0 B12R2.246 Cc1cc(c2[nH]ncc2n1)O 271570a_203496583355_100000087595 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.246 Cc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010186026 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.246 Cc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100000095047 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.246 Cc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100009816876 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.246 Cc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100009816875 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.246 Cc1nc(c2c(n1)CCC2)O 271570a_203496583355_100011240833 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.246 Cc1nc(c2cc[nH]c2n1)O 271570a_203496583355_100000092993 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.246 Cc1nc(c2ccsc2n1)O 271570a_203496583355_100000183124 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.246 Cc1nc(c2cn[nH]c2n1)O 271570a_203496583355_100000745003 [0,0,0,0,0,0|1,0,0]=1 9 B12R2.246 Cc1nc(c2sccc2n1)O 271570a_203496583355_100012000418 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.246 Nc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006569 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.246 Nc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100009864914 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.246 Nc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010185947 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.246 Nc1cc(cc2c1cc[nH]2)O 271570a_203496583355_106744500199 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.246 Nc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010177796 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.246 Nc1nc(c2[nH]ccc2n1)O 271570a_203496583355_100000093568 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.246 Nc1nc(c2nc[nH]c2n1)O 271570a_203496583355_200000049598 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.246 Nc1nc(nc2c1CCC2)O 271570a_203496583355_100000107085 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.246 Nc1nc(nc2c1cn[nH]2)O 271570a_203496583355_100000696086 [0,0,0,0,0,0|1,0,0]=1 19 B12R2.246 Nc1nc(nc2c1scc2)O 271570a_203496583355_100012002325 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.246 O=c1cc(nc2n1cc[nH]2)O 271570a_203496583355_100009861764 [0,0,0,0,0,0|3,0,1]=4 21 B12R2.246 Oc1cc(c2[nH]ncc2c1)O 271570a_203496583355_100015619115 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.246 Oc1cc(c2cc[nH]c2c1)Br 271570a_203496583355_100009814775 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.246 Oc1cc(c2cc[nH]c2c1)F 271570a_203496583355_100010186028 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.246 Oc1cc(c2cn[nH]c2c1)Br 271570a_203496583355_100009814768 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.246 Oc1cc(c2cn[nH]c2c1)Cl 271570a_203496583355_100000050090 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.246 Oc1cc(c2cn[nH]c2c1)F 271570a_203496583355_100010185991 [0,0,0,0,0,0|3,0,0]=3 27 B12R2.246 Oc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010185960 [0,0,0,0,0,0|2,0,0]=2 28 B12R2.246 Oc1cc(cc2c1cc[nH]2)Br 271570a_203496583355_100009814761 [0,0,0,0,0,0|4,0,0]=4 29 B12R2.246 Oc1cc(cc2c1cc[nH]2)F 271570a_203496583355_100010188273 [0,0,0,0,0,0|4,0,0]=4 30 B12R2.246 Oc1cc(cc2c1cn[nH]2)Br 271570a_203496583355_100009814777 [0,0,0,0,0,0|3,0,0]=3 31 B12R2.246 Oc1cc(cc2c1cn[nH]2)Cl 271570a_203496583355_100000050163 [0,0,0,0,0,0|3,0,0]=3 32 B12R2.246 Oc1cc(cc2c1cn[nH]2)F 271570a_203496583355_100010185992 [0,0,0,0,0,0|3,0,0]=3 33 B12R2.246 Oc1cc(nc2c1cn[nH]2)F 271570a_203496583355_103551249018 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.246 Oc1cc2nccn2c(n1)O 271570a_203496583355_100015273213 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [1,0,0,0,0,0|2,0,0]=3 36 B11R2.36 Oc1cc2[nH]ncc2cn1 271570a_203496583355_100009872621 [1,0,0,0,0,0|1,0,0]=2 37 B11R2.36 Oc1cc2c(cn1)CCN2 271570a_203496583355_100020639910 [1,0,0,0,0,0|2,0,1]=4 38 B11R2.36 Oc1cc2cn[nH]c2cn1 271570a_203496583355_100009820118 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.36 Oc1cc2sccc2cn1 271570a_203496583355_200016184645 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.36 Oc1ccc2[nH]ncc2n1 271570a_203496583355_100000082131 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [1,0,0,0,0,0|2,0,0]=3 43 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,0,0,0,0,0|2,0,0]=3 44 B11R2.36 Oc1ccc2cn[nH]c2n1 271570a_203496583355_100009883947 [1,0,0,0,0,0|1,0,0]=2 45 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.36 Oc1ccc2nc[nH]c2n1 271570a_203496583355_100000077665 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.36 Oc1ccc2nn[nH]c2c1 271570a_203496583355_100009817464 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.36 Oc1cnc2cn[nH]c2c1 271570a_203496583355_100009844038 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.36 Oc1ncc2[nH]ncc2n1 271570a_203496583355_100009843425 [1,0,0,0,0,0|2,0,0]=3 50 B11R2.36 Oc1ncc2c(n1)CCC2 271570a_203496583355_100009881048 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.36 Oc1ncc2ccsc2n1 271570a_203496583355_100009840870 [1,0,0,0,0,0|2,0,0]=3 52 B11R2.36 Oc1ncc2sccc2n1 271570a_203496583355_100000117912 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [1,0,0,0,0,0|2,0,0]=3 55 B11R2.106 Oc1cccc2c1cno2 271570a_203496583355_100009818589 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.106 Oc1ccnc2c1[nH]nc2 271570a_203496583355_100000112858 [1,0,0,0,0,0|3,0,0]=4 57 B11R2.106 Oc1ccnc2c1cc[nH]2 271570a_203496583355_100000049914 [1,0,0,0,0,0|2,0,0]=3 58 B11R2.106 Oc1ccnc2c1ccs2 271570a_203496583355_100009861243 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.106 Oc1ccnc2c1cn[nH]2 271570a_203496583355_100009819725 [1,0,0,0,0,0|1,0,0]=2 60 B11R2.106 Oc1ccnc2c1nc[nH]2 271570a_203496583355_100009820729 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.106 Oc1ccnc2c1nn[nH]2 271570a_203496583355_100009853804 [1,0,0,0,0,0|2,0,0]=3 62 B11R2.106 Oc1cncc2c1cn[nH]2 271570a_203496583355_100009819959 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.106 Oc1nc[nH]c-2nccc12 271570a_203496583355_100015350423 [1,0,0,0,0,0|1,0,2]=4 64 B11R2.106 Oc1nccc2c1CCN2 271570a_203496583355_100000104060 [1,0,0,0,0,0|2,0,1]=4 65 B11R2.106 Oc1nccc2c1[nH]nc2 271570a_203496583355_100009852419 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [1,0,0,0,0,0|2,0,0]=3 67 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [1,0,0,0,0,0|3,0,0]=4 69 B11R2.106 Oc1nccc2c1cn[nH]2 271570a_203496583355_100102525074 [1,0,0,0,0,0|1,0,0]=2 70 B11R2.106 Oc1nccc2c1nc[nH]2 271570a_203496583355_100009820035 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.106 Oc1nccn2c1cnc2 271570a_203496583355_100009989554 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.106 Oc1ncnc2c1CCC2 271570a_203496583355_100000750143 [1,0,0,0,0,0|2,0,1]=4 73 B11R2.106 Oc1ncnc2c1CCN2 271570a_203496583355_200000104052 [1,0,0,0,0,0|1,0,1]=3 74 B11R2.106 Oc1ncnc2c1[nH]cc2 271570a_203496583355_100000084117 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.106 Oc1ncnc2c1cco2 271570a_203496583355_100000094286 [1,0,0,0,0,0|2,0,0]=3 76 B11R2.106 Oc1ncnc2c1ccs2 271570a_203496583355_100000183654 [1,0,0,0,0,0|2,0,0]=3 77 B11R2.106 Oc1ncnc2c1cn[nH]2 271570a_203496583355_100000735611 [1,0,0,0,0,0|0,0,0]=1 78 B11R2.106 Oc1ncnc2c1ncs2 271570a_203496583355_100009860286 [1,0,0,0,0,0|3,0,0]=4 79 B11R2.106 Oc1ncnc2c1scc2 271570a_203496583355_100000234879 [1,0,0,0,0,0|3,0,0]=4 80 B11R2.106 Oc1ncnn2c1ccc2 271570a_203496583355_100000104113 [1,0,0,0,0,0|3,0,0]=4 81 B13R2.623 C=Cc1cc(nc2c1cn[nH]2)F 271570a_100011290941_103551249018 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.623 C=Cc1nc(nc2c1cc[nH]2)C 271570a_100011290941_100000092993 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.623 C=Cc1nc(nc2c1cn[nH]2)C 271570a_100011290941_100000745003 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.623 CNc1cc(nc2c1cn[nH]2)F 27a_100102657272_103551249018 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.623 CNc1nc(nc2c1cc[nH]2)C 27a_100102657272_100000092993 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.623 CNc1nc(nc2c1cn[nH]2)C 27a_100102657272_100000745003 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.623 COc1cc(cc2c1cc[nH]2)O 271570a_203496583355_100010006603 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.623 COc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010185973 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.623 COc1nc(nc2c1cn[nH]2)O 271570a_203496583355_200013070299 [0,1,0,0,0,0|0,0,0]=1 90 B13R2.623 COc1nc(nc2c1scc2)O 271570a_203496583355_200014799438 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.623 CSc1cc(nc2c1cn[nH]2)F 62a_103551249018_200000210301 [0,1,0,0,0,0|2,1,0]=4 92 B13R2.623 CSc1cc(nc2c1cn[nH]2)F 62a_200000210301_103551249018 [0,1,0,0,0,0|2,1,0]=4 93 B13R2.623 CSc1nc(nc2c1cc[nH]2)C 62a_200000210301_100000092993 [0,1,0,0,0,0|2,1,0]=4 94 B13R2.623 CSc1nc(nc2c1cn[nH]2)C 62a_100000745003_200000210301 [0,1,0,0,0,0|1,1,0]=3 95 B13R2.623 CSc1nc(nc2c1cn[nH]2)C 62a_200000210301_100000745003 [0,1,0,0,0,0|1,1,0]=3 96 B13R2.623 Cc1nc(c2cc[nH]c2n1)S[13CH3] 62a_200025704644_100000092993 [0,1,0,0,0,0|2,1,0]=4 97 B13R2.623 Cc1nc(c2cn[nH]c2n1)S[13CH3] 62a_100000745003_200025704644 [0,1,0,0,0,0|1,1,0]=3 98 B13R2.623 Cc1nc(c2cn[nH]c2n1)S[13CH3] 62a_200025704644_100000745003 [0,1,0,0,0,0|1,1,0]=3 99 B13R2.623 N#Cc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010195930 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.623 N#Cc1cc(nc2c1cc[nH]2)O 271570a_203496583355_100000095051 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.623 O=Cc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010870203 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.623 [13CH3]Sc1cc(nc2c1cn[nH]2)F 62a_103551249018_200025704644 [0,1,0,0,0,0|2,1,0]=4 103 B13R2.623 [13CH3]Sc1cc(nc2c1cn[nH]2)F 62a_200025704644_103551249018 [0,1,0,0,0,0|2,1,0]=4 104 B13R2.654 C=Cc1cc(c2cn[nH]c2c1)O 271570a_100011290941_100010185960 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.654 C=Cc1nc(c2cn[nH]c2n1)N 271570a_100011290941_100000696086 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.654 CCc1nc(c2ccsc2n1)O 271570a_203496583355_200000693752 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.654 CNc1nc(c2cn[nH]c2n1)N 27a_100102657272_100000696086 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.654 COc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006585 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.654 COc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010188275 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.654 CSc1cc(c2cn[nH]c2c1)O 62a_200000210301_100010185960 [0,1,0,0,0,0|2,1,0]=4 111 B13R2.654 CSc1nc(c-2cnnc2[nH]1)O 271570a_203496583355_100015949195 [0,1,0,0,0,0|0,1,2]=4 112 B13R2.654 CSc1nc(c2cc[nH]c2n1)O 271570a_203496583355_100000090414 [0,1,0,0,0,0|1,1,0]=3 113 B13R2.654 CSc1nc(c2cn[nH]c2n1)N 62a_200000210301_100000696086 [0,1,0,0,0,0|1,1,0]=3 114 B13R2.654 N#Cc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100009847305 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.654 N#Cc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010195929 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.654 [13CH3]Sc1cc(c2cn[nH]c2c1)O 62a_200025704644_100010185960 [0,1,0,0,0,0|2,1,0]=4 117 B13R2.654 [13CH3]Sc1nc(c2cn[nH]c2n1)N 62a_200025704644_100000696086 [0,1,0,0,0,0|1,1,0]=3 118 B13R2.3742 Cc1nc(c2cnn(c2n1)C)O 271570a_203496583355_100000743007 [0,1,0,0,0,0|1,0,0]=2 119 B13R2.3742 Cn1cnc2c1nc(nc2O)N 271570a_203496583355_100000708713 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.3742 Cn1ncc2c1nc([nH]c2=O)O 271570a_203496583355_100000057953 [0,1,0,0,0,0|0,0,2]=3 121 B13R2.3742 Cn1ncc2c1nc(nc2O)N 271570a_203496583355_100000144275 [0,1,0,0,0,0|1,0,0]=2 122 B13R2.4899 Cc1c(cc2[nH]ncc2c1O)F 271570a_203496583355_106726393321 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.5397 CN1Cc2nc(nc(c2C1)O)O 2230a_202520647214_200000210301 [0,1,0,0,0,0|1,0,2]=4 124 B13R2.5397 [13CH3]N1Cc2nc(nc(c2C1)O)O 2230a_202520647214_200025704644 [0,1,0,0,0,0|1,0,2]=4 125 B13R2.11642 Cn1cnc2c1c(nc(n2)O)O 271570a_203496583355_100000005714 [0,1,0,0,0,0|2,0,1]=4 126 B13R2.11642 Nc1n[nH]c2c1c(cc(c2)O)F 271570a_203496583355_100010779177 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.11642 Nc1nc(c2c(n[nH]c2n1)O)N 271570a_203496583355_100010293082 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.34 C=C=Cc1cc(nc(n1)C)O 271570a_100015277604_106741647437 [0,0,1,0,0,0|3,0,0]=4 129 B11R1.34 C=C=Cc1cc(nc(n1)N)O 271570a_100015277604_100000694715 [0,0,1,0,0,0|3,0,0]=4 130 B11R1.34 CCNc1cc(nc(n1)C)O 27a_100015525214_106741647437 [0,0,1,0,0,0|2,0,1]=4 131 B11R1.34 CCNc1cc(nc(n1)N)O 271570a_203496583355_100011228705 [0,0,1,0,0,0|2,0,1]=4 132 B11R1.34 CCNc1cc(nc(n1)N)O 27a_100015525214_100000694715 [0,0,1,0,0,0|2,0,1]=4 133 B11R1.464 C=Cc1c(nc(nc1O)N)C 271570a_100011290941_200000008613 [0,0,1,0,0,0|3,0,0]=4 134 B11R1.464 CSc1c(nc(nc1O)N)N 62a_200009812812_200000210301 [0,0,1,0,0,0|3,0,0]=4 135 B11R1.464 N#Cc1c(nc(nc1O)N)N 271570a_203496583355_100010978646 [0,0,1,0,0,0|1,0,2]=4 136 B11R1.464 [13CH3]Sc1c(nc(nc1O)N)N 62a_200009812812_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,0,0,0,0,1|3,0,0]=4 138 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,0,0,1|3,0,0]=4 139 B13R2.328 Nc1cc2cnccc2c(n1)O 271570a_203496583355_100000690061 [0,0,0,0,0,1|3,0,0]=4 140 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.2 CNc1ncnc(c1C)O 271570a_203496583355_200011913118 [1,0,1,0,0,0|1,0,1]=4 142 B10R1.2 CNc1ncnc(c1C)O 27a_100102657272_100011912821 [1,0,1,0,0,0|1,0,1]=4 143 B10R1.2 CNc1ncnc(c1N)O 271570a_203496583355_100011794930 [1,0,1,0,0,0|2,0,0]=4 144 B10R1.8 C=Cc1cc(nc(n1)C)O 271570a_100011290941_106741647437 [1,0,1,0,0,0|2,0,0]=4 145 B10R1.8 C=Cc1cc(nc(n1)N)O 271570a_100011290941_100000694715 [1,0,1,0,0,0|2,0,0]=4 146 B10R1.8 CNc1cc(nc(n1)C)O 271570a_203496583355_100000758931 [1,0,1,0,0,0|1,0,1]=4 147 B10R1.8 CNc1cc(nc(n1)C)O 27a_100102657272_106741647437 [1,0,1,0,0,0|1,0,1]=4 148 B10R1.8 CNc1cc(nc(n1)N)O 271570a_203496583355_100011228701 [1,0,1,0,0,0|1,0,1]=4 149 B10R1.8 CNc1cc(nc(n1)N)O 27a_100102657272_100000694715 [1,0,1,0,0,0|1,0,1]=4 150 B10R1.8 CNc1cc(nc(n1)O)C 271570a_203496583355_100011684537 [1,0,1,0,0,0|1,0,1]=4 151 B10R1.8 NNc1cc(nc(n1)N)O 271570a_203496583355_100000696133 [1,0,1,0,0,0|1,0,1]=4 152 B10R1.22 Cc1nc(c(c(n1)O)C)N 271570a_203496583355_200000700166 [1,0,1,0,0,0|1,0,1]=4 153 B10R1.22 Cc1nc(c(c(n1)O)F)N 271570a_203496583355_100000117604 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.22 Cc1nc(c(c(n1)O)N)N 271570a_203496583355_100009882007 [1,0,1,0,0,0|1,0,1]=4 155 B10R1.22 Cc1nc(nc(c1N)N)O 271570a_203496583355_100011218874 [1,0,1,0,0,0|1,0,1]=4 156 B10R1.22 Nc1nc(c(c(n1)O)N)N 271570a_203496583355_100000102768 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.30 CNc1nc(ncc1F)O 271570a_203496583355_100000185923 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.30 NNc1nc(ncc1F)O 271570a_203496583355_100000122893 [1,0,1,0,0,0|1,0,1]=4 159 B10R1.10 C=C=Cc1cc(ncn1)O 271570a_100015277604_100000765262 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.10 CCNc1cc(ncn1)O 271570a_203496583355_200000242512 [1,0,1,0,0,0|1,0,1]=4 161 B10R1.10 CCNc1cc(ncn1)O 27a_100015525214_100000765262 [1,0,1,0,0,0|1,0,1]=4 162 B10R1.10 CCNc1ccnc(n1)O 271570a_203496583355_100011649949 [1,0,1,0,0,0|1,0,1]=4 163 B10R1.4 C=C=Cc1cncnc1O 271570a_100015277604_100000751107 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.4 CC=Cc1cncnc1O 271570a_100016259895_100000751107 [1,0,1,0,0,0|2,0,0]=4 165 B10R1.25 C=Cc1cnc(nc1N)C 271570a_100011290941_100000684960 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.25 C=Cc1cnc(nc1N)N 271570a_100011290941_200010734216 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.25 COc1cnc(nc1N)O 271570a_203496583355_100009886850 [1,0,1,0,0,0|2,0,0]=4 168 B10R1.25 N#Cc1cnc(nc1N)O 271570a_203496583355_100000041447 [1,0,1,0,0,0|0,0,2]=4 169 B10R1.25 Nc1nc(ncc1CO)O 271570a_203496583355_200009965464 [1,0,1,0,0,0|1,0,1]=4 170 B10R1.245 C=Cc1c(ncnc1N)C 271570a_100011290941_100011996190 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.245 C=Cc1c(ncnc1N)N 271570a_100011290941_100010128106 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.245 COc1c(ncnc1O)N 271570a_203496583355_100011998528 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.245 N#Cc1c(ncnc1O)N 271570a_203496583355_100000086035 [1,0,1,0,0,0|0,0,2]=4 174 B10R1.245 Nc1nccc(c1C=O)O 271570a_203496583355_100009843235 [1,0,1,0,0,0|2,0,0]=4 175 B10R1.245 Nc1ncnc(c1C=O)O 271570a_203496583355_100000765549 [1,0,1,0,0,0|1,0,0]=3 176 B12R1.100 C=CCNc1cc(nc(n1)C)O 27a_100020586998_106741647437 [0,1,1,0,0,0|2,0,0]=4 177 B12R1.100 C=CCNc1cc(nc(n1)N)O 27a_100020586998_100000694715 [0,1,1,0,0,0|2,0,0]=4 178 B12R1.100 CC=NNc1cc(nc(n1)C)C 4a_100000738184_200000210099 [0,1,1,0,0,0|2,0,0]=4 179 B12R2.44 C=Cc1cc2[nH]ncc2cn1 271570a_100011290941_100009872621 [1,1,0,0,0,0|2,0,0]=4 180 B12R2.44 C=Cc1ccc2cn[nH]c2n1 271570a_100011290941_100009883947 [1,1,0,0,0,0|2,0,0]=4 181 B12R2.44 CNc1cc2[nH]ncc2cn1 27a_100102657272_100009872621 [1,1,0,0,0,0|2,0,0]=4 182 B12R2.44 CNc1ccc2cn[nH]c2n1 27a_100102657272_100009883947 [1,1,0,0,0,0|2,0,0]=4 183 B12R2.44 CNc1ncc2cc[nH]c2n1 27a_100102657272_100000059789 [1,1,0,0,0,0|2,0,0]=4 184 B12R2.44 CNc1ncc2cn[nH]c2n1 27a_100102657272_100000063646 [1,1,0,0,0,0|1,0,0]=3 185 B12R2.44 CSc1cc2[nH]ncc2cn1 62a_200000210301_100009872621 [1,1,0,0,0,0|1,1,0]=4 186 B12R2.44 CSc1ccc2cn[nH]c2n1 62a_100009883947_200000210301 [1,1,0,0,0,0|1,1,0]=4 187 B12R2.44 CSc1ncc2cc[nH]c2n1 62a_200000210301_100000059789 [1,1,0,0,0,0|1,1,0]=4 188 B12R2.44 CSc1ncc2cn[nH]c2n1 62a_200000210301_100000063646 [1,1,0,0,0,0|0,1,0]=3 189 B12R2.44 [13CH3]Sc1cc2[nH]ncc2cn1 62a_200025704644_100009872621 [1,1,0,0,0,0|1,1,0]=4 190 B12R2.44 [13CH3]Sc1ccc2cn[nH]c2n1 62a_100009883947_200025704644 [1,1,0,0,0,0|1,1,0]=4 191 B12R2.44 [13CH3]Sc1ncc2cc[nH]c2n1 62a_200025704644_100000059789 [1,1,0,0,0,0|1,1,0]=4 192 B12R2.44 [13CH3]Sc1ncc2cn[nH]c2n1 62a_200025704644_100000063646 [1,1,0,0,0,0|0,1,0]=3 193 B12R2.82 Cc1c(ncc2c1[nH]cc2)O 271570a_203496583355_100010244392 [1,1,0,0,0,0|2,0,0]=4 194 B12R2.82 Oc1ccc2cn[nH]c2c1F 271570a_203496583355_100102525427 [1,1,0,0,0,0|2,0,0]=4 195 B12R2.100 Cc1cc2cn[nH]c2cc1O 271570a_203496583355_100009816928 [1,1,0,0,0,0|2,0,0]=4 196 B12R2.100 Nc1cc2cn[nH]c2cc1O 271570a_203496583355_100011012411 [1,1,0,0,0,0|2,0,0]=4 197 B12R2.100 Oc1cc2[nH]ncc2cc1F 271570a_203496583355_100010131892 [1,1,0,0,0,0|2,0,0]=4 198 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010079831 [1,1,0,0,0,0|2,0,0]=4 199 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010080172 [1,1,0,0,0,0|2,0,0]=4 200 B12R2.132 Cn1ccc2c1cc(nc2)O 271570a_203496583355_100020639908 [1,1,0,0,0,0|2,0,0]=4 201 B12R2.132 Cn1ccc2c1nc(nc2)O 271570a_203496583355_100009859872 [1,1,0,0,0,0|1,0,0]=3 202 B12R2.132 Cn1cnc2c1nc(nc2)O 271570a_203496583355_100000085903 [1,1,0,0,0,0|2,0,0]=4 203 B12R2.132 Cn1ncc2c1cc(cc2)O 271570a_203496583355_100009817177 [1,1,0,0,0,0|2,0,0]=4 204 B12R2.132 Cn1ncc2c1cc(nc2)O 271570a_203496583355_100016185733 [1,1,0,0,0,0|1,0,0]=3 205 B12R2.132 Cn1ncc2c1nc(cc2)O 271570a_203496583355_100010385794 [1,1,0,0,0,0|1,0,0]=3 206 B12R2.606 O=C1Cc2cnc(nc2N1)O 271570a_203496583355_100000086852 [1,1,0,0,0,0|1,0,1]=4 207 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [1,1,0,0,0,0|2,0,0]=4 208 B12R2.612 Cc1n[nH]c2c1cnc(c2)O 271570a_203496583355_100000700029 [1,1,0,0,0,0|1,0,0]=3 209 B12R2.612 Nc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100011934401 [1,1,0,0,0,0|2,0,0]=4 210 B12R2.612 O=c1[nH][nH]c2c1cnc(c2)O 271570a_203496583355_100016039622 [1,1,0,0,0,0|1,0,1]=4 211 B12R2.196 Cn1ccc2c1ccnc2O 271570a_203496583355_100000048735 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.196 Cn1ccc2c1nccc2O 271570a_203496583355_100010168893 [1,1,0,0,0,0|2,0,0]=4 213 B12R2.196 Cn1ccc2c1ncnc2O 271570a_203496583355_100000076352 [1,1,0,0,0,0|1,0,0]=3 214 B12R2.196 Cn1cnc2c1ncnc2O 271570a_203496583355_100000058137 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.196 Cn1ncc2c1cccc2O 271570a_203496583355_100009817161 [1,1,0,0,0,0|2,0,0]=4 216 B12R2.196 Cn1ncc2c1ccnc2O 271570a_203496583355_100015332818 [1,1,0,0,0,0|1,0,0]=3 217 B12R2.196 Cn1ncc2c1nccc2O 271570a_203496583355_100013479686 [1,1,0,0,0,0|1,0,0]=3 218 B12R2.196 Cn1ncc2c1ncnc2O 271570a_203496583355_100000242733 [1,1,0,0,0,0|0,0,0]=2 219 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.202 Cc1cc2c(ncnc2[nH]1)O 271570a_203496583355_100009847220 [1,1,0,0,0,0|1,0,0]=3 221 B12R2.202 Cc1cc2c(ncnc2s1)O 271570a_203496583355_100000753035 [1,1,0,0,0,0|2,0,0]=4 222 B12R2.203 Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100009849662 [1,1,0,0,0,0|2,0,0]=4 223 B12R2.203 Cc1c[nH]c2c1c(ncn2)O 271570a_203496583355_100000092391 [1,1,0,0,0,0|1,0,0]=3 224 B12R2.203 Cc1csc2c1c(ncn2)O 271570a_203496583355_100000040732 [1,1,0,0,0,0|2,0,0]=4 225 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [1,1,0,0,0,0|2,0,0]=4 226 B12R2.203 Cn1ncc2c1c(ncn2)O 271570a_203496583355_100000098498 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.203 Nc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100010212589 [1,1,0,0,0,0|2,0,0]=4 228 B12R2.203 Nc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100000049960 [1,1,0,0,0,0|2,0,0]=4 229 B12R2.203 Nc1ncnc2c1c(c[nH]2)O 271570a_203496583355_100010179808 [1,1,0,0,0,0|2,0,0]=4 230 B12R2.203 Nc1ncnc2c1c(n[nH]2)O 271570a_203496583355_100000049786 [1,1,0,0,0,0|1,0,0]=3 231 B12R2.203 O=c1[nH]cnc2c1c(n[nH]2)O 271570a_203496583355_100000751889 [1,1,0,0,0,0|0,0,2]=4 232 B12R2.203 Oc1c[nH]c2c1c(ncc2)O 271570a_203496583355_100010168626 [1,1,0,0,0,0|2,0,0]=4 233 B12R2.203 Oc1n[nH]c2c1c(ccn2)Cl 271570a_203496583355_100010090772 [1,1,0,0,0,0|2,0,0]=4 234 B12R2.203 Oc1n[nH]c2c1c(ncc2)Br 271570a_203496583355_100010370910 [1,1,0,0,0,0|2,0,0]=4 235 B12R2.221 Cc1ccc(c2c1[nH]nc2)O 271570a_203496583355_100009817120 [1,1,0,0,0,0|2,0,0]=4 236 B12R2.221 Cc1cnc(c2c1[nH]cc2)O 271570a_203496583355_100010244391 [1,1,0,0,0,0|2,0,0]=4 237 B12R2.221 Oc1ccc(c2c1cn[nH]2)F 271570a_203496583355_100010074603 [1,1,0,0,0,0|2,0,0]=4 238 B12R2.315 C=Cc1ccnc2c1cn[nH]2 271570a_100011290941_100009819725 [1,1,0,0,0,0|2,0,0]=4 239 B12R2.315 C=Cc1nccc2c1cn[nH]2 271570a_100011290941_100102525074 [1,1,0,0,0,0|2,0,0]=4 240 B12R2.315 C=Cc1ncnc2c1cn[nH]2 271570a_100011290941_100000735611 [1,1,0,0,0,0|1,0,0]=3 241 B12R2.315 CNc1ncnc2c1cn[nH]2 27a_100102657272_100000735611 [1,1,0,0,0,0|1,0,0]=3 242 B12R2.315 CSc1ncnc2c1cn[nH]2 62a_200000210301_100000735611 [1,1,0,0,0,0|0,1,0]=3 243 B12R2.315 [13CH3]Sc1ncnc2c1cn[nH]2 62a_200025704644_100000735611 [1,1,0,0,0,0|0,1,0]=3 244 B14R2.29365 Oc1cnc2c(nc(nc2c1)O)O 271570a_203496583355_100020641529 [0,1,0,0,0,1|2,0,0]=4 245 B14R2.628 C=C(C)c1nc(nc2c1cn[nH]2)C 271570a_100000694244_100000745003 [0,2,0,0,0,0|2,0,0]=4 246 B14R2.628 Cc1nc(c2cn[nH]c2n1)N(C)C 27a_100102631434_100000745003 [0,2,0,0,0,0|2,0,0]=4 247 B14R2.1101 C=Cc1nc(c2cn[nH]c2n1)OC 271570a_100011290941_200013070299 [0,2,0,0,0,0|1,0,0]=3 248 B14R2.1101 CNc1nc(c2cn[nH]c2n1)OC 27a_100102657272_200013070299 [0,2,0,0,0,0|1,0,0]=3 249 B14R2.1101 COc1nc(nc2c1cn[nH]2)SC 62a_200000210301_200013070299 [0,2,0,0,0,0|0,1,0]=3 250 B14R2.1101 COc1nc(nc2c1cn[nH]2)S[13CH3] 62a_200025704644_200013070299 [0,2,0,0,0,0|0,1,0]=3 251 B14R2.1938 C=Cc1nc(nc2c1cnn2C)C 271570a_100011290941_100000743007 [0,2,0,0,0,0|2,0,0]=4 252 B14R2.1938 C=Cc1nc(nc2c1cnn2C)N 271570a_100011290941_100000144275 [0,2,0,0,0,0|2,0,0]=4 253 B14R2.1938 CNc1nc(nc2c1cnn2C)C 27a_100102657272_100000743007 [0,2,0,0,0,0|2,0,0]=4 254 B14R2.1938 CNc1nc(nc2c1cnn2C)N 27a_100102657272_100000144275 [0,2,0,0,0,0|2,0,0]=4 255 B14R2.1938 CSc1nc(nc2c1cnn2C)C 62a_100000743007_200000210301 [0,2,0,0,0,0|1,1,0]=4 256 B14R2.1938 CSc1nc(nc2c1cnn2C)C 62a_200000210301_100000743007 [0,2,0,0,0,0|1,1,0]=4 257 B14R2.1938 CSc1nc(nc2c1cnn2C)N 62a_100000144275_200000210301 [0,2,0,0,0,0|1,1,0]=4 258 B14R2.1938 CSc1nc(nc2c1cnn2C)N 62a_200000210301_100000144275 [0,2,0,0,0,0|1,1,0]=4 259 B14R2.1938 Cc1nc(c2cnn(c2n1)C)S[13CH3] 62a_100000743007_200025704644 [0,2,0,0,0,0|1,1,0]=4 260 B14R2.1938 Cc1nc(c2cnn(c2n1)C)S[13CH3] 62a_200025704644_100000743007 [0,2,0,0,0,0|1,1,0]=4 261 B14R2.1938 Cn1ncc2c1nc(nc2S[13CH3])N 62a_100000144275_200025704644 [0,2,0,0,0,0|1,1,0]=4 262 B14R2.1938 Cn1ncc2c1nc(nc2S[13CH3])N 62a_200025704644_100000144275 [0,2,0,0,0,0|1,1,0]=4 263 B14R2.3104 C=C=Cc1nc(nc2c1cn[nH]2)C 271570a_100015277604_100000745003 [0,2,0,0,0,0|2,0,0]=4 264 B14R2.3104 CC=Cc1nc(nc2c1cn[nH]2)C 271570a_100016259895_100000745003 [0,2,0,0,0,0|2,0,0]=4 265 B14R2.3104 CCNc1nc(nc2c1cn[nH]2)C 27a_100015525214_100000745003 [0,2,0,0,0,0|2,0,0]=4 266 B14R2.3104 CCSc1nc(nc2c1cn[nH]2)C 62a_100000210202_100000745003 [0,2,0,0,0,0|1,1,0]=4 267 B14R2.3104 CCSc1nc(nc2c1cn[nH]2)C 62a_100000745003_100000210202 [0,2,0,0,0,0|1,1,0]=4 268 B14R2.3104 Cc1nc(c2cn[nH]c2n1)SCF 62a_100000745003_100015361967 [0,2,0,0,0,0|1,1,0]=4 269 B14R2.3104 Cc1nc(c2cn[nH]c2n1)SCF 62a_100015361967_100000745003 [0,2,0,0,0,0|1,1,0]=4 270 B14R2.587 C=C=Cc1nc(c2cn[nH]c2n1)N 271570a_100015277604_100000696086 [0,2,0,0,0,0|2,0,0]=4 271 B14R2.587 CC=Cc1nc(c2cn[nH]c2n1)N 271570a_100016259895_100000696086 [0,2,0,0,0,0|2,0,0]=4 272 B14R2.587 CCNc1nc(c2cn[nH]c2n1)N 27a_100015525214_100000696086 [0,2,0,0,0,0|2,0,0]=4 273 B14R2.587 CCSc1nc(c2cn[nH]c2n1)N 62a_100000210202_100000696086 [0,2,0,0,0,0|1,1,0]=4 274 B14R2.587 Nc1nc(nc2c1cn[nH]2)SCF 62a_100015361967_100000696086 [0,2,0,0,0,0|1,1,0]=4 275 B14R2.8824 C=C(C)c1nc(c2cn[nH]c2n1)N 271570a_100000694244_100000696086 [0,2,0,0,0,0|2,0,0]=4 276 B14R2.8824 CN(C)c1nc(c2cn[nH]c2n1)N 27a_100102631434_100000696086 [0,2,0,0,0,0|2,0,0]=4 277 B14R2.12158 C=Cc1n[nH]c2c1c(nc(n2)N)N 271570a_100011290941_100010293082 [0,2,0,0,0,0|2,0,0]=4 278 B14R2.12158 CSc1n[nH]c2c1c(nc(n2)Cl)Cl 62a_200000210301_100010259956 [0,2,0,0,0,0|2,0,0]=4 279 B14R2.12158 CSc1n[nH]c2c1c(nc(n2)N)N 62a_100010293082_200000210301 [0,2,0,0,0,0|2,0,0]=4 280 B14R2.12158 [13CH3]Sc1n[nH]c2c1c(nc(n2)Cl)Cl 62a_200025704644_100010259956 [0,2,0,0,0,0|2,0,0]=4 281 B14R2.12158 [13CH3]Sc1n[nH]c2c1c(nc(n2)N)N 62a_100010293082_200025704644 [0,2,0,0,0,0|2,0,0]=4 282 B12R2.6 Cc1nc(no1)c2cn[nH]c2 270196a_100000699142_100000070787 [0,0,1,1,0,0|2,0,0]=4 283 B12R2.6 Cc1nc(no1)c2cn[nH]c2 271570a_100000041997_100012003639 [0,0,1,1,0,0|2,0,0]=4 284 B12R2.6 Cc1nsc(n1)c2cn[nH]c2 271570a_100000041997_100000709739 [0,0,1,1,0,0|1,1,0]=4 285 B12R2.6 Oc1nc(no1)c2cn[nH]c2 270196a_100000699142_100015183105 [0,0,1,1,0,0|2,0,0]=4 286 B12R2.1081 Oc1ccnc2c1cncc2 271570a_203496583355_100000095135 [1,0,0,0,0,1|2,0,0]=4 287 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [1,0,0,0,0,1|2,0,0]=4 288 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [1,0,0,0,0,1|2,0,0]=4 289 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [1,0,0,0,0,1|1,0,1]=4 290 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [1,0,0,0,0,1|1,0,0]=3