0 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,0,0,0,0,0|1,0,1]=2 11 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|1,0,1]=3 14 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|1,0,2]=4 15 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|1,1,1]=4 18 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|1,0,1]=3 19 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|0,0,2]=3 20 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|2,0,1]=4 24 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.11 C=Cc1ncnn1C 271570a_100011290941_100000732653 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,0,0,0|1,0,1]=3 43 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,1,0,0,0,0|1,0,1]=3 46 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,1,0,0,0,0|1,1,0]=3 47 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,1,0,0,0,0|1,1,0]=3 48 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,1,0,0,0,0|1,1,0]=3 49 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,1,0,0,0,0|1,1,0]=3 50 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,1,0,0,0,0|2,1,0]=4 51 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,1,0,0,0,0|2,1,0]=4 52 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,1,0,0,0,0|2,1,0]=4 53 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,1,0,0,0,0|2,1,0]=4 54 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [0,1,0,0,0,0|2,1,0]=4 55 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [0,1,0,0,0,0|2,1,0]=4 56 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,1,0,0,0,0|2,1,0]=4 57 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,1,0,0,0,0|2,1,0]=4 58 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,1,0,0,0,0|1,1,0]=3 70 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,1,0,0,0,0|1,1,0]=3 71 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,1,0,0,0,0|2,1,0]=4 72 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,1,0,0,0,0|2,1,0]=4 73 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,1,0,0,0,0|2,1,0]=4 74 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,1,0,0,0,0|2,1,0]=4 75 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,1,0,0,0,0|2,1,0]=4 76 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,1,0,0,0,0|2,1,0]=4 77 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,1,0,0,0,0|1,1,0]=3 80 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [0,1,0,0,0,0|2,1,0]=4 81 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [0,1,0,0,0,0|2,1,0]=4 82 B8R1.11 N#Cc1ccsc1O 271570a_203496583355_100009817073 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [0,1,0,0,0,0|1,0,2]=4 84 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,1,0,0,0,0|1,0,2]=4 87 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,0,0,0|1,0,1]=3 89 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,0,0,0|1,0,1]=3 93 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,0,0,0|1,0,1]=3 95 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.18 Cn1nc(cc1O)N 271570a_203496583355_100116209741 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.18 Oc1cc(sc1Cl)Cl 271570a_203496583355_100010244177 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.50 Cc1nnn(c1O)C 271570a_203496583355_100016037793 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,0,1,0,0,0|1,0,2]=4 114 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,0,1,0,0,0|1,0,2]=4 115 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|2,0,1]=4 116 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|2,0,1]=4 117 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|1,0,1]=3 118 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|1,0,1]=3 119 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|1,0,1]=3 120 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|1,0,1]=3 121 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,1,0,0,0|2,0,1]=4 123 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,1,0,0,0|2,0,1]=4 124 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,1,0,0,0|2,0,1]=4 125 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,0,1,0,0,0|2,0,1]=4 126 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|2,0,0]=3 127 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|3,0,0]=4 128 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|1,0,0]=2 129 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|1,0,0]=2 130 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|1,0,0]=2 131 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|2,0,0]=3 132 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|2,0,0]=3 133 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|2,0,0]=3 134 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|1,0,2]=4 135 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 136 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 137 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|1,0,2]=4 138 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|2,0,1]=4 139 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 140 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 141 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 142 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 143 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,1,0,0,0|1,0,0]=2 145 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,1,0,0,0|1,0,0]=2 146 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,1,0,0,0|1,0,0]=2 147 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,1,0,0,0|1,0,0]=2 148 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,1,0,0,0|1,0,0]=2 149 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,1,0,0,0|1,0,0]=2 150 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,0,1,0,0,0|1,0,2]=4 151 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,0,1,0,0,0|1,0,2]=4 152 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,1,0,0,0|0,1,2]=4 153 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,1,0,0,0|2,0,1]=4 154 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|2,0,1]=4 155 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 156 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 157 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|2,0,1]=4 158 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|2,0,1]=4 159 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 160 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,1,0,0,0|2,0,1]=4 162 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 163 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 164 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,1,0,0,0|2,0,1]=4 166 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,1,0,0,0|2,0,1]=4 167 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,1,0,0,0|2,0,1]=4 168 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,1,0,0,0|2,0,1]=4 169 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,1,0,0,0|2,0,1]=4 171 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,1,0,0,0|2,0,1]=4 172 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,1,0,0,0|2,0,1]=4 173 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|3,0,0]=4 174 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|3,0,0]=4 175 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|3,0,0]=4 176 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,1,0,0,0|3,0,0]=4 177 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,1,0,0,0|3,0,0]=4 178 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,1,0,0,0|3,0,0]=4 179 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,1,0,0,0|2,0,0]=3 180 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,0,1,0,0,0|1,0,0]=2 181 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,0,1,0,0,0|1,0,0]=2 182 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,0,1,0,0,0|2,0,1]=4 185 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,1,0,0,0|1,0,2]=4 186 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,1,0,0,0|1,0,2]=4 187 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,1,0,0,0|2,0,1]=4 188 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,1,0,0,0|1,0,2]=4 192 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,1,0,0,0|1,0,2]=4 193 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,1,0,0,0|1,0,2]=4 195 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,1,0,0,0|1,0,2]=4 197 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,1,0,0,0|2,0,1]=4 199 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,1,0,0,0|2,0,1]=4 200 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,1,0,0,0|1,0,2]=4 201 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,1,0,0,0|1,0,2]=4 202 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,1,0,0,0|1,0,2]=4 203 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,1,0,0,0|2,0,1]=4 204 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,1,0,0,0|2,0,1]=4 205 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,1,0,0,0|1,0,2]=4 206 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,1,0,0,0|2,0,1]=4 207 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,1,0,0,0|2,0,1]=4 208 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 209 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,0,1,0,0,0|2,0,1]=4 210 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 211 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,1,0,0,0|2,0,1]=4 212 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,1,0,0,0|2,0,1]=4 213 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,1,0,0,0|1,0,2]=4 214 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,1,0,0,0|1,0,2]=4 215 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 221 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|2,0,1]=4 222 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,1|2,0,1]=4 223 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,0,0,0,1|1,0,2]=4 224 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,0,0,1|2,0,1]=4 225 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,1|2,0,1]=4 226 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,0,0,1|2,0,1]=4 227 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|2,0,1]=4 230 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,1|2,0,1]=4 231 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,0,0,0,0,1|1,0,2]=4 232 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,0,0,0,1|2,0,1]=4 233 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,0,0,0,1|2,0,1]=4 234 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,0,0,0,0,1|2,0,1]=4 238 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [0,0,0,0,0,1|2,0,1]=4 239 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,0,0,0,0,1|3,0,0]=4 242 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|1,0,1]=4 243 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|1,0,1]=4 244 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|1,0,1]=4 245 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,1,0,0,0|1,0,1]=4 246 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,1,0,0,0|1,0,1]=4 247 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,1,0,0,0|1,0,1]=4 248 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,1,0,0,0|1,0,1]=4 249 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,1,0,0,0|1,0,1]=4 250 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,1,0,0,0|1,0,1]=4 251 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|1,0,0]=3 252 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|1,0,0]=3 253 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|1,0,0]=3 254 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|1,0,0]=3 255 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|1,0,0]=3 256 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|1,0,0]=3 257 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|1,0,0]=3 258 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|1,0,0]=3 259 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|1,0,1]=4 260 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|1,0,1]=4 261 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,1,0,0,0|1,0,1]=4 262 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,1,0,0,0|1,0,1]=4 263 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,1,0,0,0|1,0,1]=4 264 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,1,0,0,0|1,0,1]=4 265 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|1,0,1]=4 267 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|1,0,1]=4 268 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|1,0,1]=4 269 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|1,0,1]=4 270 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,1,0,0,0|1,0,1]=4 271 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,1,0,0,0|1,0,1]=4 272 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 273 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|1,0,1]=4 274 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 275 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,1,0,0,0|1,0,1]=4 276 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,1,0,0,0|1,0,1]=4 277 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,1,0,0,0|1,0,1]=4 278 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,1,0,0,0|1,0,1]=4 279 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|1,0,1]=4 280 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|1,0,1]=4 281 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,0,0]=3 282 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,1,0,0,0|2,0,0]=4 283 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|0,0,0]=2 284 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|0,0,0]=2 285 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,1,0,0,0|1,0,1]=4 287 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|0,0,2]=4 288 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|0,0,2]=4 289 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|0,0,2]=4 290 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|0,0,2]=4 291 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|0,1,1]=4 292 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|0,1,1]=4 293 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|1,0,1]=4 294 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|1,0,1]=4 295 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|1,0,1]=4 296 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,1,0,0,0|1,0,1]=4 297 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,1,0,0,0|1,0,1]=4 298 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,1,0,0,0|0,0,2]=4 299 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,1,0,0,0|0,0,2]=4 300 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,1,0,0,0|0,0,2]=4 301 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,1,0,0,0|0,0,2]=4 302 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,1,0,0,0|2,0,0]=4 304 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,1,0,0,0|1,0,0]=3 307 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,1,0,0,0|1,0,0]=3 308 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,1,0,0,0|1,0,0]=3 309 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,1,0,0,0|1,0,0]=3 310 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,1,0,0,0|1,0,0]=3 311 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,1,0,0,0|1,0,0]=3 312 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,1,0,0,0|1,0,0]=3 313 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,1,0,0,0|1,0,0]=3 314 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,1,1,0,0,0|1,0,0]=3 315 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,1,1,0,0,0|1,0,0]=3 316 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,1,0,0,0|0,1,1]=4 317 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,1,0,0,0|0,1,1]=4 318 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,1,0,0,0|0,1,1]=4 319 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|2,0,0]=4 320 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,1,1,0,0,0|1,0,0]=3 322 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,1,0,0,0|1,0,1]=4 323 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,1,0,0,0|1,0,1]=4 324 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,1,0,0,0|1,0,1]=4 325 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,1,0,0,0|1,0,1]=4 326 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,1,0,0,0|1,0,1]=4 327 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,1,0,0,0|1,0,1]=4 328 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,1,0,0,0|1,0,1]=4 329 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,1,0,0,0|1,0,1]=4 330 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,1,0,0,0|1,0,1]=4 331 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,1,1,0,0,0|2,0,0]=4 332 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|2,0,0]=4 334 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,1,0,0,0|1,0,0]=3 335 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,1,0,0,0|1,0,0]=3 337 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,1,0,0,0|1,0,0]=3 338 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|1,1,0]=4 339 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|2,0,0]=4 340 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,1,0,0,0|1,0,0]=3 341 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,1,0,0,0|1,0,0]=3 342 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,1,0,0,0|1,0,0]=3 343 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,1,1,0,0,0|0,1,0]=3 344 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,1,1,0,0,0|0,1,0]=3 345 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,1,0,0,0|0,0,2]=4 346 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,1,0,0,0|0,0,2]=4 347 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,1,0,0,0|0,0,2]=4 348 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,1,0,0,0|0,0,2]=4 349 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,1,0,0,0|0,0,2]=4 350 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,1,0,0,0|0,0,2]=4 351 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,1,0,0,0|0,0,2]=4 352 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,1,0,0,0|0,0,2]=4 353 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,1,1,0,0,0|1,0,1]=4 354 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,1,1,0,0,0|1,0,1]=4 355 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,1,1,0,0,0|1,0,1]=4 356 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,1,1,0,0,0|1,0,1]=4 357 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,1,0,0,0|2,0,0]=4 358 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,1,1,0,0,0|1,0,0]=3 360 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,1,1,0,0,0|1,0,0]=3 361 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,1,1,0,0,0|1,0,0]=3 362 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,1,1,0,0,0|1,0,0]=3 363 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,1,0,0,0|2,0,0]=4 364 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,1,0,0,0|2,0,0]=4 365 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,1,0,0,0|2,0,0]=4 366 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,1,0,0,0|1,0,0]=3 368 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,1,0,0,0|1,0,0]=3 369 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,1,0,0,0|1,0,0]=3 370 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,1,1,0,0,0|1,0,0]=3 371 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,1,1,0,0,0|1,0,0]=3 372 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,1,1,0,0,0|1,0,0]=3 373 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,1,1,0,0,0|1,0,0]=3 374 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,1,1,0,0,0|1,0,0]=3 375 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,1,1,0,0,0|1,0,0]=3 376 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 377 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 378 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 379 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,1,0,0,0|1,0,1]=4 380 B7R0.7 C=CCN(C)CC=C 2230a_100000210471_200000210301 [0,1,1,0,0,0|2,0,0]=4 381 B7R0.7 C=CCN(C)CC=C 2230a_100000225617_100000210623 [0,1,1,0,0,0|2,0,0]=4 382 B7R0.7 C=CCN(C)CC=C 269982a_100000210471_200000210301 [0,1,1,0,0,0|2,0,0]=4 383 B7R0.7 C=CCN(C)CC=C 269982a_100000225617_100000210623 [0,1,1,0,0,0|2,0,0]=4 384 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,1,1,0,0,0|1,0,0]=3 385 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,1,1,0,0,0|1,0,0]=3 386 B7R0.7 C=CCN([13CH3])CC=C 2230a_100000210471_200025704644 [0,1,1,0,0,0|2,0,0]=4 387 B7R0.7 C=CCN([13CH3])CC=C 269982a_100000210471_200025704644 [0,1,1,0,0,0|2,0,0]=4 388 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|2,0,0]=4 389 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|2,0,0]=4 390 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|2,0,0]=4 391 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,1,0,0,0|1,0,0]=3 394 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,1,0,0,0|1,0,0]=3 395 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,1,0,0,0|1,0,0]=3 396 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,1,0,0,0|2,0,0]=4 398 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,1,0,0,0|1,0,0]=3 400 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,1,0,0,0|1,0,0]=3 401 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,1,0,0,0|1,0,0]=3 402 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,1,0,0,0|2,0,0]=4 403 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,1,0,0,0|1,0,0]=3 410 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,1,0,0,0|1,0,0]=3 411 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,1,0,0,0|1,0,1]=4 412 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,1,0,0,0|1,0,1]=4 413 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,1,0,0,0|1,0,1]=4 414 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,1,0,0,0|1,0,1]=4 415 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,1,0,0,0|1,0,1]=4 416 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,1,0,0,0|1,0,1]=4 417 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,1,0,0,0|2,0,0]=4 418 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,1,0,0,0|2,0,0]=4 419 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,1,0,0,0|2,0,0]=4 420 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,1,0,0,0|2,0,0]=4 421 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,1,0,0,0|2,0,0]=4 422 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,1,0,0,0|2,0,0]=4 423 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,1,0,0,0|2,0,0]=4 424 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,1,1,0,0,0|1,0,0]=3 425 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,1,1,0,0,0|1,0,0]=3 426 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,1,0,0,0|2,0,0]=4 427 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,1,0,0,0|1,0,0]=3 428 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,1,0,0,0|1,0,0]=3 429 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,1,1,0,0,0|1,0,0]=3 430 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,1,1,0,0,0|1,0,0]=3 431 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,1,1,0,0,0|1,0,0]=3 432 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,1,1,0,0,0|1,0,0]=3 433 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,1,0,0,0|1,0,1]=4 434 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,1,0,0,0|2,0,0]=4 435 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,1,0,0,0|1,0,1]=4 436 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,1,0,0,0|2,0,0]=4 437 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,1,0,0,0|2,0,0]=4 438 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,1,0,0,0|2,0,0]=4 440 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,1,1,0,0,0|1,1,0]=4 441 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,1,1,0,0,0|1,1,0]=4 442 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,1,1,0,0,0|2,0,0]=4 444 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,1,0,0,0,0|1,0,1]=4 445 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,1,0,0,0,0|2,0,0]=4 446 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,1,0,0,0,0|1,0,1]=4 447 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,1,0,0,0,0|1,0,1]=4 448 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,1,0,0,0,0|1,0,1]=4 449 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,1,0,0,0,0|1,0,1]=4 450 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,1,0,0,0,0|1,1,0]=4 451 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,1,0,0,0,0|1,1,0]=4 452 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,1,0,0,0,0|1,0,0]=3 453 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,1,0,0,0,0|1,0,0]=3 454 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,1,0,0,0,0|1,1,0]=4 455 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,1,0,0,0,0|1,1,0]=4 456 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,1,0,0,0,0|0,1,1]=4 457 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,1,0,0,0,0|0,1,1]=4 458 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,1,0,0,0,0|2,0,0]=4 459 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,1,0,0,0,0|2,0,0]=4 460 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,1,0,0,0,0|2,0,0]=4 461 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,1,0,0,0,0|2,0,0]=4 462 B7R1.1 FCN1CC=CC1 269982a_100015195280_100015361967 [1,1,0,0,0,0|1,0,1]=4 463 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,1,0,0,0,0|1,0,1]=4 464 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,1,0,0,0,0|1,0,1]=4 465 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,1,0,0,0,0|1,1,0]=4 466 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,1,0,0,0,0|1,1,0]=4 467 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,1,0,0,0,0|1,0,0]=3 468 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,1,0,0,0,0|1,0,0]=3 469 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,1,0,0,0,0|1,1,0]=4 470 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,1,0,0,0,0|1,1,0]=4 471 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,1,0,0,0,0|0,1,1]=4 472 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,1,0,0,0,0|0,1,1]=4 473 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,1,0,0,0,0|2,0,0]=4 474 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,1,0,0,0,0|2,0,0]=4 475 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,1,0,0,0,0|2,0,0]=4 476 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,1,0,0,0,0|2,0,0]=4 477 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,1,0,0,0,0|1,0,0]=3 478 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,1,0,0,0,0|2,0,0]=4 479 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,1,0,0,0,0|1,0,1]=4 480 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,1,0,0,0,0|1,0,0]=3 481 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [1,1,0,0,0,0|2,0,0]=4 482 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [1,1,0,0,0,0|2,0,0]=4 483 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,1,0,0,0,0|2,0,0]=4 484 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|2,0,0]=4 485 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,1,0,0,0,0|2,0,0]=4 486 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,1,0,0,0,0|2,0,0]=4 487 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,1,0,0,0,0|1,0,0]=3 488 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [1,1,0,0,0,0|2,0,0]=4 489 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,1,0,0,0,0|1,0,0]=3 490 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [1,1,0,0,0,0|2,0,0]=4 491 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [1,1,0,0,0,0|2,0,0]=4 492 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [1,1,0,0,0,0|2,0,0]=4 493 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [1,1,0,0,0,0|2,0,0]=4 494 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [1,1,0,0,0,0|1,0,1]=4 495 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.3 Cn1cccc(c1=O)O 271570a_203496583355_100000687173 [0,1,0,0,0,1|1,0,1]=4 503 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,1,0,0,0,1|1,0,1]=4 506 B9R1.69 Cn1ccc(=O)c(c1)O 271570a_203496583355_100010750718 [0,1,0,0,0,1|1,0,1]=4 507 B9R1.69 Cn1nc(ccc1=O)O 271570a_203496583355_100009820752 [0,1,0,0,0,1|1,0,1]=4 508 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [0,1,0,0,0,1|1,1,0]=4 511 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [0,1,0,0,0,1|1,1,0]=4 517 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.14 C=Cc1sccc1C=O 271570a_100011290941_100009816921 [0,2,0,0,0,0|1,0,1]=4 524 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [0,2,0,0,0,0|1,0,1]=4 529 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [0,2,0,0,0,0|1,0,1]=4 530 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [0,2,0,0,0,0|1,1,0]=4 531 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [0,2,0,0,0,0|1,1,0]=4 532 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [0,2,0,0,0,0|1,1,0]=4 533 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [0,2,0,0,0,0|1,1,0]=4 534 B9R1.14 CNc1sccc1C#N 27a_100102657272_100009817073 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [0,2,0,0,0,0|1,1,0]=4 536 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [0,2,0,0,0,0|1,1,0]=4 537 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [0,2,0,0,0,0|1,1,0]=4 538 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [0,2,0,0,0,0|1,1,0]=4 539 B9R1.14 CSc1sccc1C#N 62a_200000210301_100009817073 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [0,2,0,0,0,0|1,0,1]=4 546 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [0,2,0,0,0,0|1,1,0]=4 547 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [0,2,0,0,0,0|1,1,0]=4 548 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [0,2,0,0,0,0|1,1,0]=4 549 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [0,2,0,0,0,0|1,1,0]=4 550 B9R1.14 [13CH3]Sc1sccc1C#N 62a_200025704644_100009817073 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,2,0,0,0,0|1,0,0]=3 553 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.22 C=Cc1cc(nn1C)C 271570a_100011290941_100009818511 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.22 C=Cc1cc(nn1C)N 271570a_100011290941_100116209741 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.22 CCn1nc([nH]c1=O)O 271570a_203496583355_100009830087 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [0,2,0,0,0,0|1,0,1]=4 563 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,2,0,0,0,0|1,1,0]=4 564 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,2,0,0,0,0|1,1,0]=4 565 B9R1.22 CSc1cc(nn1C)N 62a_100116209741_200000210301 [0,2,0,0,0,0|1,1,0]=4 566 B9R1.22 CSc1cc(nn1C)N 62a_200000210301_100116209741 [0,2,0,0,0,0|1,1,0]=4 567 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,2,0,0,0,0|1,1,0]=4 568 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,2,0,0,0,0|1,1,0]=4 569 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,2,0,0,0,0|1,1,0]=4 572 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,2,0,0,0,0|1,1,0]=4 573 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [0,2,0,0,0,0|1,0,1]=4 576 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,2,0,0,0,0|1,1,0]=4 577 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,2,0,0,0,0|1,1,0]=4 578 B9R1.22 Cn1cc(cc1C#N)O 271570a_203496583355_100009830613 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_100116209741_200025704644 [0,2,0,0,0,0|1,1,0]=4 580 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_200025704644_100116209741 [0,2,0,0,0,0|1,1,0]=4 581 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.27 Cn1cnc(c1C=O)O 271570a_203496583355_200000040309 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.27 Cn1ncc(c1C#N)O 271570a_203496583355_100000238715 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.27 Cn1ncc(c1C=O)O 271570a_203496583355_100000763672 [0,2,0,0,0,0|1,0,0]=3 585 B9R1.27 Cn1ncc(c1CO)O 271570a_203496583355_100012039568 [0,2,0,0,0,0|1,0,1]=4 586 B9R1.33 C=C=Cc1ccnn1C 271570a_100015277604_100000688441 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.33 C=C=Cc1ccsc1C 271570a_100015277604_100000684487 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [0,2,0,0,0,0|1,0,1]=4 593 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [0,2,0,0,0,0|1,1,0]=4 594 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [0,2,0,0,0,0|1,1,0]=4 595 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [0,2,0,0,0,0|1,1,0]=4 596 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [0,2,0,0,0,0|1,1,0]=4 597 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,2,0,0,0,0|1,0,1]=4 620 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,2,0,0,0,0|1,0,1]=4 621 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,2,0,0,0,0|1,0,1]=4 622 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,2,0,0,0,0|1,1,0]=4 628 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,2,0,0,0,0|1,1,0]=4 629 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.33 Cc1ccsc1SCF 62a_100010247149_100015361967 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.33 Cc1ccsc1SCF 62a_100015361967_100010247149 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.33 Cc1sccc1SCF 62a_100000684487_100015361967 [0,2,0,0,0,0|1,1,0]=4 636 B9R1.33 Cc1sccc1SCF 62a_100015361967_100000684487 [0,2,0,0,0,0|1,1,0]=4 637 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,2,0,0,0,0|1,0,1]=4 640 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,2,0,0,0,0|1,1,0]=4 641 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,2,0,0,0,0|1,1,0]=4 642 B9R1.33 Cn1nccc1OCF 34a_100020632926_100015361967 [0,2,0,0,0,0|1,0,1]=4 643 B9R1.33 Cn1nccc1SCF 62a_100000688441_100015361967 [0,2,0,0,0,0|1,1,0]=4 644 B9R1.33 Cn1nccc1SCF 62a_100015361967_100000688441 [0,2,0,0,0,0|1,1,0]=4 645 B9R1.33 FCSc1sccc1Br 62a_100012361411_100015361967 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.33 FCSc1sccc1Br 62a_100015361967_100012361411 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,2,0,0,0,0|1,0,1]=4 657 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [0,2,0,0,0,0|1,0,1]=4 658 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,2,0,0,0,0|1,0,1]=4 659 B9R1.41 Oc1ccsc1C(F)F 271570a_203496583355_100000733619 [0,2,0,0,0,0|1,0,1]=4 660 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,2,0,0,0,0|1,0,1]=4 661 B9R1.132 C=Cc1cnn(c1C)C 271570a_100011290941_100000722751 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.132 C=Cc1cnn(c1F)C 271570a_100011290941_200011161937 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.132 C=Cc1csc(c1C)C 271570a_100011290941_100009820295 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.132 CCn1ncc(c1C)O 271570a_203496583355_100012002569 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.132 CSc1cnn(c1C)C 62a_100012354625_200000210301 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.132 CSc1cnn(c1C)C 62a_200000210301_100012354625 [0,2,0,0,0,0|2,0,0]=4 667 B9R1.132 CSc1cnn(c1F)C 62a_200000210301_200011161937 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.132 CSc1cnn(c1F)C 62a_200011161937_200000210301 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.132 CSc1cnn(c1N)C 62a_100020588448_200000210301 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.132 CSc1cnn(c1N)C 62a_200000210301_100020588448 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.132 CSc1csc(c1C)C 62a_100009820295_200000210301 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.132 CSc1csc(c1C)C 62a_200000210301_100009820295 [0,2,0,0,0,0|2,0,0]=4 673 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_100012354625_200025704644 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.132 Cc1c(cnn1C)S[13CH3] 62a_200025704644_100012354625 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_100009820295_200025704644 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_200025704644_100009820295 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.132 Cn1ncc(c1F)S[13CH3] 62a_200011161937_200025704644 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.132 Cn1ncc(c1F)S[13CH3] 62a_200025704644_200011161937 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.132 Cn1ncc(c1N)S[13CH3] 62a_100020588448_200025704644 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.132 Cn1ncc(c1N)S[13CH3] 62a_200025704644_100020588448 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.132 Cn1ncc(c1O)C#N 271570a_203496583355_100000702867 [0,2,0,0,0,0|1,0,1]=4 683 B9R1.132 Cn1ncc(c1O)CO 271570a_203496583355_100011063722 [0,2,0,0,0,0|1,0,1]=4 684 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.23 C=Cc1cc(n(n1)C)C 271570a_100011290941_100012001299 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.23 C=Cc1cc(n(n1)C)N 271570a_100011290941_100000734454 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,2,0,0,0,0|2,0,0]=4 688 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.23 CSc1cc(n(n1)C)C 62a_100012001299_200000210301 [0,2,0,0,0,0|2,0,0]=4 690 B9R1.23 CSc1cc(n(n1)C)C 62a_200000210301_100012001299 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.23 CSc1cc(n(n1)C)N 62a_100000734454_200000210301 [0,2,0,0,0,0|2,0,0]=4 692 B9R1.23 CSc1cc(n(n1)C)N 62a_200000210301_100000734454 [0,2,0,0,0,0|2,0,0]=4 693 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_100012001299_200025704644 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_200025704644_100012001299 [0,2,0,0,0,0|2,0,0]=4 695 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,2,0,0,0,0|2,0,0]=4 697 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,2,0,0,0,0|1,0,1]=4 698 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,2,0,0,0,0|1,0,1]=4 699 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_100000734454_200025704644 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_200025704644_100000734454 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [0,2,0,0,0,0|2,0,0]=4