0,0,0,0|2,0,0]=4 1041 B9R1.33 C=C=Cc1ccsc1C 271570a_100015277604_100000684487 [0,2,0,0,0,0|1,0,1]=4 1042 B9R1.33 C=C=Cc1nc[nH]c1C 271570a_100015277604_100009816806 [0,2,0,0,0,0|1,0,1]=4 1043 B9R1.33 C=C=Cc1ncsc1C 271570a_100015277604_100000732656 [0,2,0,0,0,0|0,0,1]=3 1044 B9R1.33 C=C=Cc1sccc1C 271570a_100015277604_100000742657 [0,2,0,0,0,0|1,0,1]=4 1045 B9R1.33 C=C=Cc1scnc1C 271570a_100015277604_100009817116 [0,2,0,0,0,0|0,0,1]=3 1046 B9R1.33 CC=Cc1[nH]cnc1Cl 271570a_100016259895_100010200774 [0,2,0,0,0,0|2,0,0]=4 1047 B9R1.33 CC=Cc1c[nH]nc1C 271570a_100016259895_100011912673 [0,2,0,0,0,0|2,0,0]=4 1048 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [0,2,0,0,0,0|2,0,0]=4 1049 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [0,2,0,0,0,0|1,0,0]=3 1050 B9R1.33 CC=Cc1n[nH]cc1C 271570a_100016259895_100009871783 [0,2,0,0,0,0|2,0,0]=4 1051 B9R1.33 CC=Cc1nc[nH]c1C 271570a_100016259895_100009816806 [0,2,0,0,0,0|1,0,0]=3 1052 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [0,2,0,0,0,0|2,0,0]=4 1053 B9R1.33 CC=Cc1ncnn1C 271570a_100016259895_100000732653 [0,2,0,0,0,0|2,0,0]=4 1054 B9R1.33 CC=Cc1ncsc1C 271570a_100016259895_100000732656 [0,2,0,0,0,0|0,0,0]=2 1055 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [0,2,0,0,0,0|2,0,0]=4 1056 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.33 CC=Cc1scnc1C 271570a_100016259895_100009817116 [0,2,0,0,0,0|0,0,0]=2 1058 B9R1.33 CCNc1ncnn1C 27a_100015525214_100000732653 [0,2,0,0,0,0|2,0,0]=4 1059 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [0,2,0,0,0,0|2,0,0]=4 1060 B9R1.33 CCSc1[nH]cnc1Cl 62a_100000210202_100010200774 [0,2,0,0,0,0|2,0,0]=4 1061 B9R1.33 CCSc1[nH]cnc1Cl 62a_100010200774_100000210202 [0,2,0,0,0,0|2,0,0]=4 1062 B9R1.33 CCSc1c[nH]nc1C 62a_100000210202_100000692133 [0,2,0,0,0,0|2,0,0]=4 1063 B9R1.33 CCSc1c[nH]nc1C 62a_100000692133_100000210202 [0,2,0,0,0,0|2,0,0]=4 1064 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [0,2,0,0,0,0|2,0,0]=4 1066 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [0,2,0,0,0,0|1,0,0]=3 1067 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [0,2,0,0,0,0|1,0,0]=3 1068 B9R1.33 CCSc1n[nH]cc1C 62a_100000210202_100009871783 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.33 CCSc1n[nH]cc1C 62a_100009871783_100000210202 [0,2,0,0,0,0|2,0,0]=4 1070 B9R1.33 CCSc1nc[nH]c1C 62a_100000210202_100010186451 [0,2,0,0,0,0|1,0,0]=3 1071 B9R1.33 CCSc1nc[nH]c1C 62a_100010186451_100000210202 [0,2,0,0,0,0|1,0,0]=3 1072 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [0,2,0,0,0,0|2,0,0]=4 1073 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.33 CCSc1ncnn1C 62a_100000210202_100000732653 [0,2,0,0,0,0|2,0,0]=4 1075 B9R1.33 CCSc1ncnn1C 62a_100000732653_100000210202 [0,2,0,0,0,0|2,0,0]=4 1076 B9R1.33 CCSc1ncsc1C 62a_100000210202_100000732656 [0,2,0,0,0,0|0,0,0]=2 1077 B9R1.33 CCSc1ncsc1C 62a_100000732656_100000210202 [0,2,0,0,0,0|0,0,0]=2 1078 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,2,0,0,0,0|2,0,0]=4 1079 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,2,0,0,0,0|2,0,0]=4 1080 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,2,0,0,0,0|1,0,0]=3 1081 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,2,0,0,0,0|1,0,0]=3 1082 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [0,2,0,0,0,0|0,0,0]=2 1083 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [0,2,0,0,0,0|0,0,0]=2 1084 B9R1.33 CNCc1c[nH]nc1C 207a_100102657272_100000737037 [0,2,0,0,0,0|2,0,0]=4 1085 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [0,2,0,0,0,0|2,0,0]=4 1086 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [0,2,0,0,0,0|2,0,0]=4 1087 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [0,2,0,0,0,0|2,0,0]=4 1088 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [0,2,0,0,0,0|2,0,0]=4 1089 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [0,2,0,0,0,0|2,0,0]=4 1090 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [0,2,0,0,0,0|2,0,0]=4 1091 B9R1.33 CNCc1ccsc1Br 207a_100102657272_100009816921 [0,2,0,0,0,0|2,0,0]=4 1092 B9R1.33 CNCc1ccsc1Br 2230a_100000727803_200000210301 [0,2,0,0,0,0|2,0,0]=4 1093 B9R1.33 CNCc1ccsc1Br 2230a_106832991635_100009814289 [0,2,0,0,0,0|2,0,0]=4 1094 B9R1.33 CNCc1ccsc1Br 270004a_106832991635_100009816921 [0,2,0,0,0,0|2,0,0]=4 1095 B9R1.33 CNCc1ccsc1Br 34a_100000727803_200000210301 [0,2,0,0,0,0|2,0,0]=4 1096 B9R1.33 CNCc1ccsc1Br 34a_100102657272_100009814289 [0,2,0,0,0,0|2,0,0]=4 1097 B9R1.33 CNCc1ccsc1Br 7a_106832991635_100009814289 [0,2,0,0,0,0|2,0,0]=4 1098 B9R1.33 CNCc1ccsc1Cl 207a_100102657272_100000089901 [0,2,0,0,0,0|2,0,0]=4 1099 B9R1.33 CNCc1ccsc1Cl 2230a_106832991635_100010167017 [0,2,0,0,0,0|2,0,0]=4 1100 B9R1.33 CNCc1ccsc1Cl 270004a_106832991635_100000089901 [0,2,0,0,0,0|2,0,0]=4 1101 B9R1.33 CNCc1ccsc1Cl 34a_100102657272_100010167017 [0,2,0,0,0,0|2,0,0]=4 1102 B9R1.33 CNCc1ccsc1Cl 7a_106832991635_100010167017 [0,2,0,0,0,0|2,0,0]=4 1103 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [0,2,0,0,0,0|2,0,0]=4 1104 B9R1.33 CNCc1nc[nH]c1C 207a_100102657272_100000032982 [0,2,0,0,0,0|1,0,0]=3 1105 B9R1.33 CNCc1nc[nH]c1C 2230a_106832991635_100000751220 [0,2,0,0,0,0|1,0,0]=3 1106 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [0,2,0,0,0,0|2,0,0]=4 1107 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [0,2,0,0,0,0|2,0,0]=4 1108 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [0,2,0,0,0,0|2,0,0]=4 1109 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [0,2,0,0,0,0|2,0,0]=4 1110 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [0,2,0,0,0,0|2,0,0]=4 1111 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [0,2,0,0,0,0|2,0,0]=4 1112 B9R1.33 CNCc1ncoc1C 2230a_106832991635_200000693990 [0,2,0,0,0,0|0,1,0]=3 1113 B9R1.33 CNCc1ncoc1C 34a_100102657272_200000693990 [0,2,0,0,0,0|0,1,0]=3 1114 B9R1.33 CNCc1ncoc1C 7a_106832991635_200000693990 [0,2,0,0,0,0|0,1,0]=3 1115 B9R1.33 CNCc1nnsc1Cl 2230a_106832991635_100000018852 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.33 CNCc1nnsc1Cl 7a_106832991635_100000018852 [0,2,0,0,0,0|2,0,0]=4 1117 B9R1.33 CNCc1nonc1C 2230a_106832991635_200000044682 [0,2,0,0,0,0|2,0,0]=4 1118 B9R1.33 CNCc1nonc1C 34a_100102657272_200000044682 [0,2,0,0,0,0|2,0,0]=4 1119 B9R1.33 CNCc1nonc1C 7a_106832991635_200000044682 [0,2,0,0,0,0|2,0,0]=4 1120 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,2,0,0,0,0|1,1,0]=4 1121 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,2,0,0,0,0|1,1,0]=4 1122 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,2,0,0,0,0|2,0,0]=4 1123 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,2,0,0,0,0|2,0,0]=4 1124 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,2,0,0,0,0|1,0,0]=3 1125 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,2,0,0,0,0|1,0,0]=3 1126 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,2,0,0,0,0|1,0,0]=3 1127 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,2,0,0,0,0|1,0,0]=3 1128 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,2,0,0,0,0|2,0,0]=4 1129 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,2,0,0,0,0|2,0,0]=4 1130 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,2,0,0,0,0|2,0,0]=4 1131 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,2,0,0,0,0|2,0,0]=4 1132 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,2,0,0,0,0|2,0,0]=4 1133 B9R1.33 CNCc1scnc1C 207a_100102657272_100000764165 [0,2,0,0,0,0|0,0,0]=2 1134 B9R1.33 CNCc1scnc1C 2230a_100000752186_200000210301 [0,2,0,0,0,0|0,0,0]=2 1135 B9R1.33 CNCc1snnc1C 2230a_100000732738_200000210301 [0,2,0,0,0,0|1,0,0]=3 1136 B9R1.33 CNCc1snnc1C 2230a_106832991635_100000732739 [0,2,0,0,0,0|1,0,0]=3 1137 B9R1.33 CNCc1snnc1C 270004a_106832991635_100000732746 [0,2,0,0,0,0|1,0,0]=3 1138 B9R1.33 CNCc1snnc1C 34a_100102657272_100000732739 [0,2,0,0,0,0|1,0,0]=3 1139 B9R1.33 CNCc1snnc1C 7a_106832991635_100000732739 [0,2,0,0,0,0|1,0,0]=3 1140 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,2,0,0,0,0|2,0,0]=4 1141 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,2,0,0,0,0|2,0,0]=4 1142 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,2,0,0,0,0|1,1,0]=4 1143 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,2,0,0,0,0|1,1,0]=4 1144 B9R1.33 COCc1ccsc1Br 34a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.33 COCc1ccsc1Br 34a_100138415774_100009814289 [0,2,0,0,0,0|2,0,0]=4 1146 B9R1.33 COCc1ccsc1Br 7a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1147 B9R1.33 COCc1ccsc1Cl 34a_100138415774_100010167017 [0,2,0,0,0,0|2,0,0]=4 1148 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [0,2,0,0,0,0|2,0,0]=4 1149 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [0,2,0,0,0,0|2,0,0]=4 1150 B9R1.33 COCc1ncnn1C 7a_100000688323_200000210301 [0,2,0,0,0,0|2,0,0]=4 1151 B9R1.33 COCc1ncoc1C 34a_100012017639_200000210301 [0,2,0,0,0,0|0,1,0]=3 1152 B9R1.33 COCc1ncoc1C 34a_100138415774_200000693990 [0,2,0,0,0,0|0,1,0]=3 1153 B9R1.33 COCc1nonc1C 34a_100138415774_200000044682 [0,2,0,0,0,0|2,0,0]=4 1154 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,2,0,0,0,0|1,1,0]=4 1155 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,2,0,0,0,0|1,1,0]=4 1156 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [0,2,0,0,0,0|0,1,0]=3 1157 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [0,2,0,0,0,0|0,1,0]=3 1158 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,2,0,0,0,0|2,0,0]=4 1159 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,2,0,0,0,0|1,0,0]=3 1160 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,2,0,0,0,0|1,0,0]=3 1161 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,2,0,0,0,0|2,0,0]=4 1162 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,2,0,0,0,0|2,0,0]=4 1163 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [0,2,0,0,0,0|1,0,0]=3 1164 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [0,2,0,0,0,0|0,0,0]=2 1165 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [0,2,0,0,0,0|0,0,0]=2 1166 B9R1.33 COCc1snnc1C 34a_100138415774_100000732739 [0,2,0,0,0,0|1,0,0]=3 1167 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,2,0,0,0,0|2,0,0]=4 1169 B9R1.33 CSCc1ccsc1Br 62a_100009814289_200000210301 [0,2,0,0,0,0|2,0,0]=4 1170 B9R1.33 CSCc1ccsc1Br 62a_200000210301_100009814289 [0,2,0,0,0,0|2,0,0]=4 1171 B9R1.33 CSCc1ccsc1Cl 62a_100010167017_200000210301 [0,2,0,0,0,0|2,0,0]=4 1172 B9R1.33 CSCc1ccsc1Cl 62a_200000210301_100010167017 [0,2,0,0,0,0|2,0,0]=4 1173 B9R1.33 CSCc1nc[nH]c1C 62a_100000751220_200000210301 [0,2,0,0,0,0|1,0,0]=3 1174 B9R1.33 CSCc1nc[nH]c1C 62a_200000210301_100000751220 [0,2,0,0,0,0|1,0,0]=3 1175 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [0,2,0,0,0,0|2,0,0]=4 1176 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [0,2,0,0,0,0|2,0,0]=4 1177 B9R1.33 CSCc1ncoc1C 62a_200000210301_200000693990 [0,2,0,0,0,0|0,1,0]=3 1178 B9R1.33 CSCc1ncoc1C 62a_200000693990_200000210301 [0,2,0,0,0,0|0,1,0]=3 1179 B9R1.33 CSCc1nnsc1Cl 62a_200000210301_100000018852 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.33 CSCc1nonc1C 62a_200000044682_200000210301 [0,2,0,0,0,0|2,0,0]=4 1181 B9R1.33 CSCc1nonc1C 62a_200000210301_200000044682 [0,2,0,0,0,0|2,0,0]=4 1182 B9R1.33 CSCc1snnc1C 62a_100000732739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1183 B9R1.33 CSCc1snnc1C 62a_200000210301_100000732739 [0,2,0,0,0,0|1,0,0]=3 1184 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_100000751220_200025704644 [0,2,0,0,0,0|1,0,0]=3 1185 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_200025704644_100000751220 [0,2,0,0,0,0|1,0,0]=3 1186 B9R1.33 Cc1[nH]cnc1SCF 62a_100010186451_100015361967 [0,2,0,0,0,0|1,0,0]=3 1187 B9R1.33 Cc1[nH]cnc1SCF 62a_100015361967_100010186451 [0,2,0,0,0,0|1,0,0]=3 1188 B9R1.33 Cc1c[nH]nc1SCF 62a_100009871783_100015361967 [0,2,0,0,0,0|2,0,0]=4 1189 B9R1.33 Cc1c[nH]nc1SCF 62a_100015361967_100009871783 [0,2,0,0,0,0|2,0,0]=4 1190 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,2,0,0,0,0|1,1,0]=4 1191 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,2,0,0,0,0|1,1,0]=4 1192 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,2,0,0,0,0|1,0,0]=3 1193 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,2,0,0,0,0|1,0,0]=3 1194 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,2,0,0,0,0|1,0,0]=3 1195 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,2,0,0,0,0|1,0,0]=3 1196 B9R1.33 Cc1ccsc1SCF 62a_100010247149_100015361967 [0,2,0,0,0,0|1,0,0]=3 1197 B9R1.33 Cc1ccsc1SCF 62a_100015361967_100010247149 [0,2,0,0,0,0|1,0,0]=3 1198 B9R1.33 Cc1n[nH]cc1SCF 62a_100000692133_100015361967 [0,2,0,0,0,0|2,0,0]=4 1199 B9R1.33 Cc1n[nH]cc1SCF 62a_100015361967_100000692133 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [0,2,0,0,0,0|0,1,0]=3 1201 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [0,2,0,0,0,0|0,1,0]=3 1202 B9R1.33 Cc1ncsc1CN[13CH3] 2230a_100000752186_200025704644 [0,2,0,0,0,0|0,0,0]=2 1203 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [0,2,0,0,0,0|0,0,0]=2 1204 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [0,2,0,0,0,0|0,0,0]=2 1205 B9R1.33 Cc1ncsc1SCF 62a_100009817116_100015361967 [0,2,0,0,0,0|0,0,0]=2 1206 B9R1.33 Cc1ncsc1SCF 62a_100015361967_100009817116 [0,2,0,0,0,0|0,0,0]=2 1207 B9R1.33 Cc1nnsc1CN[13CH3] 2230a_100000732738_200025704644 [0,2,0,0,0,0|1,0,0]=3 1208 B9R1.33 Cc1nnsc1CS[13CH3] 62a_100000732739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1209 B9R1.33 Cc1nnsc1CS[13CH3] 62a_200025704644_100000732739 [0,2,0,0,0,0|1,0,0]=3 1210 B9R1.33 Cc1nonc1CS[13CH3] 62a_200000044682_200025704644 [0,2,0,0,0,0|2,0,0]=4 1211 B9R1.33 Cc1nonc1CS[13CH3] 62a_200025704644_200000044682 [0,2,0,0,0,0|2,0,0]=4 1212 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,2,0,0,0,0|1,1,0]=4 1213 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,2,0,0,0,0|1,1,0]=4 1214 B9R1.33 Cc1ocnc1CO[13CH3] 34a_100012017639_200025704644 [0,2,0,0,0,0|0,1,0]=3 1215 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200000693990_200025704644 [0,2,0,0,0,0|0,1,0]=3 1216 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200025704644_200000693990 [0,2,0,0,0,0|0,1,0]=3 1217 B9R1.33 Cc1sccc1SCF 62a_100000684487_100015361967 [0,2,0,0,0,0|1,0,0]=3 1218 B9R1.33 Cc1sccc1SCF 62a_100015361967_100000684487 [0,2,0,0,0,0|1,0,0]=3 1219 B9R1.33 Cc1scnc1SCF 62a_100000732656_100015361967 [0,2,0,0,0,0|0,0,0]=2 1220 B9R1.33 Cc1scnc1SCF 62a_100015361967_100000732656 [0,2,0,0,0,0|0,0,0]=2 1221 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [0,2,0,0,0,0|2,0,0]=4 1223 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [0,2,0,0,0,0|2,0,0]=4 1224 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [0,2,0,0,0,0|2,0,0]=4 1225 B9R1.33 Cn1ccnc1SCF 62a_100000707724_100015361967 [0,2,0,0,0,0|2,0,0]=4 1226 B9R1.33 Cn1ccnc1SCF 62a_100015361967_100000707724 [0,2,0,0,0,0|2,0,0]=4 1227 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [0,2,0,0,0,0|2,0,0]=4 1228 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,2,0,0,0,0|2,0,0]=4 1229 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,2,0,0,0,0|2,0,0]=4 1230 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,2,0,0,0,0|2,0,0]=4 1231 B9R1.33 Cn1nccc1OCF 34a_100020632926_100015361967 [0,2,0,0,0,0|2,0,0]=4 1232 B9R1.33 Cn1nccc1SCF 62a_100000688441_100015361967 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.33 Cn1nccc1SCF 62a_100015361967_100000688441 [0,2,0,0,0,0|2,0,0]=4 1234 B9R1.33 Cn1ncnc1CO[13CH3] 7a_100000688323_200025704644 [0,2,0,0,0,0|2,0,0]=4 1235 B9R1.33 Cn1ncnc1SCF 62a_100000732653_100015361967 [0,2,0,0,0,0|2,0,0]=4 1236 B9R1.33 Cn1ncnc1SCF 62a_100015361967_100000732653 [0,2,0,0,0,0|2,0,0]=4 1237 B9R1.33 FCSc1[nH]cnc1Cl 62a_100010200774_100015361967 [0,2,0,0,0,0|2,0,0]=4 1238 B9R1.33 FCSc1[nH]cnc1Cl 62a_100015361967_100010200774 [0,2,0,0,0,0|2,0,0]=4 1239 B9R1.33 FCSc1sccc1Br 62a_100012361411_100015361967 [0,2,0,0,0,0|2,0,0]=4 1240 B9R1.33 FCSc1sccc1Br 62a_100015361967_100012361411 [0,2,0,0,0,0|2,0,0]=4 1241 B9R1.33 [13CH3]NCc1ccsc1Br 2230a_100000727803_200025704644 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.33 [13CH3]NCc1ccsc1Br 34a_100000727803_200025704644 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,2,0,0,0,0|2,0,0]=4 1244 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,2,0,0,0,0|2,0,0]=4 1245 B9R1.33 [13CH3]OCc1ccsc1Br 34a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1246 B9R1.33 [13CH3]OCc1ccsc1Br 7a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1247 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,2,0,0,0,0|2,0,0]=4 1248 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,2,0,0,0,0|2,0,0]=4 1249 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,2,0,0,0,0|2,0,0]=4 1250 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [0,2,0,0,0,0|1,0,0]=3 1251 B9R1.33 [13CH3]SCc1ccsc1Br 62a_100009814289_200025704644 [0,2,0,0,0,0|2,0,0]=4 1252 B9R1.33 [13CH3]SCc1ccsc1Br 62a_200025704644_100009814289 [0,2,0,0,0,0|2,0,0]=4 1253 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_100010167017_200025704644 [0,2,0,0,0,0|2,0,0]=4 1254 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_200025704644_100010167017 [0,2,0,0,0,0|2,0,0]=4 1255 B9R1.33 [13CH3]SCc1nnsc1Cl 62a_200025704644_100000018852 [0,2,0,0,0,0|2,0,0]=4 1256 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [0,2,0,0,0,0|2,0,0]=4 1257 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,2,0,0,0,0|2,0,0]=4 1258 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,2,0,0,0,0|2,0,0]=4 1259 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,2,0,0,0,0|1,0,0]=3 1260 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,2,0,0,0,0|2,0,0]=4 1261 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,2,0,0,0,0|1,0,0]=3 1262 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,2,0,0,0,0|2,0,0]=4 1263 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [0,2,0,0,0,0|2,0,0]=4 1264 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,2,0,0,0,0|0,0,0]=2 1265 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,2,0,0,0,0|2,0,0]=4 1266 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,2,0,0,0,0|1,0,0]=3 1267 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,2,0,0,0,0|0,0,0]=2 1268 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,2,0,0,0,0|2,0,0]=4 1269 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,2,0,0,0,0|1,0,0]=3 1270 B9R1.41 CN(C)c1ncnn1C 27a_100102631434_100000732653 [0,2,0,0,0,0|2,0,0]=4 1271 B9R1.41 Oc1ccsc1C(F)F 271570a_203496583355_100000733619 [0,2,0,0,0,0|2,0,0]=4 1272 B9R1.132 C=Cc1cnc(n1C)C 271570a_100011290941_100000762843 [0,2,0,0,0,0|2,0,0]=4 1273 B9R1.132 C=Cc1cnn(c1C)C 271570a_100011290941_100000722751 [0,2,0,0,0,0|2,0,0]=4 1274 B9R1.132 C=Cc1csc(c1C)C 271570a_100011290941_100009820295 [0,2,0,0,0,0|1,0,0]=3 1275 B9R1.132 CCn1ncc(c1C)O 271570a_203496583355_100012002569 [0,2,0,0,0,0|2,0,0]=4 1276 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [0,2,0,0,0,0|2,0,0]=4 1277 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [0,2,0,0,0,0|2,0,0]=4 1278 B9R1.132 CSc1cnn(c1C)C 62a_100012354625_200000210301 [0,2,0,0,0,0|2,0,0]=4 1279 B9R1.132 CSc1cnn(c1C)C 62a_200000210301_100012354625 [0,2,0,0,0,0|2,0,0]=4 1280 B9R1.132 CSc1csc(c1C)C 62a_100009820295_200000210301 [0,2,0,0,0,0|1,0,0]=3 1281 B9R1.132 CSc1csc(c1C)C 62a_200000210301_100009820295 [0,2,0,0,0,0|1,0,0]=3 1282 B9R1.132 CSc1n[nH]c(c1C)C 62a_100015309786_200000210301 [0,2,0,0,0,0|2,0,0]=4 1283 B9R1.132 CSc1n[nH]c(c1C)C 62a_200000210301_100015309786 [0,2,0,0,0,0|2,0,0]=4 1284 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [0,2,0,0,0,0|2,0,0]=4 1285 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [0,2,0,0,0,0|2,0,0]=4 1286 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_100015309786_200025704644 [0,2,0,0,0,0|2,0,0]=4 1287 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_200025704644_100015309786 [0,2,0,0,0,0|2,0,0]=4 1288 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_100012354625_200025704644 [0,2,0,0,0,0|2,0,0]=4 1289 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_200025704644_100012354625 [0,2,0,0,0,0|2,0,0]=4 1290 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [0,2,0,0,0,0|2,0,0]=4 1291 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [0,2,0,0,0,0|2,0,0]=4 1292 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [0,2,0,0,0,0|2,0,0]=4 1293 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [0,2,0,0,0,0|2,0,0]=4 1294 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_100009820295_200025704644 [0,2,0,0,0,0|1,0,0]=3 1295 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_200025704644_100009820295 [0,2,0,0,0,0|1,0,0]=3 1296 B9R1.132 Cn1c(cnc1CO)O 271570a_203496583355_100009817024 [0,2,0,0,0,0|2,0,0]=4 1297 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,2,0,0,0,0|1,0,0]=3 1298 B9R1.23 C=Cc1cc(n(n1)C)C 271570a_100011290941_100012001299 [0,2,0,0,0,0|2,0,0]=4 1299 B9R1.23 C=Cc1cn(c(n1)C)C 271570a_100011290941_100000684932 [0,2,0,0,0,0|2,0,0]=4 1300 B9R1.23 C=Cc1nc(c(s1)C)C 271570a_100011290941_100000765934 [0,2,0,0,0,0|0,0,0]=2 1301 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [0,2,0,0,0,0|1,0,0]=3 1302 B9R1.23 CNc1nc(c(s1)C)C 27a_100102657272_100000765934 [0,2,0,0,0,0|0,0,0]=2 1303 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,2,0,0,0,0|1,0,0]=3 1304 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,2,0,0,0,0|1,0,0]=3 1305 B9R1.23 CSc1cc(n(n1)C)C 62a_100012001299_200000210301 [0,2,0,0,0,0|2,0,0]=4 1306 B9R1.23 CSc1cc(n(n1)C)C 62a_200000210301_100012001299 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.23 CSc1cn(c(n1)C)C 62a_100000684932_200000210301 [0,2,0,0,0,0|2,0,0]=4 1308 B9R1.23 CSc1cn(c(n1)C)C 62a_200000210301_100000684932 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.23 CSc1nc(c(s1)C)C 62a_100000765934_200000210301 [0,2,0,0,0,0|0,0,0]=2 1310 B9R1.23 CSc1nc(c(s1)C)C 62a_200000210301_100000765934 [0,2,0,0,0,0|0,0,0]=2 1311 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_100012001299_200025704644 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_200025704644_100012001299 [0,2,0,0,0,0|2,0,0]=4 1313 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,2,0,0,0,0|1,0,0]=3 1314 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,2,0,0,0,0|1,0,0]=3 1315 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [0,2,0,0,0,0|2,0,0]=4 1316 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_100000684932_200025704644 [0,2,0,0,0,0|2,0,0]=4 1317 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_200025704644_100000684932 [0,2,0,0,0,0|2,0,0]=4 1318 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_100000765934_200025704644 [0,2,0,0,0,0|0,0,0]=2 1319 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_200025704644_100000765934 [0,2,0,0,0,0|0,0,0]=2 1320 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,2,0,0,0,0|2,0,0]=4 1321 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,2,0,0,0,0|2,0,0]=4 1322 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [0,2,0,0,0,0|2,0,0]=4