0 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 Oc1cccc2c1[nH]nn2 271570a_203496583355_100009820029 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.106 Oc1cccc2c1scn2 271570a_203496583355_100010246326 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.106 Oc1cncc2c1[nH]cn2 271570a_203496583355_100000759552 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.106 Oc1nc[nH]c-2nccc12 271570a_203496583355_100015350423 [0,0,0,0,0,0|1,0,1]=2 7 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [0,0,0,0,0,0|2,0,1]=3 8 B11R2.106 Oc1nccc2c1[nH]nc2 271570a_203496583355_100009852419 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [0,0,0,0,0,0|2,0,2]=4 10 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.106 Oc1nccc2c1nc[nH]2 271570a_203496583355_100009820035 [0,0,0,0,0,0|1,0,3]=4 13 B11R2.106 Oc1nccc2c1scc2 271570a_203496583355_100000117209 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.106 Oc1nccn2c1ccn2 271570a_203496583355_100009846796 [0,0,0,0,0,0|3,0,1]=4 15 B11R2.106 Oc1nccn2c1ncn2 271570a_203496583355_100000094309 [0,0,0,0,0,0|2,0,2]=4 16 B11R2.106 Oc1ncnc2c1[nH]cc2 271570a_203496583355_100000084117 [0,0,0,0,0,0|1,0,2]=3 17 B11R2.106 Oc1ncnc2c1cco2 271570a_203496583355_100000094286 [0,0,0,0,0,0|2,0,2]=4 18 B11R2.106 Oc1ncnc2c1ccs2 271570a_203496583355_100000183654 [0,0,0,0,0,0|2,0,2]=4 19 B11R2.106 Oc1ncnc2c1ncs2 271570a_203496583355_100009860286 [0,0,0,0,0,0|1,0,3]=4 20 B11R2.106 Oc1ncnc2c1scc2 271570a_203496583355_100000234879 [0,0,0,0,0,0|2,0,2]=4 21 B12R2.82 Cc1c(cnc2c1[nH]cn2)O 271570a_203496583355_100010140963 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.82 O=c1c(c[nH]c2c1scc2)O 271570a_203496583355_100012569241 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.202 Nc1ncnc2c1[nH]c(n2)O 271570a_203496583355_100009817290 [0,1,0,0,0,0|1,0,1]=3 24 B12R2.203 Cn1ccc2c1c(ncn2)O 271570a_203496583355_100009847513 [0,1,0,0,0,0|1,0,2]=4 25 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.203 Cn1cnc2c1c(ncc2)O 271570a_203496583355_200010979149 [0,1,0,0,0,0|1,0,1]=3 27 B12R2.203 Cn1cnc2c1c(ncn2)O 271570a_203496583355_100000078800 [0,1,0,0,0,0|0,0,2]=3 28 B12R2.203 O=c1nc[nH]c2c1c(cs2)O 271570a_203496583355_200010749469 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.246 Cc1cc(c2[nH]cnc2c1)O 271570a_203496583355_100010107307 [0,1,0,0,0,0|2,0,1]=4 30 B12R2.246 Nc1nc(c2[nH]ccc2n1)O 271570a_203496583355_100000093568 [0,1,0,0,0,0|1,0,2]=4 31 B12R2.246 O=c1[nH]c(nc2c1[nH]cn2)O 271570a_203496583355_100009812310 [0,1,0,0,0,0|0,0,2]=3 32 B12R2.315 C=Cc1nc[nH]c-2nccc12 271570a_100011290941_100015350423 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.315 C=Cc1nccc2c1[nH]cc2 271570a_100011290941_100009816714 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.315 C=Cc1ncnc2c1[nH]cc2 271570a_100011290941_100000084117 [0,1,0,0,0,0|2,0,1]=4 35 B12R2.315 CNc1nc[nH]c-2nccc12 27a_100102657272_100015350423 [0,1,0,0,0,0|2,0,0]=3 36 B12R2.315 CNc1ncnc2c1[nH]cc2 27a_100102657272_100000084117 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.315 CNc1ncnc2c1[nH]cn2 27a_100102657272_100011215200 [0,1,0,0,0,0|1,0,1]=3 38 B12R2.315 CSc1nc[nH]c-2nccc12 62a_200000210301_100015350423 [0,1,0,0,0,0|1,1,0]=3 39 B12R2.315 CSc1nccc2c1[nH]cc2 62a_200000210301_100000060748 [0,1,0,0,0,0|2,1,0]=4 40 B12R2.315 CSc1nccc2c1[nH]nn2 62a_200000210301_100009840872 [0,1,0,0,0,0|2,1,0]=4 41 B12R2.315 CSc1ncnc2c1[nH]cc2 62a_200000210301_100000084117 [0,1,0,0,0,0|1,1,1]=4 42 B12R2.315 CSc1ncnc2c1[nH]cn2 62a_200000210301_100011215200 [0,1,0,0,0,0|0,1,1]=3 43 B12R2.315 [13CH3]Sc1nc[nH]c-2nccc12 62a_200025704644_100015350423 [0,1,0,0,0,0|1,1,0]=3 44 B12R2.315 [13CH3]Sc1nccc2c1[nH]cc2 62a_200025704644_100000060748 [0,1,0,0,0,0|2,1,0]=4 45 B12R2.315 [13CH3]Sc1nccc2c1[nH]nn2 62a_200025704644_100009840872 [0,1,0,0,0,0|2,1,0]=4 46 B12R2.315 [13CH3]Sc1ncnc2c1[nH]cc2 62a_200025704644_100000084117 [0,1,0,0,0,0|1,1,1]=4 47 B12R2.315 [13CH3]Sc1ncnc2c1[nH]cn2 62a_200025704644_100011215200 [0,1,0,0,0,0|0,1,1]=3 48 B10R1.2 C=Cc1ccnc(c1N)C 271570a_100011290941_100009885578 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.2 C=Cc1ccnc(c1N)N 271570a_100011290941_100000124095 [0,0,1,0,0,0|3,0,0]=4 50 B10R1.2 C=Cc1ncnc(c1N)N 271570a_100011290941_100000766367 [0,0,1,0,0,0|2,0,1]=4 51 B10R1.2 C=Cc1ncnc(c1N)O 271570a_100011290941_100011795086 [0,0,1,0,0,0|1,0,2]=4 52 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.39 C=Cc1ncsc1C(=O)C 271570a_100011290941_200010339033 [0,0,1,0,0,0|3,0,0]=4 56 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,0,1,0,0,0|2,0,1]=4 57 B10R1.245 C=Cc1c(nc[nH]c1=O)C 271570a_100011290941_100011356812 [0,0,1,0,0,0|3,0,0]=4 58 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [0,0,0,0,0,1|2,0,1]=4 59 B12R2.1081 Oc1nccc2c1nccn2 271570a_203496583355_100010063732 [0,0,0,0,0,1|1,0,2]=4 60 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [0,0,0,0,0,1|1,0,2]=4 61 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [0,0,0,0,0,1|1,0,2]=4 62 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.15 C=Cc1ncncc1N 271570a_100011290941_100000709731 [1,0,1,0,0,0|1,0,1]=4 65 B9R1.33 C=C=Cc1[nH]cnc1Cl 271570a_100015277604_100010200774 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [1,0,1,0,0,0|1,0,1]=4 67 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [1,0,1,0,0,0|1,0,1]=4 68 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.8 C=Cc1[nH]c(nc(=O)c1F)C 271570a_100011290941_100010274585 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.123 CC=Cc1ncn(c1C=O)C 271570a_100016259895_200000040309 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.29 CC=NNC(=O)c1cnco1 4a_100000081316_200000210099 [0,1,1,0,0,0|2,0,0]=4 73 B11R1.29 CC=NNC(=O)c1cncs1 4a_200000241815_200000210099 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.29 CC=NNC(=O)c1nnc[nH]1 4a_100011787719_200000210099 [0,1,1,0,0,0|2,0,0]=4 75 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,1,0,0,0,0|2,0,0]=4 76 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,1,0,0,0,0|2,0,0]=4 77 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [1,1,0,0,0,0|2,0,0]=4 78 B11R2.36 Oc1cc2nc[nH]c2cn1 271570a_203496583355_100000070173 [1,1,0,0,0,0|1,0,0]=3 79 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.36 Oc1cnc2nc[nH]c2c1 271570a_203496583355_100000760087 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.54 C=Cc1nc2ncnc(c2[nH]1)N 271570a_100011290941_100009817290 [0,2,0,0,0,0|1,0,1]=4 82 B13R2.54 CNc1nc2ncnc(c2[nH]1)N 27a_100102657272_100009817290 [0,2,0,0,0,0|1,0,1]=4 83 B13R2.54 CSc1nc2ncnc(c2[nH]1)N 62a_100009817290_200000210301 [0,2,0,0,0,0|1,0,1]=4 84 B13R2.54 [13CH3]Sc1nc2ncnc(c2[nH]1)N 62a_100009817290_200025704644 [0,2,0,0,0,0|1,0,1]=4 85 B13R2.4856 Cc1c(sc2c1c(=O)nc[nH]2)O 271570a_203496583355_200020923642 [0,2,0,0,0,0|2,0,0]=4 86 B13R2.582 C=Cc1nccc2c1n(cn2)C 271570a_100011290941_200010979149 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.582 C=Cc1ncnc2c1n(cn2)C 271570a_100011290941_100000078800 [0,2,0,0,0,0|1,0,1]=4 88 B13R2.582 CNc1ncnc2c1n(cn2)C 27a_100102657272_100000078800 [0,2,0,0,0,0|1,0,1]=4 89 B13R2.582 CSc1nccc2c1n(cn2)C 62a_200000210301_200010979149 [0,2,0,0,0,0|1,1,0]=4 90 B13R2.582 CSc1ncnc2c1n(cn2)C 62a_200000210301_100000078800 [0,2,0,0,0,0|0,1,1]=4 91 B13R2.582 Cn1cnc2c1c(ncc2)S[13CH3] 62a_200025704644_200010979149 [0,2,0,0,0,0|1,1,0]=4 92 B13R2.582 Cn1cnc2c1c(ncn2)S[13CH3] 62a_200025704644_100000078800 [0,2,0,0,0,0|0,1,1]=4 93 B13R2.2091 C=Cc1csc2c1c(=O)nc[nH]2 271570a_100011290941_200010749469 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.2091 CNc1csc2c1c(=O)nc[nH]2 27a_100102657272_200010749469 [0,2,0,0,0,0|2,0,0]=4 95 B13R2.2091 CSc1csc2c1c(=O)nc[nH]2 62a_200000210301_200010749469 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.2091 [13CH3]Sc1csc2c1c(=O)nc[nH]2 62a_200025704644_200010749469 [0,2,0,0,0,0|2,0,0]=4 97 B13R2.11642 Cn1cnc2c1c(nc(n2)O)O 271570a_203496583355_100000005714 [0,2,0,0,0,0|0,0,2]=4 98 B13R2.623 CNc1nc([nH]c-2nccc12)N 27a_100102657272_100000068727 [0,2,0,0,0,0|2,0,0]=4 99 B13R2.623 CNc1nc(nc2c1[nH]cn2)N 27a_100102657272_100000764887 [0,2,0,0,0,0|1,0,1]=4 100 B13R2.623 CSc1nc(nc2c1[nH]cn2)N 62a_100000764887_200000210301 [0,2,0,0,0,0|0,1,1]=4 101 B13R2.623 CSc1nc(nc2c1[nH]cn2)N 62a_200000210301_100000764887 [0,2,0,0,0,0|0,1,1]=4 102 B13R2.623 [13CH3]Sc1nc(nc2c1[nH]cn2)N 62a_100000764887_200025704644 [0,2,0,0,0,0|0,1,1]=4 103 B13R2.623 [13CH3]Sc1nc(nc2c1[nH]cn2)N 62a_200025704644_100000764887 [0,2,0,0,0,0|0,1,1]=4 104 B13R2.654 C=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100011290941_100009812310 [0,2,0,0,0,0|0,0,2]=4 105 B13R2.654 CNc1nc2nc[nH]c2c(=O)[nH]1 27a_100102657272_100020644719 [0,2,0,0,0,0|0,0,2]=4 106 B13R2.654 CSc1nc2nc[nH]c2c(=O)[nH]1 62a_200000210301_100020644719 [0,2,0,0,0,0|0,0,2]=4 107 B13R2.654 [13CH3]Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200025704644_100020644719 [0,2,0,0,0,0|0,0,2]=4 108 B13R2.292 C=C=Cc1nc[nH]c-2nccc12 271570a_100015277604_100015350423 [0,2,0,0,0,0|2,0,0]=4 109 B13R2.292 CC=Cc1nc[nH]c-2nccc12 271570a_100016259895_100015350423 [0,2,0,0,0,0|2,0,0]=4 110 B13R2.292 CCNc1nc[nH]c-2nccc12 27a_100015525214_100015350423 [0,2,0,0,0,0|2,0,0]=4 111 B13R2.292 CCNc1ncnc2c1[nH]cn2 27a_100015525214_100011215200 [0,2,0,0,0,0|1,0,1]=4 112 B13R2.292 CCSc1nc[nH]c-2nccc12 62a_100000210202_100015350423 [0,2,0,0,0,0|1,1,0]=4 113 B13R2.292 CCSc1ncnc2c1[nH]cn2 62a_100000210202_100011215200 [0,2,0,0,0,0|0,1,1]=4 114 B13R2.292 FCSc1nc[nH]c-2nccc12 62a_100015361967_100015350423 [0,2,0,0,0,0|1,1,0]=4 115 B13R2.292 FCSc1ncnc2c1[nH]cn2 62a_100015361967_100011215200 [0,2,0,0,0,0|0,1,1]=4 116 B13R2.5569 C=C(C)c1nc[nH]c-2nccc12 271570a_100000694244_100015350423 [0,2,0,0,0,0|2,0,0]=4 117 B13R2.5569 CN(C)c1nc[nH]c-2nccc12 27a_100102631434_100015350423 [0,2,0,0,0,0|2,0,0]=4 118 B13R2.5569 CN(C)c1ncnc2c1[nH]cn2 27a_100102631434_100011215200 [0,2,0,0,0,0|1,0,1]=4 119 B11R2.2 c1nc(c[nH]1)c2cncs2 271570a_100010231675_100000756875 [0,0,1,1,0,0|2,0,0]=4 120 B11R2.2 c1nc(n[nH]1)c2cncs2 271570a_100010231675_100000761765 [0,0,1,1,0,0|2,0,0]=4