0 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [0,0,0,0,0,0|3,1,0]=4 1 B11R2.106 Oc1cccc2c1[nH]nn2 271570a_203496583355_100009820029 [0,0,0,0,0,0|3,1,0]=4 2 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [0,0,0,0,0,0|3,1,0]=4 3 B11R2.106 Oc1cccc2c1scn2 271570a_203496583355_100010246326 [0,0,0,0,0,0|3,1,0]=4 4 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [0,0,0,0,0,0|2,1,1]=4 5 B11R2.106 Oc1cncc2c1[nH]cn2 271570a_203496583355_100000759552 [0,0,0,0,0,0|3,1,0]=4 6 B11R2.106 Oc1nc[nH]c-2nccc12 271570a_203496583355_100015350423 [0,0,0,0,0,0|1,1,0]=2 7 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [0,0,0,0,0,0|2,1,0]=3 8 B11R2.106 Oc1nccc2c1[nH]nc2 271570a_203496583355_100009852419 [0,0,0,0,0,0|3,1,0]=4 9 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [0,0,0,0,0,0|2,1,1]=4 10 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [0,0,0,0,0,0|3,1,0]=4 11 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [0,0,0,0,0,0|3,1,0]=4 12 B11R2.106 Oc1nccc2c1nc[nH]2 271570a_203496583355_100009820035 [0,0,0,0,0,0|1,1,2]=4 13 B11R2.106 Oc1nccc2c1scc2 271570a_203496583355_100000117209 [0,0,0,0,0,0|3,1,0]=4 14 B11R2.106 Oc1nccn2c1ccn2 271570a_203496583355_100009846796 [0,0,0,0,0,0|3,1,0]=4 15 B11R2.106 Oc1nccn2c1ncn2 271570a_203496583355_100000094309 [0,0,0,0,0,0|2,1,1]=4 16 B11R2.106 Oc1ncnc2c1[nH]cc2 271570a_203496583355_100000084117 [0,0,0,0,0,0|1,1,1]=3 17 B11R2.106 Oc1ncnc2c1cco2 271570a_203496583355_100000094286 [0,0,0,0,0,0|2,1,1]=4 18 B11R2.106 Oc1ncnc2c1ccs2 271570a_203496583355_100000183654 [0,0,0,0,0,0|2,1,1]=4 19 B11R2.106 Oc1ncnc2c1ncs2 271570a_203496583355_100009860286 [0,0,0,0,0,0|1,1,2]=4 20 B11R2.106 Oc1ncnc2c1scc2 271570a_203496583355_100000234879 [0,0,0,0,0,0|2,1,1]=4 21 B12R2.82 Cc1c(cnc2c1[nH]cn2)O 271570a_203496583355_100010140963 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.202 Nc1ncnc2c1[nH]c(n2)O 271570a_203496583355_100009817290 [0,1,0,0,0,0|1,0,1]=3 23 B12R2.203 Cn1ccc2c1c(ncn2)O 271570a_203496583355_100009847513 [0,1,0,0,0,0|1,1,1]=4 24 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [0,1,0,0,0,0|2,1,0]=4 25 B12R2.203 Cn1cnc2c1c(ncc2)O 271570a_203496583355_200010979149 [0,1,0,0,0,0|1,1,0]=3 26 B12R2.203 Cn1cnc2c1c(ncn2)O 271570a_203496583355_100000078800 [0,1,0,0,0,0|0,1,1]=3 27 B12R2.203 O=c1nc[nH]c2c1c(cs2)O 271570a_203496583355_200010749469 [0,1,0,0,0,0|2,1,0]=4 28 B12R2.246 Cc1cc(c2[nH]cnc2c1)O 271570a_203496583355_100010107307 [0,1,0,0,0,0|2,1,0]=4 29 B12R2.246 Nc1nc(c2[nH]ccc2n1)O 271570a_203496583355_100000093568 [0,1,0,0,0,0|1,1,1]=4 30 B12R2.246 O=c1[nH]c(nc2c1[nH]cn2)O 271570a_203496583355_100009812310 [0,1,0,0,0,0|0,1,2]=4 31 B12R2.315 C=Cc1nc[nH]c-2nccc12 271570a_100011290941_100015350423 [0,1,0,0,0,0|2,0,0]=3 32 B12R2.315 C=Cc1nccc2c1[nH]cc2 271570a_100011290941_100009816714 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.315 C=Cc1ncnc2c1[nH]cc2 271570a_100011290941_100000084117 [0,1,0,0,0,0|2,0,1]=4 34 B12R2.315 CNc1nc[nH]c-2nccc12 27a_100102657272_100015350423 [0,1,0,0,0,0|2,0,0]=3 35 B12R2.315 CNc1ncnc2c1[nH]cc2 27a_100102657272_100000084117 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.315 CNc1ncnc2c1[nH]cn2 27a_100102657272_100011215200 [0,1,0,0,0,0|1,0,1]=3 37 B12R2.315 CSc1nc[nH]c-2nccc12 62a_200000210301_100015350423 [0,1,0,0,0,0|1,0,1]=3 38 B12R2.315 CSc1nccc2c1[nH]cc2 62a_200000210301_100000060748 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.315 CSc1nccc2c1[nH]nn2 62a_200000210301_100009840872 [0,1,0,0,0,0|2,0,1]=4 40 B12R2.315 CSc1ncnc2c1[nH]cc2 62a_200000210301_100000084117 [0,1,0,0,0,0|1,0,2]=4 41 B12R2.315 CSc1ncnc2c1[nH]cn2 62a_200000210301_100011215200 [0,1,0,0,0,0|0,0,2]=3 42 B12R2.315 [13CH3]Sc1nc[nH]c-2nccc12 62a_200025704644_100015350423 [0,1,0,0,0,0|1,0,1]=3 43 B12R2.315 [13CH3]Sc1nccc2c1[nH]cc2 62a_200025704644_100000060748 [0,1,0,0,0,0|2,0,1]=4 44 B12R2.315 [13CH3]Sc1nccc2c1[nH]nn2 62a_200025704644_100009840872 [0,1,0,0,0,0|2,0,1]=4 45 B12R2.315 [13CH3]Sc1ncnc2c1[nH]cc2 62a_200025704644_100000084117 [0,1,0,0,0,0|1,0,2]=4 46 B12R2.315 [13CH3]Sc1ncnc2c1[nH]cn2 62a_200025704644_100011215200 [0,1,0,0,0,0|0,0,2]=3 47 B10R1.2 C=Cc1ccnc(c1N)C 271570a_100011290941_100009885578 [0,0,1,0,0,0|3,0,0]=4 48 B10R1.2 C=Cc1ccnc(c1N)N 271570a_100011290941_100000124095 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.2 C=Cc1ncnc(c1N)N 271570a_100011290941_100000766367 [0,0,1,0,0,0|2,0,1]=4 50 B10R1.2 C=Cc1ncnc(c1N)O 271570a_100011290941_100011795086 [0,0,1,0,0,0|1,1,1]=4 51 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [0,0,1,0,0,0|3,0,0]=4 52 B10R1.245 C=Cc1c(nc[nH]c1=O)C 271570a_100011290941_100011356812 [0,0,1,0,0,0|3,0,0]=4 53 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [0,0,0,0,0,1|2,1,0]=4 54 B12R2.1081 Oc1nccc2c1nccn2 271570a_203496583355_100010063732 [0,0,0,0,0,1|1,1,1]=4 55 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [0,0,0,0,0,1|1,1,1]=4 56 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [0,0,0,0,0,1|1,1,1]=4 57 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.15 C=Cc1ncncc1N 271570a_100011290941_100000709731 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.33 C=C=Cc1[nH]cnc1Cl 271570a_100015277604_100010200774 [1,0,1,0,0,0|2,0,0]=4 61 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [1,0,1,0,0,0|2,0,0]=4 62 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,1,0,0,0,0|2,0,0]=4 63 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,1,0,0,0,0|2,0,0]=4 64 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [1,1,0,0,0,0|2,0,0]=4 65 B11R2.36 Oc1cc2nc[nH]c2cn1 271570a_203496583355_100000070173 [1,1,0,0,0,0|1,0,0]=3 66 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,1,0,0,0,0|2,0,0]=4 67 B11R2.36 Oc1cnc2nc[nH]c2c1 271570a_203496583355_100000760087 [1,1,0,0,0,0|1,0,1]=4 68 B13R2.54 C=Cc1nc2ncnc(c2[nH]1)N 271570a_100011290941_100009817290 [0,2,0,0,0,0|1,0,1]=4 69 B13R2.54 CNc1nc2ncnc(c2[nH]1)N 27a_100102657272_100009817290 [0,2,0,0,0,0|1,0,1]=4 70 B13R2.54 CSc1nc2ncnc(c2[nH]1)N 62a_100009817290_200000210301 [0,2,0,0,0,0|1,0,1]=4 71 B13R2.54 [13CH3]Sc1nc2ncnc(c2[nH]1)N 62a_100009817290_200025704644 [0,2,0,0,0,0|1,0,1]=4 72 B13R2.582 C=Cc1nccc2c1n(cn2)C 271570a_100011290941_200010979149 [0,2,0,0,0,0|2,0,0]=4 73 B13R2.582 C=Cc1ncnc2c1n(cn2)C 271570a_100011290941_100000078800 [0,2,0,0,0,0|1,0,1]=4 74 B13R2.582 CNc1ncnc2c1n(cn2)C 27a_100102657272_100000078800 [0,2,0,0,0,0|1,0,1]=4 75 B13R2.582 CSc1nccc2c1n(cn2)C 62a_200000210301_200010979149 [0,2,0,0,0,0|1,0,1]=4 76 B13R2.582 CSc1ncnc2c1n(cn2)C 62a_200000210301_100000078800 [0,2,0,0,0,0|0,0,2]=4 77 B13R2.582 Cn1cnc2c1c(ncc2)S[13CH3] 62a_200025704644_200010979149 [0,2,0,0,0,0|1,0,1]=4 78 B13R2.582 Cn1cnc2c1c(ncn2)S[13CH3] 62a_200025704644_100000078800 [0,2,0,0,0,0|0,0,2]=4 79 B13R2.11642 Cn1cnc2c1c(nc(n2)O)O 271570a_203496583355_100000005714 [0,2,0,0,0,0|0,1,1]=4 80 B13R2.623 CNc1nc([nH]c-2nccc12)N 27a_100102657272_100000068727 [0,2,0,0,0,0|2,0,0]=4 81 B13R2.623 CNc1nc(nc2c1[nH]cn2)N 27a_100102657272_100000764887 [0,2,0,0,0,0|1,0,1]=4 82 B13R2.623 CSc1nc(nc2c1[nH]cn2)N 62a_100000764887_200000210301 [0,2,0,0,0,0|0,0,2]=4 83 B13R2.623 CSc1nc(nc2c1[nH]cn2)N 62a_200000210301_100000764887 [0,2,0,0,0,0|0,0,2]=4 84 B13R2.623 [13CH3]Sc1nc(nc2c1[nH]cn2)N 62a_100000764887_200025704644 [0,2,0,0,0,0|0,0,2]=4 85 B13R2.623 [13CH3]Sc1nc(nc2c1[nH]cn2)N 62a_200025704644_100000764887 [0,2,0,0,0,0|0,0,2]=4 86 B13R2.292 C=C=Cc1nc[nH]c-2nccc12 271570a_100015277604_100015350423 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.292 CC=Cc1nc[nH]c-2nccc12 271570a_100016259895_100015350423 [0,2,0,0,0,0|2,0,0]=4 88 B13R2.292 CCNc1nc[nH]c-2nccc12 27a_100015525214_100015350423 [0,2,0,0,0,0|2,0,0]=4 89 B13R2.292 CCNc1ncnc2c1[nH]cn2 27a_100015525214_100011215200 [0,2,0,0,0,0|1,0,1]=4 90 B13R2.292 CCSc1nc[nH]c-2nccc12 62a_100000210202_100015350423 [0,2,0,0,0,0|1,0,1]=4 91 B13R2.292 CCSc1ncnc2c1[nH]cn2 62a_100000210202_100011215200 [0,2,0,0,0,0|0,0,2]=4 92 B13R2.292 FCSc1nc[nH]c-2nccc12 62a_100015361967_100015350423 [0,2,0,0,0,0|1,0,1]=4 93 B13R2.292 FCSc1ncnc2c1[nH]cn2 62a_100015361967_100011215200 [0,2,0,0,0,0|0,0,2]=4 94 B13R2.5569 C=C(C)c1nc[nH]c-2nccc12 271570a_100000694244_100015350423 [0,2,0,0,0,0|2,0,0]=4 95 B13R2.5569 CN(C)c1nc[nH]c-2nccc12 27a_100102631434_100015350423 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.5569 CN(C)c1ncnc2c1[nH]cn2 27a_100102631434_100011215200 [0,2,0,0,0,0|1,0,1]=4 97 B11R2.2 c1nc(c[nH]1)c2cncs2 271570a_100010231675_100000756875 [0,0,1,1,0,0|2,0,0]=4 98 B11R2.2 c1nc(n[nH]1)c2cncs2 271570a_100010231675_100000761765 [0,0,1,1,0,0|2,0,0]=4