0 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [0,0,0,0,0,0|2,0,1]=3 2 B11R2.106 Oc1cccc2c1[nH]nc2 271570a_203496583355_100009816125 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.106 Oc1cccc2c1occ2 271570a_203496583355_100011935138 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.106 Oc1cccc2c1scc2 271570a_203496583355_100000766737 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.106 Oc1cncc2c1[nH]cc2 271570a_203496583355_100000217057 [0,0,0,0,0,0|1,0,1]=2 7 B11R2.106 Oc1cncc2c1[nH]cn2 271570a_203496583355_100000759552 [0,0,0,0,0,0|2,0,1]=3 8 B11R2.106 Oc1cncc2c1[nH]nc2 271570a_203496583355_100009857261 [0,0,0,0,0,0|2,0,1]=3 9 B11R2.106 Oc1cncc2c1cc[nH]2 271570a_203496583355_100009840476 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [0,0,0,0,0,0|1,0,2]=3 11 B11R2.106 Oc1nccc2c1[nH]nc2 271570a_203496583355_100009852419 [0,0,0,0,0,0|2,0,2]=4 12 B11R2.106 Oc1nccc2c1scc2 271570a_203496583355_100000117209 [0,0,0,0,0,0|2,0,2]=4 13 B11R2.106 Oc1ncnc2c1[nH]cc2 271570a_203496583355_100000084117 [0,0,0,0,0,0|2,0,2]=4 14 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.82 Cc1c(ncc2c1[nH]cc2)O 271570a_203496583355_100010244392 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.82 Cc1ccc2cc[nH]c2c1O 271570a_203496583355_100010717004 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.221 Cc1ccc(c2c1[nH]cc2)O 271570a_203496583355_100009820812 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.221 Cc1ccc(c2c1cc[nH]2)O 271570a_203496583355_100010219157 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.221 Cc1cnc(c2c1[nH]cc2)O 271570a_203496583355_100010244391 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.221 Cc1ncc(c2c1cc[nH]2)O 271570a_203496583355_100010244396 [0,1,0,0,0,0|1,0,1]=3 24 B12R2.221 O=c1[nH]cc(c2c1cco2)O 271570a_203496583355_100010244693 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.221 O=c1[nH]cc(c2c1ccs2)O 271570a_203496583355_100000692125 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.221 Oc1ccc(c2c1[nH]cc2)F 271570a_203496583355_100010138378 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.221 Oc1ccc(c2c1cc[nH]2)F 271570a_203496583355_100010006601 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.221 Oc1ncc(c2c1nc[nH]2)F 271570a_203496583355_100009853726 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.246 Cc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009817142 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.246 Nc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009813507 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.246 O=c1[nH]c(nc2c1[nH]cn2)O 271570a_203496583355_100009812310 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.246 Oc1cc(c2[nH]ccc2c1)F 271570a_203496583355_100010138380 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.246 Oc1cc(cc2c1[nH]cc2)F 271570a_203496583355_100010138379 [0,1,0,0,0,0|2,0,1]=4 34 B12R2.315 C=Cc1cccc2c1[nH]cc2 271570a_100011290941_100009813418 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.315 C=Cc1cncc2c1[nH]cc2 271570a_100011290941_100000217057 [0,1,0,0,0,0|2,0,0]=3 36 B12R2.315 C=Cc1cncc2c1[nH]cn2 271570a_100011290941_100000759552 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.315 C=Cc1cncc2c1[nH]nc2 271570a_100011290941_100009857261 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.315 C=Cc1nccc2c1[nH]cc2 271570a_100011290941_100009816714 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.315 CSc1cccc2c1[nH]cc2 62a_200000210301_100009813418 [0,1,0,0,0,0|2,1,0]=4 40 B12R2.315 CSc1cncc2c1[nH]cc2 62a_200000210301_100000217057 [0,1,0,0,0,0|1,1,0]=3 41 B12R2.315 CSc1cncc2c1[nH]cn2 62a_200000210301_100000759552 [0,1,0,0,0,0|2,1,0]=4 42 B12R2.315 CSc1cncc2c1[nH]nc2 62a_200000210301_100009857261 [0,1,0,0,0,0|2,1,0]=4 43 B12R2.315 CSc1nccc2c1[nH]cc2 62a_200000210301_100000060748 [0,1,0,0,0,0|1,1,1]=4 44 B12R2.315 [13CH3]Sc1cccc2c1[nH]cc2 62a_200025704644_100009813418 [0,1,0,0,0,0|2,1,0]=4 45 B12R2.315 [13CH3]Sc1cncc2c1[nH]cc2 62a_200025704644_100000217057 [0,1,0,0,0,0|1,1,0]=3 46 B12R2.315 [13CH3]Sc1cncc2c1[nH]cn2 62a_200025704644_100000759552 [0,1,0,0,0,0|2,1,0]=4 47 B12R2.315 [13CH3]Sc1cncc2c1[nH]nc2 62a_200025704644_100009857261 [0,1,0,0,0,0|2,1,0]=4 48 B12R2.315 [13CH3]Sc1nccc2c1[nH]cc2 62a_200025704644_100000060748 [0,1,0,0,0,0|1,1,1]=4 49 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [0,0,1,0,0,0|3,0,0]=4 50 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [0,0,1,0,0,0|3,0,0]=4 52 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [0,0,1,0,0,0|2,0,1]=4 55 B10R1.2 C=Cc1ccnc(c1N)C 271570a_100011290941_100009885578 [0,0,1,0,0,0|2,0,1]=4 56 B10R1.2 C=Cc1ccnc(c1N)N 271570a_100011290941_100000124095 [0,0,1,0,0,0|2,0,1]=4 57 B10R1.2 C=Cc1cn[nH]c(=O)c1N 271570a_100011290941_100000126857 [0,0,1,0,0,0|0,0,0]=1 58 B10R1.2 C=Cc1cncc(c1C)Br 271570a_100011290941_100010109657 [0,0,1,0,0,0|3,0,0]=4 59 B10R1.2 C=Cc1cncc(c1C)C 271570a_100011290941_100009864703 [0,0,1,0,0,0|3,0,0]=4 60 B10R1.2 C=Cc1cncc(c1C)F 271570a_100011290941_100009881546 [0,0,1,0,0,0|3,0,0]=4 61 B10R1.2 C=Cc1cncc(c1C)N 271570a_100011290941_100011998293 [0,0,1,0,0,0|3,0,0]=4 62 B10R1.2 C=Cc1cncc(c1N)Br 271570a_100011290941_100011290786 [0,0,1,0,0,0|2,0,0]=3 63 B10R1.2 C=Cc1cncc(c1N)C 271570a_100011290941_100009818025 [0,0,1,0,0,0|2,0,0]=3 64 B10R1.2 C=Cc1cncc(c1N)Cl 271570a_100011290941_100000684942 [0,0,1,0,0,0|2,0,0]=3 65 B10R1.2 C=Cc1cncc(c1N)F 271570a_100011290941_100009880649 [0,0,1,0,0,0|2,0,0]=3 66 B10R1.2 C=Cc1cncc(c1N)N 271570a_100011290941_100000694774 [0,0,1,0,0,0|2,0,0]=3 67 B10R1.2 C=Cc1cnnc(c1C)N 271570a_100011290941_200011012967 [0,0,1,0,0,0|2,0,1]=4 68 B10R1.2 COc1cn[nH]c(=O)c1O 271570a_203496583355_100000020519 [0,0,1,0,0,0|2,0,1]=4 69 B10R1.2 CSc1cn[nH]c(=O)c1N 62a_200000210301_100000126857 [0,0,1,0,0,0|1,0,1]=3 70 B10R1.2 [13CH3]Sc1cn[nH]c(=O)c1N 62a_200025704644_100000126857 [0,0,1,0,0,0|1,0,1]=3 71 B10R1.4 C=C=Cc1ccc[nH]c1=O 271570a_100015277604_100000050042 [0,0,1,0,0,0|2,0,1]=4 72 B10R1.4 C=C=Cc1ccn[nH]c1=O 271570a_100015277604_100000087129 [0,0,1,0,0,0|1,0,1]=3 73 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [0,0,1,0,0,0|2,0,1]=4 74 B10R1.4 CC=Cc1ccn[nH]c1=O 271570a_100016259895_100000087129 [0,0,1,0,0,0|1,0,1]=3 75 B10R1.4 CCNc1ccn[nH]c1=O 27a_100015525214_100000087129 [0,0,1,0,0,0|0,0,2]=3 76 B10R1.4 CCSc1ccn[nH]c1=O 62a_100000210202_100000087129 [0,0,1,0,0,0|1,0,2]=4 77 B10R1.4 O=c1[nH]nccc1SCF 62a_100015361967_100000087129 [0,0,1,0,0,0|2,0,1]=4 78 B10R1.5 C=C=Cc1ccoc1C=O 271570a_100015277604_100000756499 [0,0,1,0,0,0|3,0,0]=4 79 B10R1.5 C=C=Cc1ccsc1C=O 271570a_100015277604_100000766043 [0,0,1,0,0,0|3,0,0]=4 80 B10R1.5 CC=Cc1ccoc1C=O 271570a_100016259895_100000756499 [0,0,1,0,0,0|3,0,0]=4 81 B10R1.5 CC=Cc1ccsc1C=O 271570a_100016259895_100000766043 [0,0,1,0,0,0|3,0,0]=4 82 B10R1.10 C=C=Cc1cc[nH]c(=O)c1 271570a_100015277604_100009816521 [0,0,1,0,0,0|2,0,1]=4 83 B10R1.10 C=C=Cc1cn[nH]c(=O)c1 271570a_100015277604_100010197405 [0,0,1,0,0,0|1,0,1]=3 84 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [0,0,1,0,0,0|2,0,0]=3 85 B10R1.10 CC=Cc1cc[nH]c(=O)n1 271570a_100016259895_200000134032 [0,0,1,0,0,0|3,0,0]=4 86 B10R1.10 CC=Cc1cn[nH]c(=O)c1 271570a_100016259895_100010197405 [0,0,1,0,0,0|1,0,0]=2 87 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [0,0,1,0,0,0|3,0,0]=4 88 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [0,0,1,0,0,0|3,0,0]=4 89 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [0,0,1,0,0,0|3,0,0]=4 90 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [0,0,1,0,0,0|3,0,0]=4 91 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [0,0,1,0,0,0|3,0,0]=4 92 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [0,0,1,0,0,0|2,0,1]=4 93 B10R1.10 CC=Cc1cnnc(c1)N 271570a_100016259895_100000130277 [0,0,1,0,0,0|2,0,1]=4 94 B10R1.10 CCSc1cn[nH]c(=O)c1 62a_100000210202_100010197405 [0,0,1,0,0,0|2,0,1]=4 95 B10R1.10 O=c1cc(cn[nH]1)SCF 62a_100015361967_100010197405 [0,0,1,0,0,0|2,0,1]=4 96 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,0,1,0,0,0|1,0,2]=4 97 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,0,1,0,0,0|2,0,1]=4 98 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,0,1,0,0,0|2,0,1]=4 99 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,0,1,0,0,0|2,0,1]=4 100 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,0,1,0,0,0|2,0,1]=4 101 B10R1.21 CCNN=Cc1cc[nH]c1 4a_100000756455_100000760201 [0,0,1,0,0,0|1,0,1]=3 102 B10R1.21 CCNN=Cc1cc[nH]n1 4a_100000756455_100000738523 [0,0,1,0,0,0|2,0,1]=4 103 B10R1.21 CCNN=Cc1ccoc1 4a_100000756455_100011215517 [0,0,1,0,0,0|2,0,1]=4 104 B10R1.21 CCNN=Cc1ccsc1 4a_100000756455_100000188534 [0,0,1,0,0,0|2,0,1]=4 105 B10R1.21 CCNN=Cc1cn[nH]c1 4a_100000756455_100016992096 [0,0,1,0,0,0|2,0,1]=4 106 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,0,1,0,0,0|3,0,0]=4 107 B10R1.39 C=Cc1cn[nH]c1C(=O)N 271570a_100011290941_200009820792 [0,0,1,0,0,0|2,0,0]=3 108 B10R1.39 C=Cc1cscc1C(=O)N 271570a_100011290941_100009817205 [0,0,1,0,0,0|3,0,0]=4 109 B10R1.39 CSc1cn[nH]c1C(=O)N 62a_200000210301_200009820792 [0,0,1,0,0,0|3,0,0]=4 110 B10R1.39 CSc1cn[nH]c1C(=O)N 62a_200009820792_200000210301 [0,0,1,0,0,0|3,0,0]=4 111 B10R1.39 [13CH3]Sc1cn[nH]c1C(=O)N 62a_200009820792_200025704644 [0,0,1,0,0,0|3,0,0]=4 112 B10R1.39 [13CH3]Sc1cn[nH]c1C(=O)N 62a_200025704644_200009820792 [0,0,1,0,0,0|3,0,0]=4 113 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,0,1,0,0,0|3,0,0]=4 114 B10R1.245 C=Cc1c(cn[nH]c1=O)N 271570a_100011290941_100000687681 [0,0,1,0,0,0|2,0,0]=3 115 B10R1.245 C=Cc1c(cn[nH]c1=O)O 271570a_100011290941_100000116976 [0,0,1,0,0,0|2,0,0]=3 116 B10R1.245 CSc1c(cn[nH]c1=O)N 62a_200000210301_100000687681 [0,0,1,0,0,0|2,0,1]=4 117 B10R1.245 CSc1c(cn[nH]c1=O)O 62a_200000210301_100000116976 [0,0,1,0,0,0|2,0,1]=4 118 B10R1.245 [13CH3]Sc1c(cn[nH]c1=O)N 62a_200025704644_100000687681 [0,0,1,0,0,0|2,0,1]=4 119 B10R1.245 [13CH3]Sc1c(cn[nH]c1=O)O 62a_200025704644_100000116976 [0,0,1,0,0,0|2,0,1]=4 120 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,0,0,0,0,1|2,0,1]=4 121 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [0,0,0,0,0,1|2,0,1]=4 122 B12R2.1081 Oc1cncc2c1ccnc2 271570a_203496583355_100010134378 [0,0,0,0,0,1|2,0,1]=4 123 B12R2.1081 Oc1cncc2c1nccn2 271570a_203496583355_200010209543 [0,0,0,0,0,1|1,0,2]=4 124 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [1,0,1,0,0,0|1,0,0]=3 125 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [1,0,1,0,0,0|2,0,0]=4 126 B9R1.2 C=Cc1cn[nH]c(=O)c1 271570a_100011290941_100010197405 [1,0,1,0,0,0|0,0,0]=2 127 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [1,0,1,0,0,0|2,0,0]=4 128 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,1,0,0,0|2,0,0]=4 129 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,0,1,0,0,0|2,0,0]=4 130 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [1,0,1,0,0,0|2,0,0]=4 131 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,0,1,0,0,0|2,0,0]=4 132 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,0,1,0,0,0|1,0,1]=4 133 B9R1.2 C=Cc1cnnc(c1)N 271570a_100011290941_100000130277 [1,0,1,0,0,0|1,0,1]=4 134 B9R1.2 CSc1cn[nH]c(=O)c1 62a_200000210301_100010197405 [1,0,1,0,0,0|1,0,1]=4 135 B9R1.2 [13CH3]Sc1cn[nH]c(=O)c1 62a_200025704644_100010197405 [1,0,1,0,0,0|1,0,1]=4 136 B9R1.3 Nc1c(cn[nH]c1=O)O 271570a_203496583355_100000126857 [1,0,1,0,0,0|1,0,0]=3 137 B9R1.3 Nc1cn[nH]c(=O)c1O 271570a_203496583355_100000687681 [1,0,1,0,0,0|2,0,0]=4 138 B9R1.3 O=c1[nH]ncc(c1O)O 271570a_203496583355_100000116976 [1,0,1,0,0,0|2,0,0]=4 139 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [1,0,1,0,0,0|1,0,0]=3 140 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,0,1,0,0,0|2,0,0]=4 141 B9R1.15 C=Cc1ccn[nH]c1=O 271570a_100011290941_100000087129 [1,0,1,0,0,0|0,0,0]=2 142 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [1,0,1,0,0,0|2,0,0]=4 143 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [1,0,1,0,0,0|2,0,0]=4 144 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [1,0,1,0,0,0|2,0,0]=4 145 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [1,0,1,0,0,0|2,0,0]=4 146 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [1,0,1,0,0,0|1,0,1]=4 147 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [1,0,1,0,0,0|1,0,1]=4 148 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [1,0,1,0,0,0|2,0,0]=4 149 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,0,1,0,0,0|2,0,0]=4 150 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [1,0,1,0,0,0|2,0,0]=4 151 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [1,0,1,0,0,0|2,0,0]=4 152 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,0,1,0,0,0|1,0,0]=3 153 B9R1.15 C=Cc1cncnc1N 271570a_100011290941_100011996079 [1,0,1,0,0,0|2,0,0]=4 154 B9R1.15 C=Cc1cnncc1N 271570a_100011290941_100009829405 [1,0,1,0,0,0|0,0,1]=3 155 B9R1.15 C=Cc1ncc[nH]c1=O 271570a_100011290941_100000763361 [1,0,1,0,0,0|2,0,0]=4 156 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [1,0,1,0,0,0|0,0,1]=3 157 B9R1.15 CSc1ccn[nH]c1=O 62a_200000210301_100000087129 [1,0,1,0,0,0|1,0,1]=4 158 B9R1.15 [13CH3]Sc1ccn[nH]c1=O 62a_200025704644_100000087129 [1,0,1,0,0,0|1,0,1]=4 159 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,1,0,0,0|2,0,0]=4 160 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,0,1,0,0,0|1,0,1]=4 161 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [1,0,1,0,0,0|2,0,0]=4 162 B9R1.14 C=Cc1ccsc1C=O 271570a_100011290941_100000766043 [1,0,1,0,0,0|2,0,0]=4 163 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.13 C=C=Cc1cn[nH]c(=O)c1N 271570a_100015277604_100000126857 [0,1,1,0,0,0|0,0,0]=2 165 B11R1.13 C=C=Cc1cncc(c1N)Br 271570a_100015277604_100011290786 [0,1,1,0,0,0|2,0,0]=4 166 B11R1.13 C=C=Cc1cncc(c1N)C 271570a_100015277604_100009818025 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.13 C=C=Cc1cncc(c1N)Cl 271570a_100015277604_100000684942 [0,1,1,0,0,0|2,0,0]=4 168 B11R1.13 C=C=Cc1cncc(c1N)F 271570a_100015277604_100009880649 [0,1,1,0,0,0|2,0,0]=4 169 B11R1.13 C=C=Cc1cncc(c1N)N 271570a_100015277604_100000694774 [0,1,1,0,0,0|2,0,0]=4 170 B11R1.13 CC=Cc1cn[nH]c(=O)c1N 271570a_100016259895_100000126857 [0,1,1,0,0,0|0,0,0]=2 171 B11R1.13 CC=Cc1cncc(c1N)Br 271570a_100016259895_100011290786 [0,1,1,0,0,0|2,0,0]=4 172 B11R1.13 CC=Cc1cncc(c1N)C 271570a_100016259895_100009818025 [0,1,1,0,0,0|2,0,0]=4 173 B11R1.13 CC=Cc1cncc(c1N)Cl 271570a_100016259895_100000684942 [0,1,1,0,0,0|2,0,0]=4 174 B11R1.13 CC=Cc1cncc(c1N)F 271570a_100016259895_100009880649 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.13 CC=Cc1cncc(c1N)N 271570a_100016259895_100000694774 [0,1,1,0,0,0|2,0,0]=4 176 B11R1.13 CCSc1cn[nH]c(=O)c1N 62a_100000210202_100000126857 [0,1,1,0,0,0|0,0,2]=4 177 B11R1.13 Nc1c(cn[nH]c1=O)SCF 62a_100015361967_100000126857 [0,1,1,0,0,0|1,0,1]=4 178 B11R1.159 C=C(C)c1cn[nH]c(=O)c1N 271570a_100000694244_100000126857 [0,1,1,0,0,0|0,0,0]=2 179 B11R1.159 C=C(C)c1cncc(c1N)Br 271570a_100000694244_100011290786 [0,1,1,0,0,0|2,0,0]=4 180 B11R1.159 C=C(C)c1cncc(c1N)C 271570a_100000694244_100009818025 [0,1,1,0,0,0|2,0,0]=4 181 B11R1.159 C=C(C)c1cncc(c1N)Cl 271570a_100000694244_100000684942 [0,1,1,0,0,0|2,0,0]=4 182 B11R1.159 C=C(C)c1cncc(c1N)F 271570a_100000694244_100009880649 [0,1,1,0,0,0|2,0,0]=4 183 B11R1.159 C=C(C)c1cncc(c1N)N 271570a_100000694244_100000694774 [0,1,1,0,0,0|2,0,0]=4 184 B11R1.267 C=Cc1cccc(c1N)C=O 271570a_100011290941_100010144990 [0,1,1,0,0,0|2,0,0]=4 185 B11R1.267 C=Cc1cncc(c1C)C=O 271570a_100011290941_100010214934 [0,1,1,0,0,0|2,0,0]=4 186 B11R1.267 C=Cc1cncc(c1N)CO 271570a_100011290941_200010988789 [0,1,1,0,0,0|1,0,1]=4 187 B11R1.17 C#CCNc1ccn[nH]c1=O 27a_100000212058_100000087129 [0,1,1,0,0,0|0,0,2]=4 188 B11R1.17 C=CCNc1ccn[nH]c1=O 27a_100020586998_100000087129 [0,1,1,0,0,0|0,0,0]=2 189 B11R1.17 C=CCNc1ccncc1Br 27a_100020586998_100000726257 [0,1,1,0,0,0|2,0,0]=4 190 B11R1.17 C=CCNc1ccncc1C 27a_100020586998_100000765111 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.17 C=CCNc1ccncc1F 27a_100020586998_100000035921 [0,1,1,0,0,0|2,0,0]=4 192 B11R1.17 C=CCSc1ccn[nH]c1=O 62a_100000210623_100000087129 [0,1,1,0,0,0|1,0,0]=3 193 B11R1.17 O=CCSc1ccn[nH]c1=O 62a_200015260668_100000087129 [0,1,1,0,0,0|1,0,1]=4 194 B11R1.17 O=c1[nH]nccc1NCCO 27a_100000210304_100000087129 [0,1,1,0,0,0|0,0,2]=4 195 B11R1.86 CC(=Cc1ccn[nH]c1=O)C 271570a_100102525489_100000087129 [0,1,1,0,0,0|1,0,1]=4 196 B11R1.86 CC(C)Nc1ccn[nH]c1=O 27a_100138425928_100000087129 [0,1,1,0,0,0|0,0,2]=4 197 B11R1.182 C=C=Cc1cc(n[nH]c1=O)C 271570a_100015277604_100009819039 [0,1,1,0,0,0|1,0,1]=4 198 B11R1.182 CC=Cc1cc(n[nH]c1=O)C 271570a_100016259895_100009819039 [0,1,1,0,0,0|1,0,1]=4 199 B11R1.182 CCNc1cc(n[nH]c1=O)C 27a_100015525214_100009819039 [0,1,1,0,0,0|0,0,2]=4 200 B11R1.605 C=C=Cc1c(cn[nH]c1=O)N 271570a_100015277604_100000687681 [0,1,1,0,0,0|1,0,1]=4 201 B11R1.605 C=C=Cc1c(cn[nH]c1=O)O 271570a_100015277604_100000116976 [0,1,1,0,0,0|1,0,1]=4 202 B11R1.605 CC=Cc1c(cn[nH]c1=O)N 271570a_100016259895_100000687681 [0,1,1,0,0,0|1,0,1]=4 203 B11R1.605 CC=Cc1c(cn[nH]c1=O)O 271570a_100016259895_100000116976 [0,1,1,0,0,0|1,0,1]=4 204 B11R1.24 C=CCSc1cn[nH]c(=O)c1 62a_100000210623_100010197405 [0,1,1,0,0,0|1,0,1]=4 205 B11R1.24 O=CCSc1cn[nH]c(=O)c1 62a_200015260668_100010197405 [0,1,1,0,0,0|1,0,1]=4 206 B11R1.34 CC=Cc1cc([nH]c(=O)c1)C 271570a_100016259895_100009861981 [0,1,1,0,0,0|2,0,0]=4 207 B11R1.157 CC(=Cc1cc[nH]c(=O)c1)C 271570a_100102525489_100009816521 [0,1,1,0,0,0|2,0,0]=4 208 B11R1.157 CC(=Cc1cn[nH]c(=O)c1)C 271570a_100102525489_100010197405 [0,1,1,0,0,0|1,0,0]=3 209 B11R1.189 CC=Cc1cncc(c1)C=O 271570a_100016259895_100000687066 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.192 C=C=Cc1cnn(c(=O)c1)C 271570a_100015277604_200010986246 [0,1,1,0,0,0|1,0,1]=4 211 B11R1.192 CC=Cc1ccn(c(=O)c1)C 271570a_100016259895_100009820031 [0,1,1,0,0,0|2,0,0]=4 212 B11R1.192 CC=Cc1cnn(c(=O)c1)C 271570a_100016259895_200010986246 [0,1,1,0,0,0|1,0,0]=3 213 B11R1.29 CC=NNC(=O)c1cc[nH]n1 4a_100011273208_200000210099 [0,1,1,0,0,0|1,0,1]=4 214 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [0,1,1,0,0,0|0,0,0]=2 215 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [0,1,1,0,0,0|1,0,0]=3 216 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [0,1,1,0,0,0|1,0,0]=3 217 B11R1.29 CC=NNC(=O)c1ccoc1 4a_100000233958_200000210099 [0,1,1,0,0,0|2,0,0]=4 218 B11R1.29 CC=NNC(=O)c1ccsc1 4a_100000193922_200000210099 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.29 CC=NNC(=O)c1cnco1 4a_100000081316_200000210099 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.29 CC=NNC(=O)c1cncs1 4a_200000241815_200000210099 [0,1,1,0,0,0|2,0,0]=4 221 B11R1.29 CC=NNC(=O)c1cocn1 4a_100000084333_200000210099 [0,1,1,0,0,0|1,0,1]=4 222 B11R1.29 CC=NNC(=O)c1cscn1 4a_100011794543_200000210099 [0,1,1,0,0,0|1,0,1]=4 223 B11R1.29 CC=NNC(=O)c1nccs1 4a_100000077877_200000210099 [0,1,1,0,0,0|1,0,1]=4 224 B11R1.29 CC=NNC(=O)c1nnc[nH]1 4a_100011787719_200000210099 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.4 CCCNN=Cc1cc[nH]c1 4a_100000740057_100000760201 [0,1,1,0,0,0|1,0,1]=4 226 B11R1.4 OCCNN=Cc1cc[nH]c1 4a_100000210001_100000760201 [0,1,1,0,0,0|0,0,2]=4 227 B11R1.27 CCNN=Cc1c[nH]c(c1)Br 4a_100000756455_100009882863 [0,1,1,0,0,0|1,0,1]=4 228 B11R1.27 CCNN=Cc1ccn(c1)C 4a_100000756455_100000765639 [0,1,1,0,0,0|1,0,1]=4 229 B11R1.172 CC(=O)NN=Cc1cc[nH]c1 4a_100000189765_100000760201 [0,1,1,0,0,0|0,0,0]=2 230 B11R1.172 CC(=O)NN=Cc1cc[nH]n1 4a_100000189765_100000738523 [0,1,1,0,0,0|1,0,0]=3 231 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,1,1,0,0,0|2,0,0]=4 232 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,1,1,0,0,0|2,0,0]=4 233 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,1,1,0,0,0|2,0,0]=4 234 B11R1.172 CC(=O)NN=Cc1ccoc1 4a_100000189765_100011215517 [0,1,1,0,0,0|1,0,0]=3 235 B11R1.172 CC(=O)NN=Cc1ccsc1 4a_100000189765_100000188534 [0,1,1,0,0,0|1,0,0]=3 236 B11R1.172 CC(=O)NN=Cc1cn[nH]c1 4a_100000189765_100016992096 [0,1,1,0,0,0|1,0,0]=3 237 B11R1.172 CC(=O)NN=Cc1cnc[nH]1 4a_100000189765_100000742939 [0,1,1,0,0,0|1,0,1]=4 238 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,1,1,0,0,0|1,0,1]=4 239 B11R1.172 CC(=O)NN=Cc1cncs1 4a_100000189765_100000749870 [0,1,1,0,0,0|1,0,1]=4 240 B11R1.172 CC(=O)NN=Cc1cocn1 4a_100000189765_100000050382 [0,1,1,0,0,0|2,0,0]=4 241 B11R1.172 CC(=O)NN=Cc1cscn1 4a_100000189765_100000743575 [0,1,1,0,0,0|2,0,0]=4 242 B11R1.172 CC(C)NN=Cc1cc[nH]c1 4a_100000741168_100000760201 [0,1,1,0,0,0|1,0,1]=4 243 B11R1.178 C=C(C)c1cn[nH]c1C(=O)N 271570a_100000694244_200009820792 [0,1,1,0,0,0|2,0,0]=4 244 B11R1.471 C=Cc1cnn(c1C(=O)N)C 271570a_100011290941_100010776205 [0,1,1,0,0,0|2,0,0]=4 245 B11R1.156 C=C(C)c1c(cn[nH]c1=O)N 271570a_100000694244_100000687681 [0,1,1,0,0,0|2,0,0]=4 246 B11R1.156 C=C(C)c1c(cn[nH]c1=O)O 271570a_100000694244_100000116976 [0,1,1,0,0,0|2,0,0]=4 247 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,1,0,0,0,0|1,0,1]=4 248 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,1,0,0,0,0|1,0,0]=3 249 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,1,0,0,0,0|2,0,0]=4 250 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,1,0,0,0,0|2,0,0]=4 251 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,1,0,0,0,0|2,0,0]=4 252 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,1,0,0,0,0|2,0,0]=4 253 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [1,1,0,0,0,0|1,0,0]=3 254 B11R2.36 Oc1cc2[nH]ncc2cn1 271570a_203496583355_100009872621 [1,1,0,0,0,0|2,0,0]=4 255 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [1,1,0,0,0,0|1,0,1]=4 256 B11R2.36 Oc1cc2sccc2cn1 271570a_203496583355_200016184645 [1,1,0,0,0,0|2,0,0]=4 257 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,1,0,0,0,0|2,0,0]=4 258 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,1,0,0,0,0|2,0,0]=4 259 B13R2.162 O=c1[nH]ccc2c1cc(cn2)O 271570a_203496583355_100010134370 [0,1,0,0,0,1|2,0,0]=4 260 B13R2.162 O=c1[nH]ncc2c1cc(cc2)O 271570a_203496583355_100015864262 [0,1,0,0,0,1|1,0,0]=3 261 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [0,1,0,0,0,1|2,0,0]=4 262 B13R2.371 O=c1[nH]cc(c2c1cncc2)O 271570a_203496583355_100010090797 [0,1,0,0,0,1|1,0,1]=4 263 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [0,1,0,0,0,1|1,0,0]=3 264 B13R2.371 O=c1[nH]nc(c2c1cccn2)O 271570a_203496583355_200021304518 [0,1,0,0,0,1|1,0,0]=3 265 B13R2.371 O=c1[nH]nc(c2c1nccc2)O 271570a_203496583355_100021647086 [0,1,0,0,0,1|0,0,1]=3 266 B13R2.5179 O=c1[nH]ncc2c1ncc(c2)O 271570a_203496583355_100010284064 [0,1,0,0,0,1|0,0,1]=3 267 B13R2.84 C=Cc1ncc2cc[nH]c2c1C 271570a_100011290941_100010244392 [0,2,0,0,0,0|2,0,0]=4 268 B13R2.84 COc1ncc2cc[nH]c2c1O 271570a_203496583355_100010168355 [0,2,0,0,0,0|1,0,1]=4 269 B13R2.84 CSc1ncc2cc[nH]c2c1C 62a_200000210301_100010244392 [0,2,0,0,0,0|2,0,0]=4 270 B13R2.84 Cc1c(ncc2c1[nH]cc2)S[13CH3] 62a_200025704644_100010244392 [0,2,0,0,0,0|2,0,0]=4 271 B13R2.121 CSc1c(ncc2c1[nH]cc2)Cl 62a_200000210301_100010138646 [0,2,0,0,0,0|1,1,0]=4 272 B13R2.121 [13CH3]Sc1c(ncc2c1[nH]cc2)Cl 62a_200025704644_100010138646 [0,2,0,0,0,0|1,1,0]=4 273 B13R2.4899 Cn1c(nc2cc[nH]c2c1=O)O 271570a_203496583355_100150720343 [0,2,0,0,0,0|2,0,0]=4 274 B13R2.9 CSc1c[nH]c2c1nc[nH]c2=O 62a_200000210301_200010089858 [0,2,0,0,0,0|2,0,0]=4 275 B13R2.9 [13CH3]Sc1c[nH]c2c1nc[nH]c2=O 62a_200025704644_200010089858 [0,2,0,0,0,0|2,0,0]=4 276 B13R2.4825 Cc1nn2c(=O)[nH]ncc2c1O 271570a_203496583355_100010191276 [0,2,0,0,0,0|1,0,1]=4 277 B13R2.611 C=Cc1cnc(c2c1[nH]cc2)C 271570a_100011290941_100010244396 [0,2,0,0,0,0|2,0,0]=4 278 B13R2.611 C=Cc1ncc(c2c1cc[nH]2)C 271570a_100011290941_100010244391 [0,2,0,0,0,0|2,0,0]=4 279 B13R2.611 COc1ncc(c2c1cc[nH]2)O 271570a_203496583355_100010272034 [0,2,0,0,0,0|1,0,1]=4 280 B13R2.611 CSc1cnc(c2c1[nH]cc2)C 62a_200000210301_100010244396 [0,2,0,0,0,0|1,1,0]=4 281 B13R2.611 CSc1ncc(c2c1cc[nH]2)C 62a_200000210301_100010244391 [0,2,0,0,0,0|2,0,0]=4 282 B13R2.611 Cc1cnc(c2c1[nH]cc2)S[13CH3] 62a_200025704644_100010244391 [0,2,0,0,0,0|2,0,0]=4 283 B13R2.611 Cc1ncc(c2c1cc[nH]2)S[13CH3] 62a_200025704644_100010244396 [0,2,0,0,0,0|1,1,0]=4 284 B13R2.292 C=C=Cc1cncc2c1[nH]cc2 271570a_100015277604_100000217057 [0,2,0,0,0,0|2,0,0]=4 285 B13R2.292 CC=Cc1cncc2c1[nH]cc2 271570a_100016259895_100000217057 [0,2,0,0,0,0|2,0,0]=4 286 B13R2.292 CCSc1cncc2c1[nH]cc2 62a_100000210202_100000217057 [0,2,0,0,0,0|1,1,0]=4 287 B13R2.292 FCSc1cncc2c1[nH]cc2 62a_100015361967_100000217057 [0,2,0,0,0,0|1,1,0]=4 288 B13R2.5569 C=C(C)c1cncc2c1[nH]cc2 271570a_100000694244_100000217057 [0,2,0,0,0,0|2,0,0]=4 289 B13R2.5569 CC(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200000210301 [0,2,0,0,0,0|2,0,0]=4 290 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200025704644 [0,2,0,0,0,0|2,0,0]=4 291 B9R0.18 C=CC=CC(=O)NCC=C 1626a_100020586998_100016291481 [0,0,2,0,0,0|2,0,0]=4 292 B9R1.132 C=Cc1n[nH]c(c1C)C 271570a_100011290941_100015309786 [0,0,1,0,1,0|2,0,0]=4 293 B9R1.7 CC=Cc1cc([nH]n1)C 271570a_100016259895_100015199547 [0,0,1,0,1,0|2,0,0]=4 294 B9R1.7 CC=Cc1cc([nH]n1)N 271570a_100016259895_100009822546 [0,0,1,0,1,0|2,0,0]=4 295 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,0,1,0,0,1|2,0,0]=4 296 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,0,1,0,0,1|1,0,1]=4 297 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,0,1,0,0,1|1,0,1]=4 298 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [0,0,1,0,0,1|2,0,0]=4 299 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,0,1,0,0,1|2,0,0]=4 300 B11R1.53 C=Cc1nccnc1C(=O)N 271570a_100011290941_100000094861 [0,0,1,0,0,1|1,0,1]=4 301 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,0,1,0,0,1|2,0,0]=4 302 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,0,1,0,0,1|2,0,0]=4 303 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,0,1,0,0,1|1,0,1]=4 304 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,1,0,0,0|1,0,0]=4 305 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,1,0,0,0|1,0,0]=4 306 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [2,0,1,0,0,0|0,0,1]=4 307 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [2,0,1,0,0,0|1,0,0]=4 308 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [2,0,1,0,0,0|1,0,0]=4 309 B10R1.8 C=Cc1cc([nH]c(=O)c1)C 271570a_100011290941_100009861981 [1,1,1,0,0,0|1,0,0]=4 310 B10R1.30 C=Cc1cc(=O)[nH]cc1F 271570a_100011290941_100009817642 [1,1,1,0,0,0|1,0,0]=4 311 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [1,1,1,0,0,0|1,0,0]=4 312 B10R1.113 C=C(C)c1cn[nH]c(=O)c1 271570a_100000694244_100010197405 [1,1,1,0,0,0|0,0,0]=3 313 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [1,1,1,0,0,0|1,0,0]=4 314 B10R1.176 C=Cc1ccn(c(=O)c1)C 271570a_100011290941_100009820031 [1,1,1,0,0,0|1,0,0]=4 315 B10R1.176 C=Cc1cnn(c(=O)c1)C 271570a_100011290941_200010986246 [1,1,1,0,0,0|0,0,0]=3 316 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [1,1,1,0,0,0|1,0,0]=4 317 B10R1.20 C=Cc1cnccc1CN 271570a_100011290941_100020640021 [1,1,1,0,0,0|1,0,0]=4 318 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [1,1,1,0,0,0|1,0,0]=4 319 B10R1.20 C=Cc1cnccc1NN 271570a_100011290941_100013404636 [1,1,1,0,0,0|1,0,0]=4 320 B10R1.25 C=Cc1cnc(cc1N)C 271570a_100011290941_100009817891 [1,1,1,0,0,0|1,0,0]=4 321 B10R1.25 C=Cc1cnc(cc1N)N 271570a_100011290941_200009857908 [1,1,1,0,0,0|1,0,0]=4 322 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,1,0,0,0|1,0,0]=4 323 B10R1.61 C=C(C)c1ccn[nH]c1=O 271570a_100000694244_100000087129 [1,1,1,0,0,0|0,0,0]=3 324 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,1,1,0,0,0|1,0,0]=4 325 B10R1.61 C=C(C)c1cnncc1N 271570a_100000694244_100009829405 [1,1,1,0,0,0|0,0,1]=4 326 B10R1.61 CN(C)c1ccn[nH]c1=O 27a_100102631434_100000087129 [1,1,1,0,0,0|0,0,1]=4 327 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,1,1,0,0,1|1,0,0]=4 328 B12R1.30 CC=NNC(=O)c1ccccn1 4a_100000184044_200000210099 [0,1,1,0,0,1|0,0,1]=4 329 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [0,1,1,0,0,1|0,0,1]=4 330 B12R1.30 CC=NNC(=O)c1ccncc1 4a_100000189768_200000210099 [0,1,1,0,0,1|1,0,0]=4 331 B12R1.30 CC=NNC(=O)c1ccncn1 4a_100000084330_200000210099 [0,1,1,0,0,1|0,0,1]=4 332 B12R1.30 CC=NNC(=O)c1cnccn1 4a_100000189795_200000210099 [0,1,1,0,0,1|0,0,1]=4 333 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,1,1,0,0,1|1,0,0]=4 334 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,1,1,0,0,1|1,0,0]=4 335 B12R1.252 CC(=O)NN=Cc1cccnc1 4a_100000189765_100000209961 [0,1,1,0,0,1|0,0,1]=4 336 B12R1.252 CC(=O)NN=Cc1ccncc1 4a_100000189765_100000186114 [0,1,1,0,0,1|0,0,1]=4 337 B12R1.252 CC(=O)NN=Cc1ccncn1 4a_100000189765_100011744739 [0,1,1,0,0,1|0,0,1]=4 338 B12R1.252 CC(=O)NN=Cc1ccnnc1 4a_100000189765_100011934578 [0,1,1,0,0,1|0,0,1]=4 339 B12R1.252 CC(=O)NN=Cc1cnccn1 4a_100000189765_100000749867 [0,1,1,0,0,1|0,0,1]=4 340 B12R1.252 CC(=O)NN=Cc1cncnc1 4a_100000189765_100000749868 [0,1,1,0,0,1|0,0,1]=4 341 B12R1.25 C=CCSc1cn[nH]c(=O)c1N 62a_100000210623_100000126857 [0,2,1,0,0,0|0,0,0]=3 342 B12R1.25 Nc1c(cn[nH]c1=O)SCC=O 62a_200015260668_100000126857 [0,2,1,0,0,0|0,0,1]=4 343 B12R1.224 CC(=Cc1cn[nH]c(=O)c1N)C 271570a_100102525489_100000126857 [0,2,1,0,0,0|0,0,0]=3 344 B12R1.125 C=C(C)CNc1ccn[nH]c1=O 27a_100000765925_100000087129 [0,2,1,0,0,0|0,0,0]=3 345 B12R1.125 C=C(C)CSc1ccn[nH]c1=O 62a_100000748629_100000087129 [0,2,1,0,0,0|1,0,0]=4 346 B12R1.125 C=C(F)CSc1ccn[nH]c1=O 62a_100000042424_100000087129 [0,2,1,0,0,0|1,0,0]=4 347 B12R1.371 C=CC(C)Sc1ccn[nH]c1=O 62a_100011215867_100000087129 [0,2,1,0,0,0|1,0,0]=4 348 B12R1.374 C=CCNc1cc(n[nH]c1=O)C 27a_100020586998_100009819039 [0,2,1,0,0,0|0,0,0]=3 349 B12R1.374 C=CCSc1cc(n[nH]c1=O)C 62a_100000210623_100009819039 [0,2,1,0,0,0|1,0,0]=4 350 B12R1.374 C=CCSc1cc(n[nH]c1=O)C 62a_100009819039_100000210623 [0,2,1,0,0,0|1,0,0]=4 351 B12R1.1631 C=CCSc1c(cn[nH]c1=O)N 62a_100000210623_100000687681 [0,2,1,0,0,0|1,0,0]=4 352 B12R1.1631 C=CCSc1c(cn[nH]c1=O)O 62a_100000210623_100000116976 [0,2,1,0,0,0|1,0,0]=4 353 B12R1.225 CC(=C(C)c1cn[nH]c(=O)c1)C 271570a_200000049429_100010197405 [0,2,1,0,0,0|1,0,0]=4 354 B12R1.226 CC(C)C=Cc1cn[nH]c(=O)c1 271570a_100016257149_100010197405 [0,2,1,0,0,0|1,0,0]=4 355 B12R1.226 CC(O)C=Cc1cn[nH]c(=O)c1 271570a_200011019289_100010197405 [0,2,1,0,0,0|1,0,0]=4 356 B12R1.226 NC(=O)CSc1cn[nH]c(=O)c1 62a_100000747473_100010197405 [0,2,1,0,0,0|0,0,1]=4 357 B12R1.19 CC(=Cc1cnn(c(=O)c1)C)C 271570a_100102525489_200010986246 [0,2,1,0,0,0|1,0,0]=4 358 B12R1.29 CC=NNC(=O)c1cc(c[nH]1)Br 4a_100000704317_200000210099 [0,2,1,0,0,0|0,0,0]=3 359 B12R1.29 CC=NNC(=O)c1cc(cs1)C 4a_100000143654_200000210099 [0,2,1,0,0,0|1,0,0]=4 360 B12R1.29 CC=NNC(=O)c1cc(n[nH]1)C 4a_100000689639_200000210099 [0,2,1,0,0,0|1,0,0]=4 361 B12R1.29 CC=NNC(=O)c1ccc(o1)Br 4a_100000186364_200000210099 [0,2,1,0,0,0|1,0,0]=4 362 B12R1.29 CC=NNC(=O)c1ccc(o1)C 4a_100000189940_200000210099 [0,2,1,0,0,0|1,0,0]=4 363 B12R1.29 CC=NNC(=O)c1ccc(s1)Br 4a_100000180196_200000210099 [0,2,1,0,0,0|1,0,0]=4 364 B12R1.29 CC=NNC(=O)c1ccc(s1)C 4a_100000189777_200000210099 [0,2,1,0,0,0|1,0,0]=4 365 B12R1.29 CC=NNC(=O)c1ccc(s1)Cl 4a_100000189877_200000210099 [0,2,1,0,0,0|1,0,0]=4 366 B12R1.35 CCC=NNC(=O)c1ccc[nH]1 4a_100000018271_100000210100 [0,2,1,0,0,0|0,0,0]=3 367 B12R1.35 CCC=NNC(=O)c1ccco1 4a_100000185077_100000210100 [0,2,1,0,0,0|1,0,0]=4 368 B12R1.35 CCC=NNC(=O)c1cccs1 4a_100000184746_100000210100 [0,2,1,0,0,0|1,0,0]=4 369 B12R1.54 CC(=O)NNC(=O)c1ccc[nH]1 22a_100000018271_100000070787 [0,2,1,0,0,0|0,0,1]=4 370 B12R1.460 CC=NNC(=O)c1cccn1C 4a_100000189942_200000210099 [0,2,1,0,0,0|0,0,0]=3 371 B12R1.460 CC=NNC(=O)c1cncn1C 4a_100011219485_200000210099 [0,2,1,0,0,0|1,0,0]=4 372 B12R1.460 CC=NNC(=O)c1nccn1C 4a_100000117223_200000210099 [0,2,1,0,0,0|1,0,0]=4 373 B12R1.460 CC=NNC(=O)c1sccc1C 4a_100000189776_200000210099 [0,2,1,0,0,0|1,0,0]=4 374 B12R1.460 CC=NNC(=O)c1sccc1Cl 4a_100012021866_200000210099 [0,2,1,0,0,0|1,0,0]=4 375 B12R1.477 CCC(=O)NN=Cc1cc[nH]c1 4a_100000183195_100000760201 [0,2,1,0,0,0|0,0,0]=3 376 B12R1.477 CCC(=O)NN=Cc1cc[nH]n1 4a_100000183195_100000738523 [0,2,1,0,0,0|1,0,0]=4 377 B12R1.477 CCC(=O)NN=Cc1ccoc1 4a_100000183195_100011215517 [0,2,1,0,0,0|1,0,0]=4 378 B12R1.477 CCC(=O)NN=Cc1ccsc1 4a_100000183195_100000188534 [0,2,1,0,0,0|1,0,0]=4 379 B12R1.477 CCC(=O)NN=Cc1cn[nH]c1 4a_100000183195_100016992096 [0,2,1,0,0,0|1,0,0]=4 380 B12R1.105 CC(=O)NN=Cc1c[nH]c(c1)Br 4a_100000189765_100009882863 [0,2,1,0,0,0|0,0,0]=3 381 B12R1.105 CC(=O)NN=Cc1c[nH]c(n1)C 4a_100000189765_100011219055 [0,2,1,0,0,0|1,0,0]=4 382 B12R1.105 CC(=O)NN=Cc1ccn(c1)C 4a_100000189765_100000765639 [0,2,1,0,0,0|0,0,0]=3 383 B12R1.105 CC(=O)NN=Cc1ccn(n1)C 4a_100000189765_100000750880 [0,2,1,0,0,0|1,0,0]=4 384 B12R1.105 CC(=O)NN=Cc1cn(cn1)C 4a_100000189765_100000684808 [0,2,1,0,0,0|1,0,0]=4 385 B12R1.105 CC(=O)NN=Cc1cnn(c1)C 4a_100000189765_100000206001 [0,2,1,0,0,0|1,0,0]=4 386 B12R1.105 CC(=O)NN=Cc1csc(c1)Br 4a_100000189765_100000737087 [0,2,1,0,0,0|1,0,0]=4 387 B12R1.105 CC(=O)NN=Cc1csc(c1)C 4a_100000189765_100011998532 [0,2,1,0,0,0|1,0,0]=4 388 B12R1.105 CC(=O)NN=Cc1csc(c1)Cl 4a_100000189765_100009844934 [0,2,1,0,0,0|1,0,0]=4 389 B12R1.130 CC(=O)NN=Cc1c[nH]nc1C 4a_100000189765_100000737037 [0,2,1,0,0,0|1,0,0]=4 390 B12R1.130 CC(=O)NN=Cc1ccsc1Br 4a_100000189765_100009816921 [0,2,1,0,0,0|1,0,0]=4 391 B12R1.130 CC(=O)NN=Cc1ccsc1Cl 4a_100000189765_100000089901 [0,2,1,0,0,0|1,0,0]=4 392 B12R1.130 CC(=O)NN=Cc1cscc1Br 4a_100000189765_100000685484 [0,2,1,0,0,0|1,0,0]=4 393 B12R1.130 CC(=O)NN=Cc1n[nH]cc1Cl 4a_100000189765_100000040271 [0,2,1,0,0,0|1,0,0]=4 394 B12R1.130 CC(=O)NN=Cc1nc[nH]c1Br 4a_100000189765_100015192532 [0,2,1,0,0,0|1,0,0]=4 395 B12R1.130 CC(=O)NN=Cc1nc[nH]c1C 4a_100000189765_100000032982 [0,2,1,0,0,0|1,0,0]=4 396 B12R2.1 C=Cc1c[nH]c2c1cncc2 271570a_100011290941_100011934843 [1,2,0,0,0,0|1,0,0]=4 397 B12R2.1 CSc1c[nH]c2c1cncc2 62a_200000210301_100000753697 [1,2,0,0,0,0|1,0,0]=4 398 B12R2.1 [13CH3]Sc1c[nH]c2c1cncc2 62a_200025704644_100000753697 [1,2,0,0,0,0|1,0,0]=4 399 B12R2.132 Cn1ccc2c1cc(nc2)O 271570a_203496583355_100020639908 [1,2,0,0,0,0|1,0,0]=4 400 B12R2.44 C=Cc1cc2[nH]ccc2cn1 271570a_100011290941_100000089685 [1,2,0,0,0,0|1,0,0]=4 401 B12R2.44 CSc1cc2[nH]ccc2cn1 62a_200000210301_100000089685 [1,2,0,0,0,0|1,0,0]=4 402 B12R2.44 [13CH3]Sc1cc2[nH]ccc2cn1 62a_200025704644_100000089685 [1,2,0,0,0,0|1,0,0]=4 403 B14R2.142 C=Cc1ccc2cn[nH]c(=O)c2c1 271570a_100011290941_100015864262 [0,2,0,0,0,1|1,0,0]=4 404 B14R2.142 CSc1ccc2cn[nH]c(=O)c2c1 62a_200000210301_100015864262 [0,2,0,0,0,1|1,0,0]=4 405 B14R2.142 [13CH3]Sc1ccc2cn[nH]c(=O)c2c1 62a_200025704644_100015864262 [0,2,0,0,0,1|1,0,0]=4 406 B14R2.1131 C=Cc1n[nH]c(=O)c2c1cccc2 271570a_100011290941_100010235092 [0,2,0,0,0,1|1,0,0]=4 407 B14R2.1131 C=Cc1n[nH]c(=O)c2c1cccn2 271570a_100011290941_100021647086 [0,2,0,0,0,1|0,0,1]=4 408 B14R2.1131 C=Cc1n[nH]c(=O)c2c1nccc2 271570a_100011290941_200021304518 [0,2,0,0,0,1|1,0,0]=4 409 B14R2.1131 CNc1n[nH]c(=O)c2c1cccn2 27a_100102657272_100021647086 [0,2,0,0,0,1|0,0,1]=4 410 B14R2.1131 CNc1n[nH]c(=O)c2c1nccc2 27a_100102657272_200021304518 [0,2,0,0,0,1|1,0,0]=4 411 B14R2.1131 CSc1n[nH]c(=O)c2c1cccc2 62a_200000210301_100010235092 [0,2,0,0,0,1|1,0,0]=4 412 B14R2.1131 CSc1n[nH]c(=O)c2c1cccn2 62a_200000210301_100021647086 [0,2,0,0,0,1|0,0,1]=4 413 B14R2.1131 CSc1n[nH]c(=O)c2c1nccc2 62a_200000210301_200021304518 [0,2,0,0,0,1|1,0,0]=4 414 B14R2.1131 [13CH3]Sc1n[nH]c(=O)c2c1cccc2 62a_200025704644_100010235092 [0,2,0,0,0,1|1,0,0]=4 415 B14R2.1131 [13CH3]Sc1n[nH]c(=O)c2c1cccn2 62a_200025704644_100021647086 [0,2,0,0,0,1|0,0,1]=4 416 B14R2.1131 [13CH3]Sc1n[nH]c(=O)c2c1nccc2 62a_200025704644_200021304518 [0,2,0,0,0,1|1,0,0]=4 417 B14R2.1801 C=Cc1cnc2c(=O)[nH]ncc2c1 271570a_100011290941_100010284064 [0,2,0,0,0,1|0,0,1]=4 418 B14R2.1801 CSc1cnc2c(=O)[nH]ncc2c1 62a_200000210301_100010284064 [0,2,0,0,0,1|0,0,1]=4 419 B14R2.1801 [13CH3]Sc1cnc2c(=O)[nH]ncc2c1 62a_200025704644_100010284064 [0,2,0,0,0,1|0,0,1]=4 420 B14R2.5746 Cn1cc(c2ccn(c2c1=O)C)O 271570a_203496583355_202515421073 [0,3,0,0,0,0|1,0,0]=4 421 B14R2.892 O=CCSc1cncc2c1[nH]cc2 62a_200015260668_100000217057 [0,3,0,0,0,0|1,0,0]=4 422 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [1,0,1,0,1,0|1,0,0]=4 423 B8R1.1 C=Cc1cc([nH]n1)N 271570a_100011290941_100009822546 [1,0,1,0,1,0|1,0,0]=4 424 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [0,0,1,0,1,1|1,0,0]=4 425 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [0,0,1,0,1,1|1,0,0]=4