0 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,0,0,0,0,0|3,1,0]=4 4 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,0,0,0,0,0|3,1,0]=4 5 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,0,0,0,0,0|3,1,0]=4 6 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,0,0,0,0,0|0,1,1]=2 8 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [0,0,0,0,0,0|1,1,1]=3 11 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,0,0,0,0,0|3,1,0]=4 13 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|1,0,2]=4 14 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|2,1,0]=4 17 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|2,1,0]=4 18 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|0,1,1]=3 22 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|1,1,1]=4 23 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|1,1,1]=4 24 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [0,1,0,0,0,0|1,0,1]=3 28 B8R1.11 C=Cc1ncnn1C 271570a_100011290941_100000732653 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,0,0,0|2,1,0]=4 31 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,0,0,0|0,1,1]=3 32 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,0,0,0|2,1,0]=4 33 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [0,1,0,0,0,0|1,1,1]=4 34 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,1,0,0,0,0|2,1,0]=4 36 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,1,0,0,0,0|0,0,2]=3 45 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,1,0,0,0,0|0,0,2]=3 46 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [0,1,0,0,0,0|1,0,2]=4 47 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [0,1,0,0,0,0|1,0,2]=4 48 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,1,0,0,0,0|0,0,2]=3 57 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,1,0,0,0,0|0,0,2]=3 58 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,1,0,0,0,0|2,1,0]=4 61 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [0,1,0,0,0,0|1,0,2]=4 64 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [0,1,0,0,0,0|1,0,2]=4 65 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,0,0,0|2,1,0]=4 66 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,0,0,0|2,1,0]=4 67 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,0,0,0|2,1,0]=4 68 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,0,0,0|2,1,0]=4 69 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,1,0,0,0,0|0,1,1]=3 72 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,1,0,0,0,0|1,0,1]=3 73 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.18 Cn1nc(cc1O)N 271570a_203496583355_100116209741 [0,1,0,0,0,0|2,1,0]=4 76 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,1,0,0,0,0|0,1,1]=3 80 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|2,1,0]=4 84 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|2,1,0]=4 85 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|1,1,0]=3 86 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|1,1,0]=3 87 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|1,1,0]=3 88 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|1,1,0]=3 89 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|1,1,1]=4 90 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|1,1,1]=4 91 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|1,1,1]=4 92 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|0,1,2]=4 93 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|0,1,2]=4 94 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|0,1,2]=4 95 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|0,1,2]=4 96 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|0,1,2]=4 97 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|0,1,2]=4 98 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,1,0,0,0|2,1,0]=4 99 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,1,0,0,0|2,1,0]=4 100 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,1,0,0,0|2,1,0]=4 101 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,1,0,0,0|2,1,0]=4 102 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,1,0,0,0|2,1,0]=4 103 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,1,0,0,0|2,1,0]=4 104 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|1,1,1]=4 105 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|1,1,1]=4 106 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|1,1,1]=4 107 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,1,0,0,0|1,1,1]=4 108 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,1,0,0,0|1,1,1]=4 109 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,0,1,0,0,0|1,1,1]=4 110 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,0,1,0,0,0|1,1,1]=4 111 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,0,0|2,1,0]=4 112 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,0,0|2,1,0]=4 113 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,1,0,0,0|0,1,2]=4 114 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|0,1,2]=4 115 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,0,0,0,1|1,1,1]=4 116 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,1|2,1,0]=4 117 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,0,0,1|2,1,0]=4 118 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,0,0,0,0,1|1,1,1]=4 119 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,0,0,0,0,1|1,1,1]=4 120 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,0,0,0,0,1|2,1,0]=4 121 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,0,0,0,0,1|2,1,0]=4 122 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|0,1,2]=4 123 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,0,0,0,0,1|1,1,1]=4 124 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,0,0,0,1|2,1,0]=4 125 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,0,0,0,1|1,1,1]=4 126 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,0,0,0,0,1|1,1,1]=4 127 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [0,0,0,0,0,1|1,1,1]=4 128 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,0,0,0,0,1|2,1,0]=4 129 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [0,0,0,0,0,1|1,1,1]=4 130 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,0,0,0,1|2,1,0]=4 131 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,0,0,0,0,1|1,1,1]=4 132 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,0,0,0,0,1|2,1,0]=4 133 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,0,0,0,0,1|2,1,0]=4 134 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [0,0,0,0,0,1|2,1,0]=4 135 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,0,0,0,0,1|2,1,0]=4 136 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [0,0,0,0,0,1|2,1,0]=4 137 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|1,1,0]=4 138 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|1,1,0]=4 139 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|1,1,0]=4 140 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|1,0,1]=4 141 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|1,0,1]=4 142 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|1,0,1]=4 143 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|1,0,1]=4 144 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|1,0,1]=4 145 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|1,0,1]=4 146 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|1,0,1]=4 147 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 148 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|1,0,1]=4 149 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 150 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,1,0]=4 151 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|0,1,0]=3 152 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|0,1,0]=3 153 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|0,1,1]=4 154 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|0,1,1]=4 155 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|0,1,1]=4 156 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,1,1,0,0,0|1,1,0]=4 157 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,1,0,0,0|1,1,0]=4 158 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,1,0,0,0|1,1,0]=4 159 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,1,0,0,0|1,1,0]=4 160 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,1,0,0,0|1,1,0]=4 161 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|1,1,0]=4 162 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|1,1,0]=4 163 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|1,1,0]=4 164 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,1,0,0,0|0,1,0]=3 165 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,1,0,0,0|0,1,0]=3 166 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,1,0,0,0|0,1,0]=3 167 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,1,0,0,0|0,1,0]=3 168 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,1,0,0,0|0,1,0]=3 169 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,1,0,0,0|1,1,0]=4 170 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,1,0,0,0|1,1,0]=4 171 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,1,0,0,0|1,1,0]=4 172 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,1,0,0,0|1,1,0]=4 173 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,1,1,0,0,0|1,1,0]=4 174 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,1,1,0,0,0|1,1,0]=4 175 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,1,1,0,0,0|1,1,0]=4 176 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,1,1,0,0,0|1,1,0]=4 177 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|1,1,0]=4 178 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|1,1,0]=4 179 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|1,1,0]=4 180 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,1,0,0,0|1,1,0]=4 181 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|1,1,0]=4 182 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|1,1,0]=4 183 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,1,0,0,0|1,1,0]=4 184 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,1,0,0,0|1,1,0]=4 185 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,1,0,0,0|1,1,0]=4 186 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,1,0,0,0|1,1,0]=4 187 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,1,0,0,0,0|1,0,1]=4 188 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,1,0,0,0,0|2,0,0]=4 189 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,1,0,0,0,0|2,0,0]=4 190 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,1,0,0,0,0|2,0,0]=4 191 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,1,0,0,0,0|2,0,0]=4 192 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,1,0,0,0,0|2,0,0]=4 193 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,1,0,0,0,0|2,0,0]=4 194 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,1,0,0,0,0|2,0,0]=4 195 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,1,0,0,0,0|2,0,0]=4 196 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,1,0,0,0,0|2,0,0]=4 197 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,1,0,0,0,0|2,0,0]=4 198 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,1,0,0,0,0|2,0,0]=4 199 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,1,0,0,0,0|2,0,0]=4 200 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,1,0,0,0,0|0,0,2]=4 201 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,1,0,0,0,0|0,0,2]=4 202 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,1,0,0,0,0|2,0,0]=4 203 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,1,0,0,0,0|2,0,0]=4 204 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,1,0,0,0,0|2,0,0]=4 205 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,1,0,0,0,0|2,0,0]=4 206 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,1,0,0,0,0|2,0,0]=4 207 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,1,0,0,0,0|2,0,0]=4 208 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,1,0,0,0,0|2,0,0]=4 209 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,1,0,0,0,0|2,0,0]=4 210 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,1,0,0,0,0|2,0,0]=4 211 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,1,0,0,0,0|2,0,0]=4 212 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,1,0,0,0,0|2,0,0]=4 213 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,1,0,0,0,0|2,0,0]=4 214 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,1,0,0,0,0|0,0,2]=4 215 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,1,0,0,0,0|0,0,2]=4 216 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,1,0,0,0,0|0,0,2]=4 217 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,1,0,0,0,0|0,1,1]=4 218 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [1,1,0,0,0,0|1,0,1]=4 219 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [1,1,0,0,0,0|1,0,1]=4 220 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|2,0,0]=4 221 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,1,0,0,0,0|1,0,1]=4 222 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,1,0,0,0,0|2,0,0]=4 223 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [1,1,0,0,0,0|1,0,1]=4 224 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,1,0,0,0,0|2,0,0]=4 225 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [1,1,0,0,0,0|0,0,1]=3 226 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [1,1,0,0,0,0|1,0,1]=4 227 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,1,0,0,0,0|0,0,2]=4 228 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,1,0,0,0,1|1,1,0]=4 229 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [0,1,0,0,0,1|1,1,0]=4 230 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [0,1,0,0,0,1|1,1,0]=4 231 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,1,0,0,0,1|1,1,0]=4 232 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,1,0,0,0,1|1,1,0]=4 233 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [0,1,0,0,0,1|1,1,0]=4 234 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [0,1,0,0,0,1|1,1,0]=4 235 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,1,0,0,0,1|1,1,0]=4 236 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,1,0,0,0,1|1,1,0]=4 237 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [0,1,0,0,0,1|1,1,0]=4 238 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,1,0,0,0,1|1,1,0]=4 239 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,1,0,0,0,1|1,1,0]=4 240 B9R1.69 Cn1cc(ncc1=O)O 271570a_203496583355_100009843036 [0,1,0,0,0,1|0,1,1]=4 241 B9R1.69 Cn1ccc(=O)c(c1)O 271570a_203496583355_100010750718 [0,1,0,0,0,1|1,1,0]=4 242 B9R1.69 Cn1nc(ccc1=O)O 271570a_203496583355_100009820752 [0,1,0,0,0,1|1,1,0]=4 243 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [0,1,0,0,0,1|1,1,0]=4 244 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.15 CSc1ccn[nH]c1=O 62a_200000210301_100000087129 [0,1,0,0,0,1|1,1,0]=4 247 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [0,1,0,0,0,1|1,1,0]=4 248 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [0,1,0,0,0,1|2,0,0]=4 249 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [0,1,0,0,0,1|2,0,0]=4 250 B9R1.15 [13CH3]Sc1ccn[nH]c1=O 62a_200025704644_100000087129 [0,1,0,0,0,1|1,1,0]=4 251 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [0,1,0,0,0,1|1,1,0]=4 252 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [0,2,0,0,0,0|1,0,1]=4 253 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [0,2,0,0,0,0|0,0,2]=4 254 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [0,2,0,0,0,0|0,0,2]=4 255 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [0,2,0,0,0,0|0,0,2]=4 256 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [0,2,0,0,0,0|0,0,2]=4 257 B9R1.22 C=Cc1nc(cn1C)C 271570a_100011290941_100009816808 [0,2,0,0,0,0|1,0,1]=4 258 B9R1.22 CCn1nc([nH]c1=O)O 271570a_203496583355_100009830087 [0,2,0,0,0,0|1,1,0]=4 259 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [0,2,0,0,0,0|0,0,2]=4 260 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [0,2,0,0,0,0|0,0,2]=4 261 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [0,2,0,0,0,0|0,0,2]=4 262 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [0,2,0,0,0,0|0,0,2]=4 263 B9R1.22 Cn1cc(cc1C#N)O 271570a_203496583355_100009830613 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.33 C=C=Cc1nccn1C 271570a_100015277604_100000707724 [0,2,0,0,0,0|1,0,1]=4 265 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [0,2,0,0,0,0|1,0,1]=4 266 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [0,2,0,0,0,0|0,0,2]=4 267 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [0,2,0,0,0,0|0,0,2]=4 268 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [0,2,0,0,0,0|1,0,1]=4 271 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [0,2,0,0,0,0|1,0,1]=4 272 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [0,2,0,0,0,0|1,0,1]=4 273 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [0,2,0,0,0,0|1,0,1]=4 274 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [0,2,0,0,0,0|1,0,1]=4 275 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [0,2,0,0,0,0|1,0,1]=4 276 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [0,2,0,0,0,0|0,1,1]=4 277 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [0,2,0,0,0,0|0,1,1]=4 278 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [0,2,0,0,0,0|0,0,2]=4 279 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [0,2,0,0,0,0|0,0,2]=4 280 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [0,2,0,0,0,0|1,0,1]=4 282 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [0,2,0,0,0,0|0,1,1]=4 283 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [0,2,0,0,0,0|0,0,2]=4 284 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [0,2,0,0,0,0|0,0,2]=4 285 B9R1.33 Cn1ccnc1SCF 62a_100000707724_100015361967 [0,2,0,0,0,0|0,0,2]=4 286 B9R1.33 Cn1ccnc1SCF 62a_100015361967_100000707724 [0,2,0,0,0,0|0,0,2]=4 287 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,2,0,0,0,0|1,0,1]=4 288 B9R1.41 CC(C)n1ccnc1O 271570a_203496583355_100009820211 [0,2,0,0,0,0|0,1,1]=4 289 B9R1.132 C=Cc1cnc(n1C)C 271570a_100011290941_100000762843 [0,2,0,0,0,0|1,0,1]=4 290 B9R1.132 C=Cc1ncc(n1C)C 271570a_100011290941_100009816807 [0,2,0,0,0,0|1,0,1]=4 291 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [0,2,0,0,0,0|1,0,1]=4 292 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [0,2,0,0,0,0|1,0,1]=4 293 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [0,2,0,0,0,0|0,0,2]=4 294 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [0,2,0,0,0,0|0,0,2]=4 295 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [0,2,0,0,0,0|0,0,2]=4 296 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [0,2,0,0,0,0|0,0,2]=4 297 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [0,2,0,0,0,0|1,0,1]=4 298 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [0,2,0,0,0,0|1,0,1]=4 299 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [0,2,0,0,0,0|0,1,1]=4 300 B9R1.132 Cn1c(cnc1CO)O 271570a_203496583355_100009817024 [0,2,0,0,0,0|0,1,1]=4 301 B9R1.23 C=Cc1cn(c(n1)C)C 271570a_100011290941_100000684932 [0,2,0,0,0,0|1,0,1]=4 302 B9R1.23 C=Cc1cn(c(n1)N)C 271570a_100011290941_100025756272 [0,2,0,0,0,0|1,0,1]=4 303 B9R1.23 CSc1cn(c(n1)C)C 62a_100000684932_200000210301 [0,2,0,0,0,0|1,0,1]=4 304 B9R1.23 CSc1cn(c(n1)C)C 62a_200000210301_100000684932 [0,2,0,0,0,0|1,0,1]=4 305 B9R1.23 CSc1cn(c(n1)N)C 62a_100025756272_200000210301 [0,2,0,0,0,0|1,0,1]=4 306 B9R1.23 CSc1cn(c(n1)N)C 62a_200000210301_100025756272 [0,2,0,0,0,0|1,0,1]=4 307 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_100000684932_200025704644 [0,2,0,0,0,0|1,0,1]=4 308 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_200025704644_100000684932 [0,2,0,0,0,0|1,0,1]=4 309 B9R1.23 Cn1cc(nc1N)S[13CH3] 62a_100025756272_200025704644 [0,2,0,0,0,0|1,0,1]=4 310 B9R1.23 Cn1cc(nc1N)S[13CH3] 62a_200025704644_100025756272 [0,2,0,0,0,0|1,0,1]=4