0 B16R2.27401 C=C(C)C=NNc1ncnc2c1[nH]cn2 4a_100000743131_100000210575 [0,0,0,0,0,0|1,0,3]=4 1 B16R2.27401 C=C(C)C=NNc1ncnc2c1ccs2 4a_100000185024_100000210575 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.27401 C=C(C)C=NNc1ncnc2c1scc2 4a_100000760892_100000210575 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.27401 C=C(C)CCSc1ccnc2c1nc[nH]2 62a_100000730704_100009820729 [0,0,0,0,0,0|2,0,2]=4 4 B16R2.27401 C=C(C)CCSc1nccc2c1nc[nH]2 62a_100000730704_100009820035 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.27401 C=C(C)CCSc1ncnc2c1ncs2 62a_100000730704_100009860286 [0,0,0,0,0,0|2,0,2]=4 6 B16R2.27401 CC(=CCNc1cccc2c1ccs2)C 34a_100020628958_100000761012 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.27401 CC(=CCNc1cccc2c1nco2)C 34a_100000717946_100000761012 [0,0,0,0,0,0|3,0,0]=3 8 B16R2.27401 CC(=CCNc1cccc2c1non2)C 27a_100000718196_100009820244 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.27401 CC(=CCNc1cccc2c1nsn2)C 27a_100000718196_100000742359 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.27401 CC(=CCNc1cccc2c1scn2)C 34a_100000099145_100000761012 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.27401 CC(=CCNc1cccc2n1ncn2)C 27a_100000718196_100009819724 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.27401 CC(=CCNc1cccn2c1ncn2)C 27a_100000718196_100009819722 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.27401 CC(=CCNc1ccnc2c1CCC2)C 27a_100000718196_100000102697 [0,0,0,0,0,0|3,0,1]=4 14 B16R2.27401 CC(=CCNc1ccnc2c1[nH]nc2)C 27a_100000718196_100000112858 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.27401 CC(=CCNc1ccnc2c1ccs2)C 27a_100000718196_100009861243 [0,0,0,0,0,0|3,0,0]=3 16 B16R2.27401 CC(=CCNc1ccnc2c1nc[nH]2)C 27a_100000718196_100009820729 [0,0,0,0,0,0|1,0,0]=1 17 B16R2.27401 CC(=CCNc1ccnc2c1nn[nH]2)C 27a_100000718196_100009853804 [0,0,0,0,0,0|2,0,0]=2 18 B16R2.27401 CC(=CCNc1ccnc2c1scc2)C 27a_100000718196_100000764135 [0,0,0,0,0,0|3,0,0]=3 19 B16R2.27401 CC(=CCNc1ccnc2n1ncc2)C 27a_100000718196_100000080991 [0,0,0,0,0,0|3,0,0]=3 20 B16R2.27401 CC(=CCNc1nc[nH]c-2nccc12)C 27a_100000718196_100015350423 [0,0,0,0,0,0|1,0,2]=3 21 B16R2.27401 CC(=CCNc1nccc2c1[nH]nc2)C 27a_100000718196_100009852419 [0,0,0,0,0,0|3,0,1]=4 22 B16R2.27401 CC(=CCNc1nccc2c1c[nH]n2)C 27a_100000718196_100020876377 [0,0,0,0,0,0|3,0,1]=4 23 B16R2.27401 CC(=CCNc1nccc2c1cco2)C 27a_100000718196_100000041166 [0,0,0,0,0,0|3,0,0]=3 24 B16R2.27401 CC(=CCNc1nccc2c1ccs2)C 27a_100000718196_100000047778 [0,0,0,0,0,0|3,0,0]=3 25 B16R2.27401 CC(=CCNc1nccc2c1scc2)C 27a_100000718196_100000117209 [0,0,0,0,0,0|3,0,0]=3 26 B16R2.27401 CC(=CCNc1nccn2c1ccc2)C 27a_100000718196_100000094558 [0,0,0,0,0,0|4,0,0]=4 27 B16R2.27401 CC(=CCNc1nccn2c1ccn2)C 27a_100000718196_100009846796 [0,0,0,0,0,0|3,0,1]=4 28 B16R2.27401 CC(=CCNc1nccn2c1ncc2)C 27a_100000718196_102495338505 [0,0,0,0,0,0|3,0,0]=3 29 B16R2.27401 CC(=CCNc1nccn2c1ncn2)C 27a_100000718196_100000094309 [0,0,0,0,0,0|2,0,1]=3 30 B16R2.27401 CC(=CCNc1nccn2c1nnc2)C 27a_100000718196_100000757256 [0,0,0,0,0,0|4,0,0]=4 31 B16R2.27401 CC(=CCNc1ncnc2c1CCC2)C 27a_100000718196_100000750143 [0,0,0,0,0,0|2,0,1]=3 32 B16R2.27401 CC(=CCNc1ncnc2c1CCN2)C 27a_100000718196_200000104052 [0,0,0,0,0,0|1,0,1]=2 33 B16R2.27401 CC(=CCNc1ncnc2c1[nH]cc2)C 27a_100000718196_100000084117 [0,0,0,0,0,0|1,0,1]=2 34 B16R2.27401 CC(=CCNc1ncnc2c1[nH]cn2)C 27a_100000718196_100011215200 [0,0,0,0,0,0|0,0,2]=2 35 B16R2.27401 CC(=CCNc1ncnc2c1cco2)C 27a_100000718196_100000094286 [0,0,0,0,0,0|2,0,0]=2 36 B16R2.27401 CC(=CCNc1ncnc2c1ccs2)C 27a_100000718196_100000183654 [0,0,0,0,0,0|2,0,0]=2 37 B16R2.27401 CC(=CCNc1ncnc2c1cn[nH]2)C 27a_100000718196_100000735611 [0,0,0,0,0,0|2,0,0]=2 38 B16R2.27401 CC(=CCNc1ncnc2c1ncs2)C 27a_100000718196_100009860286 [0,0,0,0,0,0|1,0,0]=1 39 B16R2.27401 CC(=CCNc1ncnc2c1scc2)C 27a_100000718196_100000234879 [0,0,0,0,0,0|2,0,0]=2 40 B16R2.27401 CC(=CCNc1ncnn2c1ccc2)C 27a_100000718196_100000104113 [0,0,0,0,0,0|3,0,0]=3 41 B16R2.27401 CC(=CCOc1cccc2c1cc[nH]2)C 34a_100000763377_100000761012 [0,0,0,0,0,0|4,0,0]=4 42 B16R2.27401 CC(=CCOc1cccc2c1ncs2)C 34a_100000101385_100000761012 [0,0,0,0,0,0|4,0,0]=4 43 B16R2.27401 CC(=CCOc1cccc2c1ncs2)C 7a_100000101385_100000761012 [0,0,0,0,0,0|4,0,0]=4 44 B16R2.27401 CC(=CCOc1ccnc2c1scc2)C 34a_100000759877_100000761012 [0,0,0,0,0,0|4,0,0]=4 45 B16R2.27401 CC(=CCSc1cccc2c1cc[nH]2)C 62a_100000761012_100000685724 [0,0,0,0,0,0|4,0,0]=4 46 B16R2.27401 CC(=CCSc1cccc2c1nc[nH]2)C 62a_100000761012_100011935113 [0,0,0,0,0,0|3,0,0]=3 47 B16R2.27401 CC(=CCSc1cccc2c1nco2)C 62a_100000761012_100009816834 [0,0,0,0,0,0|4,0,0]=4 48 B16R2.27401 CC(=CCSc1cccc2c1ncs2)C 62a_100000761012_100000726125 [0,0,0,0,0,0|4,0,0]=4 49 B16R2.27401 CC(=CCSc1ccnc2c1[nH]cc2)C 62a_100000761012_100000087553 [0,0,0,0,0,0|3,0,1]=4 50 B16R2.27401 CC(=CCSc1ccnc2c1cc[nH]2)C 62a_100000761012_100000766882 [0,0,0,0,0,0|3,0,0]=3 51 B16R2.27401 CC(=CCSc1ccnc2c1ccs2)C 62a_100000761012_100009861243 [0,0,0,0,0,0|4,0,0]=4 52 B16R2.27401 CC(=CCSc1ccnc2c1nc[nH]2)C 62a_100000761012_100009820729 [0,0,0,0,0,0|2,0,0]=2 53 B16R2.27401 CC(=CCSc1ccnc2c1nn[nH]2)C 62a_100000761012_100009853804 [0,0,0,0,0,0|3,0,0]=3 54 B16R2.27401 CC(=CCSc1ccnc2c1occ2)C 62a_100000761012_100009853057 [0,0,0,0,0,0|4,0,0]=4 55 B16R2.27401 CC(=CCSc1ccnc2c1scc2)C 62a_100000761012_100000764135 [0,0,0,0,0,0|4,0,0]=4 56 B16R2.27401 CC(=CCSc1ccnc2n1ncc2)C 62a_100000761012_100000080991 [0,0,0,0,0,0|4,0,0]=4 57 B16R2.27401 CC(=CCSc1nc[nH]c-2nccc12)C 62a_100000761012_100015350423 [0,0,0,0,0,0|2,0,2]=4 58 B16R2.27401 CC(=CCSc1nccc2c1CCN2)C 62a_100000104060_100000761012 [0,0,0,0,0,0|3,0,1]=4 59 B16R2.27401 CC(=CCSc1nccc2c1CCN2)C 62a_100000761012_100000104060 [0,0,0,0,0,0|3,0,1]=4 60 B16R2.27401 CC(=CCSc1nccc2c1[nH]cc2)C 62a_100000761012_100000060748 [0,0,0,0,0,0|3,0,1]=4 61 B16R2.27401 CC(=CCSc1nccc2c1cc[nH]2)C 62a_100000761012_100000086534 [0,0,0,0,0,0|3,0,0]=3 62 B16R2.27401 CC(=CCSc1nccc2c1cco2)C 62a_100000761012_100000041166 [0,0,0,0,0,0|4,0,0]=4 63 B16R2.27401 CC(=CCSc1nccc2c1ccs2)C 62a_100000761012_100000047778 [0,0,0,0,0,0|4,0,0]=4 64 B16R2.27401 CC(=CCSc1nccc2c1nc[nH]2)C 62a_100000761012_100009820035 [0,0,0,0,0,0|2,0,0]=2 65 B16R2.27401 CC(=CCSc1nccc2c1scc2)C 62a_100000761012_100000117209 [0,0,0,0,0,0|4,0,0]=4 66 B16R2.27401 CC(=CCSc1nccn2c1ncc2)C 62a_100000761012_102495338505 [0,0,0,0,0,0|4,0,0]=4 67 B16R2.27401 CC(=CCSc1nccn2c1ncn2)C 62a_100000761012_100000094309 [0,0,0,0,0,0|3,0,1]=4 68 B16R2.27401 CC(=CCSc1ncnc2c1CCC2)C 62a_100000750143_100000761012 [0,0,0,0,0,0|3,0,1]=4 69 B16R2.27401 CC(=CCSc1ncnc2c1CCC2)C 62a_100000761012_100000750143 [0,0,0,0,0,0|3,0,1]=4 70 B16R2.27401 CC(=CCSc1ncnc2c1CCN2)C 62a_100000761012_200000104052 [0,0,0,0,0,0|2,0,1]=3 71 B16R2.27401 CC(=CCSc1ncnc2c1CCN2)C 62a_200000104052_100000761012 [0,0,0,0,0,0|2,0,1]=3 72 B16R2.27401 CC(=CCSc1ncnc2c1[nH]cc2)C 62a_100000761012_100000084117 [0,0,0,0,0,0|2,0,1]=3 73 B16R2.27401 CC(=CCSc1ncnc2c1[nH]cn2)C 62a_100000761012_100011215200 [0,0,0,0,0,0|1,0,2]=3 74 B16R2.27401 CC(=CCSc1ncnc2c1cco2)C 62a_100000761012_100000094286 [0,0,0,0,0,0|3,0,0]=3 75 B16R2.27401 CC(=CCSc1ncnc2c1ccs2)C 62a_100000761012_100000183654 [0,0,0,0,0,0|3,0,0]=3 76 B16R2.27401 CC(=CCSc1ncnc2c1cn[nH]2)C 62a_100000761012_100000735611 [0,0,0,0,0,0|3,0,0]=3 77 B16R2.27401 CC(=CCSc1ncnc2c1ncs2)C 62a_100000761012_100009860286 [0,0,0,0,0,0|2,0,0]=2 78 B16R2.27401 CC(=CCSc1ncnc2c1scc2)C 62a_100000761012_100000234879 [0,0,0,0,0,0|3,0,0]=3 79 B16R2.27401 CC(=CCSc1ncnn2c1ccc2)C 62a_100000761012_100000104113 [0,0,0,0,0,0|4,0,0]=4 80 B16R2.27401 CC(=O)CCSc1ccnc2c1nc[nH]2 62a_100000053229_100009820729 [0,0,0,0,0,0|3,0,1]=4 81 B16R2.27401 CC(=O)CCSc1nccc2c1nc[nH]2 62a_100000053229_100009820035 [0,0,0,0,0,0|3,0,1]=4 82 B16R2.27401 CC(=O)CCSc1ncnc2c1ncs2 62a_100000053229_100009860286 [0,0,0,0,0,0|3,0,1]=4 83 B16R2.27401 CC(=O)OCSc1ccnc2c1nc[nH]2 62a_100000076356_100009820729 [0,0,0,0,0,0|4,0,0]=4 84 B16R2.27401 CC(=O)OCSc1nccc2c1nc[nH]2 62a_100000076356_100009820035 [0,0,0,0,0,0|4,0,0]=4 85 B16R2.27401 CC(=O)OCSc1ncnc2c1ncs2 62a_100000076356_100009860286 [0,0,0,0,0,0|4,0,0]=4 86 B16R2.27401 CC(C)C=NNc1ncnc2c1[nH]cn2 4a_100000743131_100000210432 [0,0,0,0,0,0|1,0,3]=4 87 B16R2.27401 CC(C)C=NNc1ncnc2c1ccs2 4a_100000185024_100000210432 [0,0,0,0,0,0|3,0,1]=4 88 B16R2.27401 CC(C)C=NNc1ncnc2c1scc2 4a_100000760892_100000210432 [0,0,0,0,0,0|3,0,1]=4 89 B16R2.27401 CC(C)CCNc1ccnc2c1nc[nH]2 27a_100000210545_100009820729 [0,0,0,0,0,0|1,0,2]=3 90 B16R2.27401 CC(C)CCNc1ccnc2c1nn[nH]2 27a_100000210545_100009853804 [0,0,0,0,0,0|2,0,2]=4 91 B16R2.27401 CC(C)CCNc1ncnc2c1CCN2 27a_100000210545_200000104052 [0,0,0,0,0,0|1,0,3]=4 92 B16R2.27401 CC(C)CCNc1ncnc2c1[nH]cc2 27a_100000210545_100000084117 [0,0,0,0,0,0|1,0,3]=4 93 B16R2.27401 CC(C)CCNc1ncnc2c1[nH]cn2 27a_100000210545_100011215200 [0,0,0,0,0,0|0,0,4]=4 94 B16R2.27401 CC(C)CCNc1ncnc2c1cco2 27a_100000210545_100000094286 [0,0,0,0,0,0|2,0,2]=4 95 B16R2.27401 CC(C)CCNc1ncnc2c1ccs2 27a_100000210545_100000183654 [0,0,0,0,0,0|2,0,2]=4 96 B16R2.27401 CC(C)CCNc1ncnc2c1cn[nH]2 27a_100000210545_100000735611 [0,0,0,0,0,0|2,0,2]=4 97 B16R2.27401 CC(C)CCNc1ncnc2c1ncs2 27a_100000210545_100009860286 [0,0,0,0,0,0|1,0,2]=3 98 B16R2.27401 CC(C)CCNc1ncnc2c1scc2 27a_100000210545_100000234879 [0,0,0,0,0,0|2,0,2]=4 99 B16R2.27401 CC(C)CCSc1ccnc2c1nc[nH]2 62a_100000210312_100009820729 [0,0,0,0,0,0|2,0,2]=4 100 B16R2.27401 CC(C)CCSc1nccc2c1nc[nH]2 62a_100000210312_100009820035 [0,0,0,0,0,0|2,0,2]=4 101 B16R2.27401 CC(C)CCSc1ncnc2c1ncs2 62a_100000210312_100009860286 [0,0,0,0,0,0|2,0,2]=4 102 B16R2.27401 CC(C)OCSc1ccnc2c1nc[nH]2 62a_100000709892_100009820729 [0,0,0,0,0,0|3,0,1]=4 103 B16R2.27401 CC(C)OCSc1nccc2c1nc[nH]2 62a_100000709892_100009820035 [0,0,0,0,0,0|3,0,1]=4 104 B16R2.27401 CC(C)OCSc1ncnc2c1ncs2 62a_100000709892_100009860286 [0,0,0,0,0,0|3,0,1]=4 105 B16R2.27401 CC(O)CCNc1ccnc2c1nc[nH]2 27a_200000755665_100009820729 [0,0,0,0,0,0|2,0,2]=4 106 B16R2.27401 CC(O)CCNc1ncnc2c1ncs2 27a_200000755665_100009860286 [0,0,0,0,0,0|2,0,2]=4 107 B16R2.27401 CN(C)CCNc1ccnc2c1nc[nH]2 27a_100000210585_100009820729 [0,0,0,0,0,0|2,0,1]=3 108 B16R2.27401 CN(C)CCNc1ccnc2c1nn[nH]2 27a_100000210585_100009853804 [0,0,0,0,0,0|3,0,1]=4 109 B16R2.27401 CN(C)CCNc1ncnc2c1CCN2 27a_100000210585_200000104052 [0,0,0,0,0,0|2,0,2]=4 110 B16R2.27401 CN(C)CCNc1ncnc2c1[nH]cc2 27a_100000210585_100000084117 [0,0,0,0,0,0|2,0,2]=4 111 B16R2.27401 CN(C)CCNc1ncnc2c1[nH]cn2 27a_100000210585_100011215200 [0,0,0,0,0,0|1,0,3]=4 112 B16R2.27401 CN(C)CCNc1ncnc2c1cco2 27a_100000210585_100000094286 [0,0,0,0,0,0|3,0,1]=4 113 B16R2.27401 CN(C)CCNc1ncnc2c1ccs2 27a_100000210585_100000183654 [0,0,0,0,0,0|3,0,1]=4 114 B16R2.27401 CN(C)CCNc1ncnc2c1cn[nH]2 27a_100000210585_100000735611 [0,0,0,0,0,0|3,0,1]=4 115 B16R2.27401 CN(C)CCNc1ncnc2c1ncs2 27a_100000210585_100009860286 [0,0,0,0,0,0|2,0,1]=3 116 B16R2.27401 CN(C)CCNc1ncnc2c1scc2 27a_100000210585_100000234879 [0,0,0,0,0,0|3,0,1]=4 117 B16R2.27401 NC(=O)CCNc1ccnc2c1nc[nH]2 27a_100000740010_100009820729 [0,0,0,0,0,0|3,0,1]=4 118 B16R2.27401 NC(=O)CCNc1ncnc2c1ncs2 27a_100000740010_100009860286 [0,0,0,0,0,0|3,0,1]=4 119 B15R2.4278 C/C=C/CNc1cccc2c1nco2 34a_100000717946_100102629194 [1,0,0,0,0,0|3,0,0]=4 120 B15R2.4278 C/C=C/CSc1cccc2c1nc[nH]2 62a_100102629194_100011935113 [1,0,0,0,0,0|3,0,0]=4 121 B15R2.4278 C/C=C/CSc1ccnc2c1cc[nH]2 62a_100102629194_100000766882 [1,0,0,0,0,0|3,0,0]=4 122 B15R2.4278 C/C=C/CSc1ccnc2c1nc[nH]2 62a_100102629194_100009820729 [1,0,0,0,0,0|2,0,0]=3 123 B15R2.4278 C/C=C/CSc1ccnc2c1nn[nH]2 62a_100102629194_100009853804 [1,0,0,0,0,0|3,0,0]=4 124 B15R2.4278 C/C=C/CSc1nccc2c1cc[nH]2 62a_100102629194_100000086534 [1,0,0,0,0,0|3,0,0]=4 125 B15R2.4278 C/C=C/CSc1nccc2c1nc[nH]2 62a_100102629194_100009820035 [1,0,0,0,0,0|2,0,0]=3 126 B15R2.4278 C/C=C/CSc1ncnc2c1CCN2 62a_100102629194_200000104052 [1,0,0,0,0,0|2,0,1]=4 127 B15R2.4278 C/C=C/CSc1ncnc2c1CCN2 62a_200000104052_100102629194 [1,0,0,0,0,0|2,0,1]=4 128 B15R2.4278 C/C=C/CSc1ncnc2c1[nH]cc2 62a_100102629194_100000084117 [1,0,0,0,0,0|2,0,1]=4 129 B15R2.4278 C/C=C/CSc1ncnc2c1[nH]cn2 62a_100102629194_100011215200 [1,0,0,0,0,0|1,0,2]=4 130 B15R2.4278 C/C=C/CSc1ncnc2c1cco2 62a_100102629194_100000094286 [1,0,0,0,0,0|3,0,0]=4 131 B15R2.4278 C/C=C/CSc1ncnc2c1ccs2 62a_100102629194_100000183654 [1,0,0,0,0,0|3,0,0]=4 132 B15R2.4278 C/C=C/CSc1ncnc2c1cn[nH]2 62a_100102629194_100000735611 [1,0,0,0,0,0|3,0,0]=4 133 B15R2.4278 C/C=C/CSc1ncnc2c1ncs2 62a_100102629194_100009860286 [1,0,0,0,0,0|2,0,0]=3 134 B15R2.4278 C/C=C/CSc1ncnc2c1scc2 62a_100102629194_100000234879 [1,0,0,0,0,0|3,0,0]=4 135 B15R2.4278 C=CCCNc1ccnc2c1nc[nH]2 27a_100015191253_100009820729 [1,0,0,0,0,0|1,0,2]=4 136 B15R2.4278 C=CCCNc1ncnc2c1ncs2 27a_100015191253_100009860286 [1,0,0,0,0,0|1,0,2]=4 137 B15R2.4278 CC#CCNc1ccnc2c1nc[nH]2 27a_100000685387_100009820729 [1,0,0,0,0,0|1,0,2]=4 138 B15R2.4278 CC#CCNc1ncnc2c1ncs2 27a_100000685387_100009860286 [1,0,0,0,0,0|1,0,2]=4 139 B15R2.4278 CC=CCNc1cccc2c1nco2 34a_100000717946_100000070051 [1,0,0,0,0,0|3,0,0]=4 140 B15R2.4278 CC=CCSc1cccc2c1nc[nH]2 62a_100000070051_100011935113 [1,0,0,0,0,0|3,0,0]=4 141 B15R2.4278 CC=CCSc1ccnc2c1cc[nH]2 62a_100000070051_100000766882 [1,0,0,0,0,0|3,0,0]=4 142 B15R2.4278 CC=CCSc1ccnc2c1nc[nH]2 62a_100000070051_100009820729 [1,0,0,0,0,0|2,0,0]=3 143 B15R2.4278 CC=CCSc1ccnc2c1nn[nH]2 62a_100000070051_100009853804 [1,0,0,0,0,0|3,0,0]=4 144 B15R2.4278 CC=CCSc1nccc2c1cc[nH]2 62a_100000070051_100000086534 [1,0,0,0,0,0|3,0,0]=4 145 B15R2.4278 CC=CCSc1nccc2c1nc[nH]2 62a_100000070051_100009820035 [1,0,0,0,0,0|2,0,0]=3 146 B15R2.4278 CC=CCSc1ncnc2c1CCN2 62a_100000070051_200000104052 [1,0,0,0,0,0|2,0,1]=4 147 B15R2.4278 CC=CCSc1ncnc2c1CCN2 62a_200000104052_100000070051 [1,0,0,0,0,0|2,0,1]=4 148 B15R2.4278 CC=CCSc1ncnc2c1[nH]cc2 62a_100000070051_100000084117 [1,0,0,0,0,0|2,0,1]=4 149 B15R2.4278 CC=CCSc1ncnc2c1[nH]cn2 62a_100000070051_100011215200 [1,0,0,0,0,0|1,0,2]=4 150 B15R2.4278 CC=CCSc1ncnc2c1cco2 62a_100000070051_100000094286 [1,0,0,0,0,0|3,0,0]=4 151 B15R2.4278 CC=CCSc1ncnc2c1ccs2 62a_100000070051_100000183654 [1,0,0,0,0,0|3,0,0]=4 152 B15R2.4278 CC=CCSc1ncnc2c1cn[nH]2 62a_100000070051_100000735611 [1,0,0,0,0,0|3,0,0]=4 153 B15R2.4278 CC=CCSc1ncnc2c1ncs2 62a_100000070051_100009860286 [1,0,0,0,0,0|2,0,0]=3 154 B15R2.4278 CC=CCSc1ncnc2c1scc2 62a_100000070051_100000234879 [1,0,0,0,0,0|3,0,0]=4 155 B15R2.4278 CCCCNc1ccnc2c1nc[nH]2 27a_100000102301_100009820729 [1,0,0,0,0,0|1,0,2]=4 156 B15R2.4278 CCCCNc1ncnc2c1ncs2 27a_100000102301_100009860286 [1,0,0,0,0,0|1,0,2]=4 157 B15R2.4278 COCCNc1ccnc2c1nc[nH]2 27a_100000209980_100009820729 [1,0,0,0,0,0|2,0,1]=4 158 B15R2.4278 COCCNc1ncnc2c1ncs2 27a_100000209980_100009860286 [1,0,0,0,0,0|2,0,1]=4 159 B15R2.4278 CSCCNc1ccnc2c1nc[nH]2 27a_100020590264_100009820729 [1,0,0,0,0,0|2,0,1]=4 160 B15R2.4278 CSCCNc1ncnc2c1ncs2 27a_100020590264_100009860286 [1,0,0,0,0,0|2,0,1]=4 161 B17R2.11 C=C(C)CCSc1ncnc2c1ncn2C 62a_100000730704_100000058137 [0,1,0,0,0,0|1,0,2]=4 162 B17R2.11 CC(=CCNc1cccc2c1ccn2C)C 34a_100000750317_100000761012 [0,1,0,0,0,0|3,0,0]=4 163 B17R2.11 CC(=CCNc1ccnc2c1ccn2C)C 27a_100000718196_100010168893 [0,1,0,0,0,0|2,0,0]=3 164 B17R2.11 CC(=CCNc1ccnc2c1cnn2C)C 27a_100000718196_100013479686 [0,1,0,0,0,0|3,0,0]=4 165 B17R2.11 CC(=CCNc1nccc2c1ccn2C)C 27a_100000718196_100000048735 [0,1,0,0,0,0|2,0,0]=3 166 B17R2.11 CC(=CCNc1nccc2c1cnn2C)C 27a_100000718196_100015332818 [0,1,0,0,0,0|3,0,0]=4 167 B17R2.11 CC(=CCNc1nccc2c1ncn2C)C 27a_100000718196_100000075535 [0,1,0,0,0,0|1,0,0]=2 168 B17R2.11 CC(=CCNc1ncnc2c1ccn2C)C 27a_100000718196_100000076352 [0,1,0,0,0,0|1,0,0]=2 169 B17R2.11 CC(=CCNc1ncnc2c1cnn2C)C 27a_100000718196_100000242733 [0,1,0,0,0,0|2,0,0]=3 170 B17R2.11 CC(=CCNc1ncnc2c1ncn2C)C 27a_100000718196_100000058137 [0,1,0,0,0,0|0,0,0]=1 171 B17R2.11 CC(=CCNc1ncnc2c1scc2C)C 27a_100000718196_100000041020 [0,1,0,0,0,0|2,0,0]=3 172 B17R2.11 CC(=CCSc1cccc2c1ncn2C)C 62a_100000761012_100000696766 [0,1,0,0,0,0|3,0,0]=4 173 B17R2.11 CC(=CCSc1ccnc2c1ccn2C)C 62a_100000761012_100010168893 [0,1,0,0,0,0|3,0,0]=4 174 B17R2.11 CC(=CCSc1nccc2c1ccn2C)C 62a_100000761012_100000048735 [0,1,0,0,0,0|3,0,0]=4 175 B17R2.11 CC(=CCSc1nccc2c1ncn2C)C 62a_100000761012_100000075535 [0,1,0,0,0,0|2,0,0]=3 176 B17R2.11 CC(=CCSc1ncnc2c1ccn2C)C 62a_100000761012_100000076352 [0,1,0,0,0,0|2,0,0]=3 177 B17R2.11 CC(=CCSc1ncnc2c1cnn2C)C 62a_100000761012_100000242733 [0,1,0,0,0,0|3,0,0]=4 178 B17R2.11 CC(=CCSc1ncnc2c1ncn2C)C 62a_100000761012_100000058137 [0,1,0,0,0,0|1,0,0]=2 179 B17R2.11 CC(=CCSc1ncnc2c1scc2C)C 62a_100000761012_100000041020 [0,1,0,0,0,0|3,0,0]=4 180 B17R2.11 CC(=O)CCSc1ncnc2c1ncn2C 62a_100000053229_100000058137 [0,1,0,0,0,0|2,0,1]=4 181 B17R2.11 CC(=O)OCSc1ncnc2c1ncn2C 62a_100000076356_100000058137 [0,1,0,0,0,0|3,0,0]=4 182 B17R2.11 CC(C)CCNc1nccc2c1ncn2C 27a_100000210545_100000075535 [0,1,0,0,0,0|1,0,2]=4 183 B17R2.11 CC(C)CCNc1ncnc2c1ccn2C 27a_100000210545_100000076352 [0,1,0,0,0,0|1,0,2]=4 184 B17R2.11 CC(C)CCNc1ncnc2c1ncn2C 27a_100000210545_100000058137 [0,1,0,0,0,0|0,0,2]=3 185 B17R2.11 CC(C)CCSc1ncnc2c1ncn2C 62a_100000210312_100000058137 [0,1,0,0,0,0|1,0,2]=4 186 B17R2.11 CC(C)OCSc1ncnc2c1ncn2C 62a_100000709892_100000058137 [0,1,0,0,0,0|2,0,1]=4 187 B17R2.11 CC(O)CCNc1ncnc2c1ncn2C 27a_200000755665_100000058137 [0,1,0,0,0,0|1,0,2]=4 188 B17R2.11 CN(C)CCNc1nccc2c1ncn2C 27a_100000210585_100000075535 [0,1,0,0,0,0|2,0,1]=4 189 B17R2.11 CN(C)CCNc1ncnc2c1ccn2C 27a_100000210585_100000076352 [0,1,0,0,0,0|2,0,1]=4 190 B17R2.11 CN(C)CCNc1ncnc2c1ncn2C 27a_100000210585_100000058137 [0,1,0,0,0,0|1,0,1]=3 191 B17R2.11 Cn1cnc2c1ncnc2NCCC(=O)N 27a_100000740010_100000058137 [0,1,0,0,0,0|2,0,1]=4 192 B17R2.4967 C=C(C)CCSc1nc(nc2c1nc[nH]2)F 62a_100000730704_100000061921 [0,1,0,0,0,0|1,0,2]=4 193 B17R2.4967 CC(=CCNc1cc(cc2c1cc[nH]2)F)C 34a_100000085186_100000761012 [0,1,0,0,0,0|3,0,0]=4 194 B17R2.4967 CC(=CCNc1cc(nc2c1cn[nH]2)F)C 27a_100000718196_103551249018 [0,1,0,0,0,0|3,0,0]=4 195 B17R2.4967 CC(=CCNc1cc(nc2n1ncn2)C)C 27a_100000718196_100000195393 [0,1,0,0,0,0|2,0,1]=4 196 B17R2.4967 CC(=CCNc1nc([nH]c-2nccc12)N)C 27a_100000718196_100000068727 [0,1,0,0,0,0|1,0,2]=4 197 B17R2.4967 CC(=CCNc1nc(nc2c1CCC2)C)C 27a_100000718196_100011240833 [0,1,0,0,0,0|2,0,1]=4 198 B17R2.4967 CC(=CCNc1nc(nc2c1[nH]cn2)N)C 27a_100000718196_100000764887 [0,1,0,0,0,0|0,0,2]=3 199 B17R2.4967 CC(=CCNc1nc(nc2c1c[nH]n2)N)C 27a_100000718196_100000068426 [0,1,0,0,0,0|2,0,1]=4 200 B17R2.4967 CC(=CCNc1nc(nc2c1cc[nH]2)C)C 27a_100000718196_100000092993 [0,1,0,0,0,0|1,0,0]=2 201 B17R2.4967 CC(=CCNc1nc(nc2c1ccs2)C)C 27a_100000718196_100000183124 [0,1,0,0,0,0|2,0,0]=3 202 B17R2.4967 CC(=CCNc1nc(nc2c1cn[nH]2)C)C 27a_100000718196_100000745003 [0,1,0,0,0,0|2,0,0]=3 203 B17R2.4967 CC(=CCNc1nc(nc2c1nc[nH]2)F)C 27a_100000718196_100000061921 [0,1,0,0,0,0|0,0,0]=1 204 B17R2.4967 CC(=CCNc1nc(nc2c1scc2)C)C 27a_100000718196_100012000418 [0,1,0,0,0,0|2,0,0]=3 205 B17R2.4967 CC(=CCSc1cc(cc2c1nc[nH]2)F)C 62a_100000761012_100010192642 [0,1,0,0,0,0|3,0,0]=4 206 B17R2.4967 CC(=CCSc1cc(cc2c1nc[nH]2)F)C 62a_100010192642_100000761012 [0,1,0,0,0,0|3,0,0]=4 207 B17R2.4967 CC(=CCSc1cc(nc2c1cc[nH]2)C)C 62a_100000761012_100000095047 [0,1,0,0,0,0|3,0,0]=4 208 B17R2.4967 CC(=CCSc1cc(nc2c1cc[nH]2)N)C 62a_100010168402_100000761012 [0,1,0,0,0,0|3,0,0]=4 209 B17R2.4967 CC(=CCSc1nc(cc2c1cc[nH]2)C)C 62a_100000761012_100009880406 [0,1,0,0,0,0|3,0,0]=4 210 B17R2.4967 CC(=CCSc1nc(nc2c1[nH]cn2)N)C 62a_100000761012_100000764887 [0,1,0,0,0,0|1,0,2]=4 211 B17R2.4967 CC(=CCSc1nc(nc2c1[nH]cn2)N)C 62a_100000764887_100000761012 [0,1,0,0,0,0|1,0,2]=4 212 B17R2.4967 CC(=CCSc1nc(nc2c1cc[nH]2)C)C 62a_100000761012_100000092993 [0,1,0,0,0,0|2,0,0]=3 213 B17R2.4967 CC(=CCSc1nc(nc2c1ccs2)C)C 62a_100000183124_100000761012 [0,1,0,0,0,0|3,0,0]=4 214 B17R2.4967 CC(=CCSc1nc(nc2c1ccs2)C)C 62a_100000761012_100000183124 [0,1,0,0,0,0|3,0,0]=4 215 B17R2.4967 CC(=CCSc1nc(nc2c1cn[nH]2)C)C 62a_100000745003_100000761012 [0,1,0,0,0,0|3,0,0]=4 216 B17R2.4967 CC(=CCSc1nc(nc2c1cn[nH]2)C)C 62a_100000761012_100000745003 [0,1,0,0,0,0|3,0,0]=4 217 B17R2.4967 CC(=CCSc1nc(nc2c1nc[nH]2)F)C 62a_100000761012_100000061921 [0,1,0,0,0,0|1,0,0]=2 218 B17R2.4967 CC(=CCSc1nc(nc2c1scc2)C)C 62a_100000761012_100012000418 [0,1,0,0,0,0|3,0,0]=4 219 B17R2.4967 CC(=O)CCSc1nc(nc2c1nc[nH]2)F 62a_100000053229_100000061921 [0,1,0,0,0,0|2,0,1]=4 220 B17R2.4967 CC(=O)OCSc1nc(nc2c1nc[nH]2)F 62a_100000076356_100000061921 [0,1,0,0,0,0|3,0,0]=4 221 B17R2.4967 CC(C)CCNc1nc(nc2c1nc[nH]2)F 27a_100000210545_100000061921 [0,1,0,0,0,0|0,0,2]=3 222 B17R2.4967 CC(C)CCSc1nc(nc2c1nc[nH]2)F 62a_100000210312_100000061921 [0,1,0,0,0,0|1,0,2]=4 223 B17R2.4967 CC(C)OCSc1nc(nc2c1nc[nH]2)F 62a_100000709892_100000061921 [0,1,0,0,0,0|2,0,1]=4 224 B17R2.4967 CC(O)CCNc1nc(nc2c1nc[nH]2)F 27a_200000755665_100000061921 [0,1,0,0,0,0|1,0,2]=4 225 B17R2.4967 CN(C)CCNc1nc(nc2c1nc[nH]2)F 27a_100000210585_100000061921 [0,1,0,0,0,0|1,0,1]=3 226 B17R2.4967 Cc1nc(c2cc[nH]c2n1)NCCC(C)C 27a_100000210545_100000092993 [0,1,0,0,0,0|1,0,2]=4 227 B17R2.4967 Cc1nc(c2cc[nH]c2n1)NCCN(C)C 27a_100000210585_100000092993 [0,1,0,0,0,0|2,0,1]=4 228 B17R2.4967 NC(=O)CCNc1nc(nc2c1nc[nH]2)F 27a_100000740010_100000061921 [0,1,0,0,0,0|2,0,1]=4 229 B17R2.5261 CC(=CCNc1cccc2c1nc(o2)C)C 34a_100011934982_100000761012 [0,1,0,0,0,0|3,0,0]=4 230 B17R2.5261 CC(=CCNc1nccc2c1nn(c2)C)C 27a_100000718196_100010890759 [0,1,0,0,0,0|3,0,0]=4 231 B17R2.5261 CC(=CCNc1nccn2c1nc(c2)C)C 27a_100000718196_100000098434 [0,1,0,0,0,0|3,0,0]=4 232 B17R2.5261 CC(=CCNc1nccn2c1nc(n2)N)C 27a_100000718196_100009987088 [0,1,0,0,0,0|2,0,1]=4 233 B17R2.5261 CC(=CCNc1ncnc2c1cc([nH]2)C)C 27a_100000718196_100009847220 [0,1,0,0,0,0|1,0,0]=2 234 B17R2.5261 CC(=CCNc1ncnc2c1cc(s2)C)C 27a_100000718196_100000753035 [0,1,0,0,0,0|2,0,0]=3 235 B17R2.5261 CC(=CCNc1ncnc2c1sc(c2)C)C 27a_100000718196_200009846640 [0,1,0,0,0,0|2,0,0]=3 236 B17R2.5261 CC(=CCSc1cccc2c1nc([nH]2)C)C 62a_100000761012_100012360556 [0,1,0,0,0,0|3,0,0]=4 237 B17R2.5261 CC(=CCSc1ccnc2c1CC(=O)N2)C 62a_100000761012_100000104061 [0,1,0,0,0,0|3,0,0]=4 238 B17R2.5261 CC(=CCSc1ccnc2c1cc([nH]2)C)C 62a_100000761012_100010202352 [0,1,0,0,0,0|3,0,0]=4 239 B17R2.5261 CC(=CCSc1ncnc2c1CC(=O)N2)C 62a_100000761012_100000094081 [0,1,0,0,0,0|2,0,0]=3 240 B17R2.5261 CC(=CCSc1ncnc2c1cc([nH]2)C)C 62a_100000761012_100009847220 [0,1,0,0,0,0|2,0,0]=3 241 B17R2.5261 CC(=CCSc1ncnc2c1cc(s2)C)C 62a_100000753035_100000761012 [0,1,0,0,0,0|3,0,0]=4 242 B17R2.5261 CC(=CCSc1ncnc2c1cc(s2)C)C 62a_100000761012_100000753035 [0,1,0,0,0,0|3,0,0]=4 243 B17R2.5261 CC(=CCSc1ncnc2c1sc(c2)C)C 62a_100000761012_200009846640 [0,1,0,0,0,0|3,0,0]=4 244 B17R2.5261 Cc1cc2c(ncnc2[nH]1)NCCC(C)C 27a_100000210545_100009847220 [0,1,0,0,0,0|1,0,2]=4 245 B17R2.5261 Cc1cc2c(ncnc2[nH]1)NCCN(C)C 27a_100000210585_100009847220 [0,1,0,0,0,0|2,0,1]=4 246 B17R2.19788 CC(=CCSc1c(ccc2c1nc[nH]2)F)C 62a_100000761012_200010369618 [0,1,0,0,0,0|3,0,0]=4 247 B17R2.19788 CC(=CCSc1c(ccc2c1nc[nH]2)N)C 62a_100000761012_100009816657 [0,1,0,0,0,0|3,0,0]=4 248 B17R2.19788 CC(=CCSc1c(cnc2c1cc[nH]2)C)C 62a_100000761012_100000097406 [0,1,0,0,0,0|3,0,0]=4 249 B17R2.19788 CC(=CCSc1c(cnc2c1cc[nH]2)F)C 62a_100000761012_100000118126 [0,1,0,0,0,0|3,0,0]=4 250 B17R2.39674 CC(=CCSc1ncc(c2c1cc[nH]2)C)C 62a_100000761012_100010244391 [0,1,0,0,0,0|3,0,0]=4 251 B17R2.39674 CC(=CCSc1ncc(c2c1nc[nH]2)F)C 62a_100000761012_100009853726 [0,1,0,0,0,0|2,0,0]=3 252 B17R2.60842 C/C=C(\C)/C=NNc1ncnc2c1[nH]cn2 4a_100000743131_100020587592 [0,1,0,0,0,0|1,0,2]=4 253 B17R2.60842 C/C=C(\C)/C=NNc1ncnc2c1ccs2 4a_100000185024_100020587592 [0,1,0,0,0,0|3,0,0]=4 254 B17R2.60842 C/C=C(\C)/C=NNc1ncnc2c1scc2 4a_100000760892_100020587592 [0,1,0,0,0,0|3,0,0]=4 255 B17R2.60842 CC(CO)CCNc1ccnc2c1nc[nH]2 27a_106354213184_100009820729 [0,1,0,0,0,0|1,0,2]=4 256 B17R2.60842 CC(CO)CCNc1ncnc2c1ncs2 27a_106354213184_100009860286 [0,1,0,0,0,0|1,0,2]=4 257 B17R2.60842 CCC(C)CCNc1ccnc2c1nc[nH]2 27a_100020591266_100009820729 [0,1,0,0,0,0|1,0,2]=4 258 B17R2.60842 CCC(C)CCNc1ncnc2c1ncs2 27a_100020591266_100009860286 [0,1,0,0,0,0|1,0,2]=4 259 B17R2.60842 CNC(=O)CCNc1ccnc2c1nc[nH]2 27a_100000738227_100009820729 [0,1,0,0,0,0|2,0,1]=4 260 B17R2.60842 CNC(=O)CCNc1ncnc2c1ncs2 27a_100000738227_100009860286 [0,1,0,0,0,0|2,0,1]=4 261 B17R2.84729 CC(=O)C(=O)CSc1ccnc2c1nc[nH]2 62a_100011261029_100009820729 [0,1,0,0,0,0|3,0,0]=4 262 B17R2.84729 CC(=O)C(=O)CSc1nccc2c1nc[nH]2 62a_100011261029_100009820035 [0,1,0,0,0,0|3,0,0]=4 263 B17R2.84729 CC(=O)C(=O)CSc1ncnc2c1ncs2 62a_100011261029_100009860286 [0,1,0,0,0,0|3,0,0]=4 264 B17R2.84729 CC(C)C(=O)CSc1ccnc2c1nc[nH]2 62a_100000753385_100009820729 [0,1,0,0,0,0|2,0,1]=4 265 B17R2.84729 CC(C)C(=O)CSc1nccc2c1nc[nH]2 62a_100000753385_100009820035 [0,1,0,0,0,0|2,0,1]=4 266 B17R2.84729 CC(C)C(=O)CSc1ncnc2c1ncs2 62a_100000753385_100009860286 [0,1,0,0,0,0|2,0,1]=4 267 B17R2.84729 CC(C)C(O)CNc1ccnc2c1nc[nH]2 27a_100000759067_100009820729 [0,1,0,0,0,0|1,0,2]=4 268 B17R2.84729 CC(C)C(O)CNc1ncnc2c1ncs2 27a_100000759067_100009860286 [0,1,0,0,0,0|1,0,2]=4 269 B17R2.84729 CN(C)C(=O)CCc1ccnc2c1nc[nH]2 271570a_200010232142_100009820729 [0,1,0,0,0,0|3,0,0]=4 270 B17R2.84729 CN(C)C(=O)CCc1nccc2c1nc[nH]2 271570a_200010232142_100009820035 [0,1,0,0,0,0|3,0,0]=4 271 B17R2.84729 CN(C)C(=O)CCc1ncnc2c1ncs2 271570a_200010232142_100009860286 [0,1,0,0,0,0|3,0,0]=4 272 B17R2.84729 CN(C)C(=O)CNc1ccnc2c1nc[nH]2 27a_100015183351_100009820729 [0,1,0,0,0,0|2,0,0]=3 273 B17R2.84729 CN(C)C(=O)CNc1ccnc2c1nn[nH]2 27a_100015183351_100009853804 [0,1,0,0,0,0|3,0,0]=4 274 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1CCN2 27a_100015183351_200000104052 [0,1,0,0,0,0|2,0,1]=4 275 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1[nH]cc2 27a_100015183351_100000084117 [0,1,0,0,0,0|2,0,1]=4 276 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1[nH]cn2 27a_100015183351_100011215200 [0,1,0,0,0,0|1,0,2]=4 277 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1cco2 27a_100015183351_100000094286 [0,1,0,0,0,0|3,0,0]=4 278 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1ccs2 27a_100015183351_100000183654 [0,1,0,0,0,0|3,0,0]=4 279 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1cn[nH]2 27a_100015183351_100000735611 [0,1,0,0,0,0|3,0,0]=4 280 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1ncs2 27a_100015183351_100009860286 [0,1,0,0,0,0|2,0,0]=3 281 B17R2.84729 CN(C)C(=O)CNc1ncnc2c1scc2 27a_100015183351_100000234879 [0,1,0,0,0,0|3,0,0]=4 282 B17R2.84729 CN(C)C(=O)CSc1ccnc2c1nc[nH]2 62a_100000692301_100009820729 [0,1,0,0,0,0|3,0,0]=4 283 B17R2.84729 CN(C)C(=O)CSc1nccc2c1nc[nH]2 62a_100000692301_100009820035 [0,1,0,0,0,0|3,0,0]=4 284 B17R2.84729 CN(C)C(=O)CSc1ncnc2c1ncs2 62a_100000692301_100009860286 [0,1,0,0,0,0|3,0,0]=4 285 B17R2.90704 CC(C)(C)CCNc1ccnc2c1nc[nH]2 27a_100000738805_100009820729 [0,1,0,0,0,0|1,0,2]=4 286 B17R2.90704 CC(C)(C)CCNc1ncnc2c1ncs2 27a_100000738805_100009860286 [0,1,0,0,0,0|1,0,2]=4 287 B17R2.90704 CC(C)(F)CCNc1ccnc2c1nc[nH]2 27a_100016253952_100009820729 [0,1,0,0,0,0|1,0,2]=4 288 B17R2.90704 CC(C)(F)CCNc1ncnc2c1ncs2 27a_100016253952_100009860286 [0,1,0,0,0,0|1,0,2]=4 289 B17R2.90704 CC(C)(O)CCNc1ccnc2c1nc[nH]2 27a_100000707701_100009820729 [0,1,0,0,0,0|1,0,2]=4 290 B17R2.90704 CC(C)(O)CCNc1ncnc2c1ncs2 27a_100000707701_100009860286 [0,1,0,0,0,0|1,0,2]=4 291 B17R2.90704 C[N+](C)(C)CCNc1ccnc2c1nc[nH]2 27a_100000106457_100009820729 [0,1,0,0,0,0|2,0,1]=4 292 B17R2.90704 C[N+](C)(C)CCNc1ncnc2c1ncs2 27a_100000106457_100009860286 [0,1,0,0,0,0|2,0,1]=4 293 B17R2.90971 CC(=CCC(=O)c1cccc2c1nc[nH]2)C 1458a_100000691283_100000761012 [0,1,0,0,0,0|3,0,0]=4 294 B17R2.90971 CC(C)CCN(C)c1ccnc2c1nc[nH]2 27a_100000742789_100009820729 [0,1,0,0,0,0|1,0,2]=4 295 B17R2.90971 CC(C)CCN(C)c1ncnc2c1ncs2 27a_100000742789_100009860286 [0,1,0,0,0,0|1,0,2]=4 296 B17R2.90971 CN(C)CCN(C)c1ccnc2c1nc[nH]2 27a_100000225618_100009820729 [0,1,0,0,0,0|2,0,1]=4 297 B17R2.90971 CN(C)CCN(C)c1ncnc2c1ncs2 27a_100000225618_100009860286 [0,1,0,0,0,0|2,0,1]=4 298 B17R2.147063 CC(C)CC(C)Nc1ccnc2c1nc[nH]2 27a_100000692259_100009820729 [0,1,0,0,0,0|1,0,2]=4 299 B17R2.147063 CC(C)CC(C)Nc1ncnc2c1ncs2 27a_100000692259_100009860286 [0,1,0,0,0,0|1,0,2]=4 300 B17R2.147063 CC(CN(C)C)Nc1ccnc2c1nc[nH]2 27a_100016992788_100009820729 [0,1,0,0,0,0|2,0,1]=4 301 B17R2.147063 CC(CN(C)C)Nc1ncnc2c1ncs2 27a_100016992788_100009860286 [0,1,0,0,0,0|2,0,1]=4 302 B17R2.184950 CC(=CCNc1ncnc2c1c(c[nH]2)C)C 27a_100000718196_100000092391 [0,1,0,0,0,0|1,0,0]=2 303 B17R2.184950 CC(=CCNc1ncnc2c1c(c[nH]2)F)C 27a_100000718196_100009880486 [0,1,0,0,0,0|1,0,0]=2 304 B17R2.184950 CC(=CCNc1ncnc2c1c(cs2)C)C 27a_100000718196_100000040732 [0,1,0,0,0,0|2,0,0]=3 305 B17R2.184950 CC(=CCNc1ncnc2c1n(cc2)C)C 27a_100000718196_100009847513 [0,1,0,0,0,0|1,0,1]=3 306 B17R2.184950 CC(=CCNc1ncnc2c1n(cn2)C)C 27a_100000718196_100000078800 [0,1,0,0,0,0|0,0,2]=3 307 B17R2.184950 CC(=CCNc1ncnc2c1n(nc2)C)C 27a_100000718196_100000098498 [0,1,0,0,0,0|2,0,1]=4 308 B17R2.184950 CC(=CCSc1ccnc2c1c(c[nH]2)C)C 62a_100000761012_100010724702 [0,1,0,0,0,0|3,0,0]=4 309 B17R2.184950 CC(=CCSc1ncnc2c1c(c[nH]2)C)C 62a_100000761012_100000092391 [0,1,0,0,0,0|2,0,0]=3 310 B17R2.184950 CC(=CCSc1ncnc2c1c(c[nH]2)F)C 62a_100000761012_100009880486 [0,1,0,0,0,0|2,0,0]=3 311 B17R2.184950 CC(=CCSc1ncnc2c1c(cs2)C)C 62a_100000761012_100000040732 [0,1,0,0,0,0|3,0,0]=4 312 B17R2.184950 CC(=CCSc1ncnc2c1n(cc2)C)C 62a_100000761012_100009847513 [0,1,0,0,0,0|2,0,1]=4 313 B17R2.184950 CC(=CCSc1ncnc2c1n(cn2)C)C 62a_100000761012_100000078800 [0,1,0,0,0,0|1,0,2]=4 314 B17R2.184950 CC(C)CCNc1ncnc2c1c(c[nH]2)F 27a_100000210545_100009880486 [0,1,0,0,0,0|1,0,2]=4 315 B17R2.184950 CN(C)CCNc1ncnc2c1c(c[nH]2)F 27a_100000210585_100009880486 [0,1,0,0,0,0|2,0,1]=4 316 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(C)C 27a_100000210545_100000092391 [0,1,0,0,0,0|1,0,2]=4 317 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCN(C)C 27a_100000210585_100000092391 [0,1,0,0,0,0|2,0,1]=4 318 B15R1.70 CCc1ncnc(c1F)NCC=C(C)C 27a_100000718196_100000685531 [0,0,1,0,0,0|2,0,1]=4 319 B15R1.70 CNc1ncnc(c1C)NCC=C(C)C 27a_100000718196_200011913118 [0,0,1,0,0,0|1,0,1]=3 320 B15R1.70 CNc1ncnc(c1C)SCC=C(C)C 62a_100000761012_200011913118 [0,0,1,0,0,0|2,0,1]=4 321 B15R1.70 CNc1ncnc(c1C)SCC=C(C)C 62a_200011913118_100000761012 [0,0,1,0,0,0|2,0,1]=4 322 B15R1.70 CNc1ncnc(c1N)SCC=C(C)C 62a_100000761012_100011794930 [0,0,1,0,0,0|1,0,2]=4 323 B15R1.70 CNc1ncnc(c1N)SCC=C(C)C 62a_100011794930_100000761012 [0,0,1,0,0,0|1,0,2]=4 324 B15R1.70 COc1ncnc(c1C)NCC=C(C)C 27a_100000718196_200011912725 [0,0,1,0,0,0|2,0,1]=4 325 B15R1.568 CCNc1cc(ncn1)NCC=C(C)C 27a_100000718196_200000242512 [0,0,1,0,0,0|1,0,1]=3 326 B15R1.568 CCNc1cc(ncn1)SCC=C(C)C 62a_100000761012_200000242512 [0,0,1,0,0,0|2,0,1]=4 327 B15R1.568 CCNc1cc(ncn1)SCC=C(C)C 62a_200000242512_100000761012 [0,0,1,0,0,0|2,0,1]=4 328 B15R1.568 CCOc1cc(ncn1)NCC=C(C)C 27a_100000718196_100000765465 [0,0,1,0,0,0|2,0,1]=4 329 B15R1.568 COCc1cc(ncn1)NCC=C(C)C 27a_100000718196_100000688101 [0,0,1,0,0,0|3,0,0]=4 330 B15R1.4802 CC(=CCNc1ncnc(c1C#N)N)C 27a_100000718196_100000086035 [0,0,1,0,0,0|2,0,0]=3 331 B15R1.4802 CC(=CCSc1ncnc(c1C#N)N)C 62a_100000761012_100000086035 [0,0,1,0,0,0|3,0,0]=4 332 B15R1.4802 CC(=CCSc1ncnc(c1C=O)N)C 62a_100000761012_100000765549 [0,0,1,0,0,0|3,0,0]=4 333 B15R1.4802 CC(=CCSc1ncnc(c1C=O)N)C 62a_100000765549_100000761012 [0,0,1,0,0,0|3,0,0]=4 334 B15R1.4802 COc1c(ncnc1NCC=C(C)C)N 27a_100000718196_100011998528 [0,0,1,0,0,0|1,0,1]=3 335 B15R1.4802 COc1c(ncnc1SCC=C(C)C)N 62a_100000761012_100011998528 [0,0,1,0,0,0|2,0,1]=4 336 B15R1.4802 COc1c(ncnc1SCC=C(C)C)N 62a_100011998528_100000761012 [0,0,1,0,0,0|2,0,1]=4 337 B17R3.5204 C=C1CC(C1)Nc2ccnc3c2nc[nH]3 27a_100132301982_100009820729 [0,0,0,1,0,0|1,0,2]=4 338 B17R3.5204 C=C1CC(C1)Nc2ncnc3c2ncs3 27a_100132301982_100009860286 [0,0,0,1,0,0|1,0,2]=4 339 B17R3.17527 C[C@@H]1CCN(C1)c2ccnc3c2nc[nH]3 27a_100016987628_100009820729 [0,0,0,1,0,0|1,0,2]=4 340 B17R3.17527 C[C@@H]1CCN(C1)c2ncnc3c2ncs3 27a_100016987628_100009860286 [0,0,0,1,0,0|1,0,2]=4 341 B17R3.17527 O=C1CN(CN1)c2ccnc3c2nc[nH]3 27a_200000708111_100009820729 [0,0,0,1,0,0|3,0,0]=4 342 B17R3.17527 O=C1CN(CN1)c2ncnc3c2ncs3 27a_200000708111_100009860286 [0,0,0,1,0,0|3,0,0]=4 343 B17R3.127913 c1cc(c2nc[nH]c2n1)NCCC3CC3 27a_100000764129_100009820729 [0,0,0,1,0,0|1,0,2]=4 344 B17R3.127913 c1nc(c2ncsc2n1)NCCC3CC3 27a_100000764129_100009860286 [0,0,0,1,0,0|1,0,2]=4 345 B15R2.19753 C=C(C)CNc1ccnc2c1nc[nH]2 27a_100000765925_100009820729 [0,0,0,0,1,0|1,0,1]=3 346 B15R2.19753 C=C(C)CNc1ccnc2c1nn[nH]2 27a_100000765925_100009853804 [0,0,0,0,1,0|2,0,1]=4 347 B15R2.19753 C=C(C)CNc1ncnc2c1CCN2 27a_100000765925_200000104052 [0,0,0,0,1,0|1,0,2]=4 348 B15R2.19753 C=C(C)CNc1ncnc2c1[nH]cc2 27a_100000765925_100000084117 [0,0,0,0,1,0|1,0,2]=4 349 B15R2.19753 C=C(C)CNc1ncnc2c1[nH]cn2 27a_100000765925_100011215200 [0,0,0,0,1,0|0,0,3]=4 350 B15R2.19753 C=C(C)CNc1ncnc2c1cco2 27a_100000765925_100000094286 [0,0,0,0,1,0|2,0,1]=4 351 B15R2.19753 C=C(C)CNc1ncnc2c1ccs2 27a_100000765925_100000183654 [0,0,0,0,1,0|2,0,1]=4 352 B15R2.19753 C=C(C)CNc1ncnc2c1cn[nH]2 27a_100000765925_100000735611 [0,0,0,0,1,0|2,0,1]=4 353 B15R2.19753 C=C(C)CNc1ncnc2c1ncs2 27a_100000765925_100009860286 [0,0,0,0,1,0|1,0,1]=3 354 B15R2.19753 C=C(C)CNc1ncnc2c1scc2 27a_100000765925_100000234879 [0,0,0,0,1,0|2,0,1]=4 355 B15R2.19753 C=C(C)CSc1ccnc2c1nc[nH]2 62a_100000748629_100009820729 [0,0,0,0,1,0|2,0,1]=4 356 B15R2.19753 C=C(C)CSc1nccc2c1nc[nH]2 62a_100000748629_100009820035 [0,0,0,0,1,0|2,0,1]=4 357 B15R2.19753 C=C(C)CSc1ncnc2c1ncs2 62a_100000748629_100009860286 [0,0,0,0,1,0|2,0,1]=4 358 B15R2.19753 CC(C)C=Cc1ccnc2c1nc[nH]2 271570a_100016257149_100009820729 [0,0,0,0,1,0|1,0,2]=4 359 B15R2.19753 CC(C)C=Cc1nccc2c1nc[nH]2 271570a_100016257149_100009820035 [0,0,0,0,1,0|1,0,2]=4 360 B15R2.19753 CC(C)C=Cc1ncnc2c1ncs2 271570a_100016257149_100009860286 [0,0,0,0,1,0|1,0,2]=4 361 B15R2.19753 CC(C)CNc1ccnc2c1nc[nH]2 27a_100000210953_100009820729 [0,0,0,0,1,0|1,0,1]=3 362 B15R2.19753 CC(C)CNc1ccnc2c1nn[nH]2 27a_100000210953_100009853804 [0,0,0,0,1,0|2,0,1]=4 363 B15R2.19753 CC(C)CNc1ncnc2c1CCN2 27a_100000210953_200000104052 [0,0,0,0,1,0|1,0,2]=4 364 B15R2.19753 CC(C)CNc1ncnc2c1[nH]cc2 27a_100000210953_100000084117 [0,0,0,0,1,0|1,0,2]=4 365 B15R2.19753 CC(C)CNc1ncnc2c1[nH]cn2 27a_100000210953_100011215200 [0,0,0,0,1,0|0,0,3]=4 366 B15R2.19753 CC(C)CNc1ncnc2c1cco2 27a_100000210953_100000094286 [0,0,0,0,1,0|2,0,1]=4 367 B15R2.19753 CC(C)CNc1ncnc2c1ccs2 27a_100000210953_100000183654 [0,0,0,0,1,0|2,0,1]=4 368 B15R2.19753 CC(C)CNc1ncnc2c1cn[nH]2 27a_100000210953_100000735611 [0,0,0,0,1,0|2,0,1]=4 369 B15R2.19753 CC(C)CNc1ncnc2c1ncs2 27a_100000210953_100009860286 [0,0,0,0,1,0|1,0,1]=3 370 B15R2.19753 CC(C)CNc1ncnc2c1scc2 27a_100000210953_100000234879 [0,0,0,0,1,0|2,0,1]=4 371 B15R2.19753 CC(C)CSc1ccnc2c1nc[nH]2 62a_100000210624_100009820729 [0,0,0,0,1,0|2,0,1]=4 372 B15R2.19753 CC(C)CSc1nccc2c1nc[nH]2 62a_100000210624_100009820035 [0,0,0,0,1,0|2,0,1]=4 373 B15R2.19753 CC(C)CSc1ncnc2c1ncs2 62a_100000210624_100009860286 [0,0,0,0,1,0|2,0,1]=4 374 B15R2.19753 CC(O)CNc1ccnc2c1nc[nH]2 27a_100000210904_100009820729 [0,0,0,0,1,0|2,0,1]=4 375 B15R2.19753 CC(O)CNc1ncnc2c1ncs2 27a_100000210904_100009860286 [0,0,0,0,1,0|2,0,1]=4 376 B17R2.44757 CC(=CC=NNc1ncnc2c1[nH]cn2)C 4a_100000743131_100011215525 [0,0,0,0,0,1|0,0,3]=4 377 B17R2.44757 CC(=CC=NNc1ncnc2c1ccs2)C 4a_100000185024_100011215525 [0,0,0,0,0,1|2,0,1]=4 378 B17R2.44757 CC(=CC=NNc1ncnc2c1scc2)C 4a_100000760892_100011215525 [0,0,0,0,0,1|2,0,1]=4 379 B17R2.44757 CC(=CCCNc1cccc2c1nco2)C 34a_100000717946_100011217483 [0,0,0,0,0,1|3,0,0]=4 380 B17R2.44757 CC(=CCCSc1cccc2c1nc[nH]2)C 62a_100011217483_100011935113 [0,0,0,0,0,1|3,0,0]=4 381 B17R2.44757 CC(=CCCSc1ccnc2c1cc[nH]2)C 62a_100011217483_100000766882 [0,0,0,0,0,1|3,0,0]=4 382 B17R2.44757 CC(=CCCSc1ccnc2c1nc[nH]2)C 62a_100011217483_100009820729 [0,0,0,0,0,1|2,0,0]=3 383 B17R2.44757 CC(=CCCSc1ccnc2c1nn[nH]2)C 62a_100011217483_100009853804 [0,0,0,0,0,1|3,0,0]=4 384 B17R2.44757 CC(=CCCSc1nccc2c1cc[nH]2)C 62a_100011217483_100000086534 [0,0,0,0,0,1|3,0,0]=4 385 B17R2.44757 CC(=CCCSc1nccc2c1nc[nH]2)C 62a_100011217483_100009820035 [0,0,0,0,0,1|2,0,0]=3 386 B17R2.44757 CC(=CCCSc1ncnc2c1CCN2)C 62a_100011217483_200000104052 [0,0,0,0,0,1|2,0,1]=4 387 B17R2.44757 CC(=CCCSc1ncnc2c1CCN2)C 62a_200000104052_100011217483 [0,0,0,0,0,1|2,0,1]=4 388 B17R2.44757 CC(=CCCSc1ncnc2c1[nH]cc2)C 62a_100011217483_100000084117 [0,0,0,0,0,1|2,0,1]=4 389 B17R2.44757 CC(=CCCSc1ncnc2c1[nH]cn2)C 62a_100011217483_100011215200 [0,0,0,0,0,1|1,0,2]=4 390 B17R2.44757 CC(=CCCSc1ncnc2c1cco2)C 62a_100011217483_100000094286 [0,0,0,0,0,1|3,0,0]=4 391 B17R2.44757 CC(=CCCSc1ncnc2c1ccs2)C 62a_100011217483_100000183654 [0,0,0,0,0,1|3,0,0]=4 392 B17R2.44757 CC(=CCCSc1ncnc2c1cn[nH]2)C 62a_100011217483_100000735611 [0,0,0,0,0,1|3,0,0]=4 393 B17R2.44757 CC(=CCCSc1ncnc2c1ncs2)C 62a_100011217483_100009860286 [0,0,0,0,0,1|2,0,0]=3 394 B17R2.44757 CC(=CCCSc1ncnc2c1scc2)C 62a_100011217483_100000234879 [0,0,0,0,0,1|3,0,0]=4 395 B17R2.44757 CC(=CCNCc1cccc2c1ncs2)C 34a_100000718196_100010883896 [0,0,0,0,0,1|3,0,0]=4 396 B17R2.44757 CC(=O)NCCNc1ccnc2c1nc[nH]2 27a_100000209853_100009820729 [0,0,0,0,0,1|2,0,1]=4 397 B17R2.44757 CC(=O)NCCNc1ncnc2c1ncs2 27a_100000209853_100009860286 [0,0,0,0,0,1|2,0,1]=4 398 B17R2.44757 CC(C)CCCNc1ccnc2c1nc[nH]2 27a_200000737386_100009820729 [0,0,0,0,0,1|1,0,2]=4 399 B17R2.44757 CC(C)CCCNc1ncnc2c1ncs2 27a_200000737386_100009860286 [0,0,0,0,0,1|1,0,2]=4 400 B17R2.44757 CC(C)OCCNc1ccnc2c1nc[nH]2 27a_100000701111_100009820729 [0,0,0,0,0,1|1,0,2]=4 401 B17R2.44757 CC(C)OCCNc1ncnc2c1ncs2 27a_100000701111_100009860286 [0,0,0,0,0,1|1,0,2]=4 402 B17R2.44757 CC(C)SCCNc1ccnc2c1nc[nH]2 27a_100000731138_100009820729 [0,0,0,0,0,1|1,0,2]=4 403 B17R2.44757 CC(C)SCCNc1ncnc2c1ncs2 27a_100000731138_100009860286 [0,0,0,0,0,1|1,0,2]=4 404 B17R2.44757 CN(C)CCCNc1ccnc2c1nc[nH]2 27a_102531767803_100009820729 [0,0,0,0,0,1|2,0,1]=4 405 B17R2.44757 CN(C)CCCNc1ncnc2c1ncs2 27a_102531767803_100009860286 [0,0,0,0,0,1|2,0,1]=4 406 B17R2.291558 CC(=CCNc1cccc2c1cncn2)C 27a_100000718196_100009814520 [0,0,0,0,0,1|2,0,1]=4 407 B17R2.291558 CC(=CCNc1cccc2c1nccc2)C 34a_100000181377_100000761012 [0,0,0,0,0,1|3,0,0]=4 408 B17R2.291558 CC(=CCNc1cccc2c1nccn2)C 27a_100000718196_100010003881 [0,0,0,0,0,1|2,0,1]=4 409 B17R2.291558 CC(=CCNc1cccc2c1ncnc2)C 27a_100000718196_100010246313 [0,0,0,0,0,1|2,0,1]=4 410 B17R2.291558 CC(=CCNc1ccnc2c1cccc2)C 27a_100000718196_100011215880 [0,0,0,0,0,1|3,0,0]=4 411 B17R2.291558 CC(=CCNc1ccnc2c1cccn2)C 27a_100000718196_100000087570 [0,0,0,0,0,1|2,0,1]=4 412 B17R2.291558 CC(=CCNc1ccnc2c1cncc2)C 27a_100000718196_100000095135 [0,0,0,0,0,1|2,0,0]=3 413 B17R2.291558 CC(=CCNc1ccnc2c1nccn2)C 27a_100000718196_100010783457 [0,0,0,0,0,1|1,0,1]=3 414 B17R2.291558 CC(=CCNc1nccc2c1cccc2)C 27a_100000718196_100011934041 [0,0,0,0,0,1|3,0,0]=4 415 B17R2.291558 CC(=CCNc1nccc2c1cccn2)C 27a_100000718196_100000077681 [0,0,0,0,0,1|2,0,1]=4 416 B17R2.291558 CC(=CCNc1nccc2c1cncc2)C 27a_100000718196_100000116921 [0,0,0,0,0,1|2,0,0]=3 417 B17R2.291558 CC(=CCNc1nccc2c1nccc2)C 27a_100000718196_100010063729 [0,0,0,0,0,1|2,0,0]=3 418 B17R2.291558 CC(=CCNc1nccc2c1nccn2)C 27a_100000718196_100010063732 [0,0,0,0,0,1|1,0,1]=3 419 B17R2.291558 CC(=CCNc1ncnc2c1CCCC2)C 27a_100000718196_100011467579 [0,0,0,0,0,1|2,0,1]=4 420 B17R2.291558 CC(=CCNc1ncnc2c1cccc2)C 27a_100000718196_100000217608 [0,0,0,0,0,1|2,0,0]=3 421 B17R2.291558 CC(=CCNc1ncnc2c1cccn2)C 27a_100000718196_100000026734 [0,0,0,0,0,1|1,0,1]=3 422 B17R2.291558 CC(=CCNc1ncnc2c1ccnc2)C 27a_100000718196_100000098430 [0,0,0,0,0,1|1,0,1]=3 423 B17R2.291558 CC(=CCNc1ncnc2c1nccc2)C 27a_100000718196_100000063688 [0,0,0,0,0,1|1,0,0]=2 424 B17R2.291558 CC(=CCSc1ccnc2c1cncc2)C 62a_100000095135_100000761012 [0,0,0,0,0,1|3,0,0]=4 425 B17R2.291558 CC(=CCSc1ccnc2c1cncc2)C 62a_100000761012_100000095135 [0,0,0,0,0,1|3,0,0]=4 426 B17R2.291558 CC(=CCSc1ccnc2c1nccn2)C 62a_100000761012_100010783457 [0,0,0,0,0,1|2,0,1]=4 427 B17R2.291558 CC(=CCSc1ccnc2c1nccn2)C 62a_100010783457_100000761012 [0,0,0,0,0,1|2,0,1]=4 428 B17R2.291558 CC(=CCSc1nccc2c1cncc2)C 62a_100000761012_100000116921 [0,0,0,0,0,1|3,0,0]=4 429 B17R2.291558 CC(=CCSc1nccc2c1cncc2)C 62a_200010063730_100000761012 [0,0,0,0,0,1|3,0,0]=4 430 B17R2.291558 CC(=CCSc1nccc2c1nccc2)C 62a_100000761012_100010063729 [0,0,0,0,0,1|3,0,0]=4 431 B17R2.291558 CC(=CCSc1nccc2c1nccn2)C 62a_100000761012_100010063732 [0,0,0,0,0,1|2,0,1]=4 432 B17R2.291558 CC(=CCSc1nccc2c1nccn2)C 62a_100010063732_100000761012 [0,0,0,0,0,1|2,0,1]=4 433 B17R2.291558 CC(=CCSc1ncnc2c1cccc2)C 62a_100000753007_100000761012 [0,0,0,0,0,1|3,0,0]=4 434 B17R2.291558 CC(=CCSc1ncnc2c1cccc2)C 62a_100000761012_100000217608 [0,0,0,0,0,1|3,0,0]=4 435 B17R2.291558 CC(=CCSc1ncnc2c1cccn2)C 62a_100000026734_100000761012 [0,0,0,0,0,1|2,0,1]=4 436 B17R2.291558 CC(=CCSc1ncnc2c1cccn2)C 62a_100000761012_100000026734 [0,0,0,0,0,1|2,0,1]=4 437 B17R2.291558 CC(=CCSc1ncnc2c1ccnc2)C 62a_100000761012_100000098430 [0,0,0,0,0,1|2,0,1]=4 438 B17R2.291558 CC(=CCSc1ncnc2c1nccc2)C 62a_100000761012_100000063688 [0,0,0,0,0,1|2,0,0]=3 439 B17R2.291558 CC(C)CCNc1ncnc2c1nccc2 27a_100000210545_100000063688 [0,0,0,0,0,1|1,0,2]=4 440 B17R2.291558 CN(C)CCNc1ncnc2c1nccc2 27a_100000210585_100000063688 [0,0,0,0,0,1|2,0,1]=4 441 B14R1.76 CC(=CCNc1cc(ncn1)C#N)C 27a_100000718196_100000092509 [1,0,1,0,0,0|0,0,2]=4 442 B14R1.76 CC(=CCNc1cc(ncn1)CO)C 27a_100000718196_100000731546 [1,0,1,0,0,0|1,0,1]=4 443 B14R1.76 CC(=CCNc1cc(ncn1)NN)C 27a_100000718196_100000242035 [1,0,1,0,0,0|0,0,1]=3 444 B14R1.76 CC(=CCSc1cc(ncn1)NN)C 62a_100000242035_100000761012 [1,0,1,0,0,0|1,0,1]=4 445 B14R1.76 CC(=CCSc1cc(ncn1)NN)C 62a_100000761012_100000242035 [1,0,1,0,0,0|1,0,1]=4 446 B14R1.76 CCc1cc(ncn1)NCC=C(C)C 27a_100000718196_100000744278 [1,0,1,0,0,0|1,0,1]=4 447 B14R1.76 CNc1cc(ncn1)NCC=C(C)C 27a_100000718196_100000756605 [1,0,1,0,0,0|0,0,1]=3 448 B14R1.76 CNc1cc(ncn1)SCC=C(C)C 62a_100000756605_100000761012 [1,0,1,0,0,0|1,0,1]=4 449 B14R1.76 CNc1cc(ncn1)SCC=C(C)C 62a_100000761012_100000756605 [1,0,1,0,0,0|1,0,1]=4 450 B14R1.76 COc1cc(ncn1)NCC=C(C)C 27a_100000718196_100000049997 [1,0,1,0,0,0|1,0,1]=4 451 B14R1.76 CSc1cc(ncn1)NCC=C(C)C 27a_100000718196_100011443430 [1,0,1,0,0,0|1,0,1]=4 452 B14R1.154 CC(=CCNc1ncnc(c1C)C)C 27a_100000718196_100011438038 [1,0,1,0,0,0|1,0,1]=4 453 B14R1.154 CC(=CCNc1ncnc(c1C)N)C 27a_100000718196_100011913465 [1,0,1,0,0,0|0,0,1]=3 454 B14R1.154 CC(=CCNc1ncnc(c1C)O)C 27a_100000718196_100011912821 [1,0,1,0,0,0|1,0,1]=4 455 B14R1.154 CC(=CCNc1ncnc(c1F)C)C 27a_100000718196_100011671633 [1,0,1,0,0,0|1,0,1]=4 456 B14R1.154 CC(=CCNc1ncnc(c1F)N)C 27a_100000718196_100000126652 [1,0,1,0,0,0|1,0,0]=3 457 B14R1.154 CC(=CCSc1ncnc(c1C)N)C 62a_100000761012_100011913465 [1,0,1,0,0,0|1,0,1]=4 458 B14R1.154 CC(=CCSc1ncnc(c1C)N)C 62a_100011913465_100000761012 [1,0,1,0,0,0|1,0,1]=4 459 B14R1.154 CC(=CCSc1ncnc(c1F)N)C 62a_100000126652_100000761012 [1,0,1,0,0,0|2,0,0]=4 460 B14R1.154 CC(=CCSc1ncnc(c1F)N)C 62a_100000761012_100000126652 [1,0,1,0,0,0|2,0,0]=4 461 B14R1.154 CC(=CCSc1ncnc(c1N)N)C 62a_100000761012_100000766367 [1,0,1,0,0,0|1,0,1]=4 462 B14R1.154 CC(=CCSc1ncnc(c1N)N)C 62a_100000766367_100000761012 [1,0,1,0,0,0|1,0,1]=4 463 B14R1.154 CC(=CCSc1ncnc(c1O)N)C 62a_100000761012_100000124137 [1,0,1,0,0,0|2,0,0]=4 464 B14R1.96 CC(=CCNc1ncncc1C#N)C 27a_100000718196_100000687955 [1,0,1,0,0,0|0,0,2]=4 465 B14R1.96 CCc1cncnc1NCC=C(C)C 27a_100000718196_200000100055 [1,0,1,0,0,0|1,0,1]=4 466 B14R1.96 COc1cncnc1NCC=C(C)C 27a_100000718196_100012001275 [1,0,1,0,0,0|1,0,1]=4 467 B14R2.892 C=CCNc1ccnc2c1nc[nH]2 27a_100020586998_100009820729 [2,0,0,0,0,0|1,0,0]=3 468 B14R2.892 C=CCNc1ccnc2c1nn[nH]2 27a_100020586998_100009853804 [2,0,0,0,0,0|2,0,0]=4 469 B14R2.892 C=CCNc1ncnc2c1CCN2 27a_100020586998_200000104052 [2,0,0,0,0,0|1,0,1]=4 470 B14R2.892 C=CCNc1ncnc2c1[nH]cc2 27a_100020586998_100000084117 [2,0,0,0,0,0|1,0,1]=4 471 B14R2.892 C=CCNc1ncnc2c1[nH]cn2 27a_100020586998_100011215200 [2,0,0,0,0,0|0,0,2]=4 472 B14R2.892 C=CCNc1ncnc2c1cco2 27a_100020586998_100000094286 [2,0,0,0,0,0|2,0,0]=4 473 B14R2.892 C=CCNc1ncnc2c1ccs2 27a_100020586998_100000183654 [2,0,0,0,0,0|2,0,0]=4 474 B14R2.892 C=CCNc1ncnc2c1cn[nH]2 27a_100020586998_100000735611 [2,0,0,0,0,0|2,0,0]=4 475 B14R2.892 C=CCNc1ncnc2c1ncs2 27a_100020586998_100009860286 [2,0,0,0,0,0|1,0,0]=3 476 B14R2.892 C=CCNc1ncnc2c1scc2 27a_100020586998_100000234879 [2,0,0,0,0,0|2,0,0]=4 477 B14R2.892 C=CCSc1ccnc2c1nc[nH]2 62a_100000210623_100009820729 [2,0,0,0,0,0|2,0,0]=4 478 B14R2.892 C=CCSc1nccc2c1nc[nH]2 62a_100000210623_100009820035 [2,0,0,0,0,0|2,0,0]=4 479 B14R2.892 C=CCSc1ncnc2c1ncs2 62a_100000210623_100009860286 [2,0,0,0,0,0|2,0,0]=4 480 B16R1.19716 CNc1ncnc(c1C=O)NCC=C(C)C 27a_100000718196_200012279091 [0,1,1,0,0,0|1,0,1]=4 481 B16R1.45300 CC(=CCNc1ncnc(c1N)N(C)C)C 27a_100000718196_200000684581 [0,1,1,0,0,0|0,0,2]=4 482 B16R1.1153 CCN(C)c1cc(ncn1)NCC=C(C)C 27a_100000718196_200011443306 [0,1,1,0,0,0|1,0,1]=4 483 B16R1.1234 CC(=CCNc1cc(ncn1)NCCO)C 27a_100000718196_200011443279 [0,1,1,0,0,0|1,0,1]=4 484 B16R1.1234 CCCNc1cc(ncn1)NCC=C(C)C 27a_100000718196_100011443280 [0,1,1,0,0,0|1,0,1]=4 485 B16R1.12425 CC(=CCNc1cc(ncn1)NC(C)C)C 27a_100000718196_200011443281 [0,1,1,0,0,0|1,0,1]=4 486 B16R1.36333 CC(=CCNc1nc(nc(c1C#N)N)N)C 27a_100000718196_100010978646 [0,1,1,0,0,0|2,0,0]=4 487 B16R2.6344 C/C=C/CSc1nccc2c1ncn2C 62a_100102629194_100000075535 [1,1,0,0,0,0|2,0,0]=4 488 B16R2.6344 C/C=C/CSc1ncnc2c1ccn2C 62a_100102629194_100000076352 [1,1,0,0,0,0|2,0,0]=4 489 B16R2.6344 C/C=C/CSc1ncnc2c1ncn2C 62a_100102629194_100000058137 [1,1,0,0,0,0|1,0,0]=3 490 B16R2.6344 C=CCCNc1ncnc2c1ncn2C 27a_100015191253_100000058137 [1,1,0,0,0,0|0,0,2]=4 491 B16R2.6344 CC#CCNc1ncnc2c1ncn2C 27a_100000685387_100000058137 [1,1,0,0,0,0|0,0,2]=4 492 B16R2.6344 CC=CCSc1nccc2c1ncn2C 62a_100000070051_100000075535 [1,1,0,0,0,0|2,0,0]=4 493 B16R2.6344 CC=CCSc1ncnc2c1ccn2C 62a_100000070051_100000076352 [1,1,0,0,0,0|2,0,0]=4 494 B16R2.6344 CC=CCSc1ncnc2c1ncn2C 62a_100000070051_100000058137 [1,1,0,0,0,0|1,0,0]=3 495 B16R2.6344 CCCCNc1ncnc2c1ncn2C 27a_100000102301_100000058137 [1,1,0,0,0,0|0,0,2]=4 496 B16R2.6344 COCCNc1ncnc2c1ncn2C 27a_100000209980_100000058137 [1,1,0,0,0,0|1,0,1]=4 497 B16R2.6344 CSCCNc1ncnc2c1ncn2C 27a_100020590264_100000058137 [1,1,0,0,0,0|1,0,1]=4 498 B16R2.6352 C/C=C/CSc1ncnc2c1CC(=O)N2 62a_100102629194_100000094081 [1,1,0,0,0,0|2,0,0]=4 499 B16R2.6352 C/C=C/CSc1ncnc2c1cc([nH]2)C 62a_100102629194_100009847220 [1,1,0,0,0,0|2,0,0]=4 500 B16R2.6352 CC=CCSc1ncnc2c1CC(=O)N2 62a_100000070051_100000094081 [1,1,0,0,0,0|2,0,0]=4 501 B16R2.6352 CC=CCSc1ncnc2c1cc([nH]2)C 62a_100000070051_100009847220 [1,1,0,0,0,0|2,0,0]=4 502 B16R2.6353 C/C=C/CSc1ncnc2c1c(c[nH]2)C 62a_100102629194_100000092391 [1,1,0,0,0,0|2,0,0]=4 503 B16R2.6353 C/C=C/CSc1ncnc2c1c(c[nH]2)F 62a_100102629194_100009880486 [1,1,0,0,0,0|2,0,0]=4 504 B16R2.6353 CC=CCSc1ncnc2c1c(c[nH]2)C 62a_100000070051_100000092391 [1,1,0,0,0,0|2,0,0]=4 505 B16R2.6353 CC=CCSc1ncnc2c1c(c[nH]2)F 62a_100000070051_100009880486 [1,1,0,0,0,0|2,0,0]=4 506 B16R2.7680 C/C=C/CSc1ncc(c2c1nc[nH]2)F 62a_100102629194_100009853726 [1,1,0,0,0,0|2,0,0]=4 507 B16R2.7680 CC=CCSc1ncc(c2c1nc[nH]2)F 62a_100000070051_100009853726 [1,1,0,0,0,0|2,0,0]=4 508 B16R2.7689 C/C=C/CSc1nc(nc2c1cc[nH]2)C 62a_100102629194_100000092993 [1,1,0,0,0,0|2,0,0]=4 509 B16R2.7689 C/C=C/CSc1nc(nc2c1nc[nH]2)F 62a_100102629194_100000061921 [1,1,0,0,0,0|1,0,0]=3 510 B16R2.7689 C=CCCNc1nc(nc2c1nc[nH]2)F 27a_100015191253_100000061921 [1,1,0,0,0,0|0,0,2]=4 511 B16R2.7689 CC#CCNc1nc(nc2c1nc[nH]2)F 27a_100000685387_100000061921 [1,1,0,0,0,0|0,0,2]=4 512 B16R2.7689 CC=CCSc1nc(nc2c1cc[nH]2)C 62a_100000070051_100000092993 [1,1,0,0,0,0|2,0,0]=4 513 B16R2.7689 CC=CCSc1nc(nc2c1nc[nH]2)F 62a_100000070051_100000061921 [1,1,0,0,0,0|1,0,0]=3 514 B16R2.7689 CCCCNc1nc(nc2c1nc[nH]2)F 27a_100000102301_100000061921 [1,1,0,0,0,0|0,0,2]=4 515 B16R2.7689 COCCNc1nc(nc2c1nc[nH]2)F 27a_100000209980_100000061921 [1,1,0,0,0,0|1,0,1]=4 516 B16R2.7689 CSCCNc1nc(nc2c1nc[nH]2)F 27a_100020590264_100000061921 [1,1,0,0,0,0|1,0,1]=4 517 B16R2.11632 CC/C=C\CSc1ccnc2c1nc[nH]2 62a_100103147603_100009820729 [1,1,0,0,0,0|2,0,0]=4 518 B16R2.11632 CC/C=C\CSc1nccc2c1nc[nH]2 62a_100103147603_100009820035 [1,1,0,0,0,0|2,0,0]=4 519 B16R2.11632 CC/C=C\CSc1ncnc2c1ncs2 62a_100103147603_100009860286 [1,1,0,0,0,0|2,0,0]=4 520 B16R2.33648 CNC(=O)CNc1ccnc2c1nc[nH]2 27a_100000693194_100009820729 [1,1,0,0,0,0|2,0,0]=4 521 B16R2.33648 CNC(=O)CNc1ncnc2c1ncs2 27a_100000693194_100009860286 [1,1,0,0,0,0|2,0,0]=4 522 B16R2.11 C=C(C)CNc1nccc2c1ncn2C 27a_100000765925_100000075535 [0,1,0,0,1,0|1,0,1]=4 523 B16R2.11 C=C(C)CNc1ncnc2c1ccn2C 27a_100000765925_100000076352 [0,1,0,0,1,0|1,0,1]=4 524 B16R2.11 C=C(C)CNc1ncnc2c1ncn2C 27a_100000765925_100000058137 [0,1,0,0,1,0|0,0,1]=3 525 B16R2.11 C=C(C)CSc1ncnc2c1ncn2C 62a_100000748629_100000058137 [0,1,0,0,1,0|1,0,1]=4 526 B16R2.11 CC(C)C=Cc1ncnc2c1ncn2C 271570a_100016257149_100000058137 [0,1,0,0,1,0|0,0,2]=4 527 B16R2.11 CC(C)CNc1nccc2c1ncn2C 27a_100000210953_100000075535 [0,1,0,0,1,0|1,0,1]=4 528 B16R2.11 CC(C)CNc1ncnc2c1ccn2C 27a_100000210953_100000076352 [0,1,0,0,1,0|1,0,1]=4 529 B16R2.11 CC(C)CNc1ncnc2c1ncn2C 27a_100000210953_100000058137 [0,1,0,0,1,0|0,0,1]=3 530 B16R2.11 CC(C)CSc1ncnc2c1ncn2C 62a_100000210624_100000058137 [0,1,0,0,1,0|1,0,1]=4 531 B16R2.11 CC(O)CNc1ncnc2c1ncn2C 27a_100000210904_100000058137 [0,1,0,0,1,0|1,0,1]=4 532 B16R2.232 C=C(C)CNc1ncnc2c1cc([nH]2)C 27a_100000765925_100009847220 [0,1,0,0,1,0|1,0,1]=4 533 B16R2.232 Cc1cc2c(ncnc2[nH]1)NCC(C)C 27a_100000210953_100009847220 [0,1,0,0,1,0|1,0,1]=4 534 B16R2.3962 C=C(C)CNc1nc(nc2c1cc[nH]2)C 27a_100000765925_100000092993 [0,1,0,0,1,0|1,0,1]=4 535 B16R2.3962 C=C(C)CNc1nc(nc2c1nc[nH]2)F 27a_100000765925_100000061921 [0,1,0,0,1,0|0,0,1]=3 536 B16R2.3962 C=C(C)CSc1nc(nc2c1nc[nH]2)F 62a_100000748629_100000061921 [0,1,0,0,1,0|1,0,1]=4 537 B16R2.3962 CC(C)C=Cc1nc(nc2c1nc[nH]2)N 271570a_100016257149_200000049598 [0,1,0,0,1,0|0,0,2]=4 538 B16R2.3962 CC(C)CNc1nc(nc2c1nc[nH]2)F 27a_100000210953_100000061921 [0,1,0,0,1,0|0,0,1]=3 539 B16R2.3962 CC(C)CSc1nc(nc2c1nc[nH]2)F 62a_100000210624_100000061921 [0,1,0,0,1,0|1,0,1]=4 540 B16R2.3962 CC(O)CNc1nc(nc2c1nc[nH]2)F 27a_100000210904_100000061921 [0,1,0,0,1,0|1,0,1]=4 541 B16R2.3962 Cc1nc(c2cc[nH]c2n1)NCC(C)C 27a_100000210953_100000092993 [0,1,0,0,1,0|1,0,1]=4 542 B16R2.49441 CC(C)C(C)Nc1ccnc2c1nc[nH]2 27a_100000211541_100009820729 [0,1,0,0,1,0|1,0,1]=4 543 B16R2.49441 CC(C)C(C)Nc1ncnc2c1ncs2 27a_100000211541_100009860286 [0,1,0,0,1,0|1,0,1]=4 544 B16R2.52113 CC(C)(C)CNc1ccnc2c1nc[nH]2 27a_100000743828_100009820729 [0,1,0,0,1,0|1,0,1]=4 545 B16R2.52113 CC(C)(C)CNc1ncnc2c1ncs2 27a_100000743828_100009860286 [0,1,0,0,1,0|1,0,1]=4 546 B16R2.52113 CC(C)(F)CNc1ccnc2c1nc[nH]2 27a_100020643315_100009820729 [0,1,0,0,1,0|1,0,1]=4 547 B16R2.52113 CC(C)(F)CNc1ncnc2c1ncs2 27a_100020643315_100009860286 [0,1,0,0,1,0|1,0,1]=4 548 B16R2.52113 CC(C)(O)CNc1ccnc2c1nc[nH]2 27a_100000751335_100009820729 [0,1,0,0,1,0|1,0,1]=4 549 B16R2.52113 CC(C)(O)CNc1ncnc2c1ncs2 27a_100000751335_100009860286 [0,1,0,0,1,0|1,0,1]=4 550 B16R2.52113 C[Si](C)(C)CNc1ccnc2c1nc[nH]2 27a_102516607284_100009820729 [0,1,0,0,1,0|1,1,0]=4 551 B16R2.52113 C[Si](C)(C)CNc1ncnc2c1ncs2 27a_102516607284_100009860286 [0,1,0,0,1,0|1,1,0]=4 552 B16R2.79408 C=C(C)CN(C)c1ccnc2c1nc[nH]2 27a_100000225649_100009820729 [0,1,0,0,1,0|1,0,1]=4 553 B16R2.79408 C=C(C)CN(C)c1ncnc2c1ncs2 27a_100000225649_100009860286 [0,1,0,0,1,0|1,0,1]=4 554 B16R2.79408 CC(C)CN(C)c1ccnc2c1nc[nH]2 27a_100000747067_100009820729 [0,1,0,0,1,0|1,0,1]=4 555 B16R2.79408 CC(C)CN(C)c1ncnc2c1ncs2 27a_100000747067_100009860286 [0,1,0,0,1,0|1,0,1]=4 556 B16R2.97896 C=C(C)CNc1ncnc2c1c(c[nH]2)C 27a_100000765925_100000092391 [0,1,0,0,1,0|1,0,1]=4 557 B16R2.97896 C=C(C)CNc1ncnc2c1c(c[nH]2)F 27a_100000765925_100009880486 [0,1,0,0,1,0|1,0,1]=4 558 B16R2.97896 CC(C)CNc1ncnc2c1c(c[nH]2)F 27a_100000210953_100009880486 [0,1,0,0,1,0|1,0,1]=4 559 B16R2.97896 Cc1c[nH]c2c1c(ncn2)NCC(C)C 27a_100000210953_100000092391 [0,1,0,0,1,0|1,0,1]=4 560 B18R2.6 CC(=CCCSc1nccc2c1ncn2C)C 62a_100011217483_100000075535 [0,1,0,0,0,1|2,0,0]=4 561 B18R2.6 CC(=CCCSc1ncnc2c1ccn2C)C 62a_100011217483_100000076352 [0,1,0,0,0,1|2,0,0]=4 562 B18R2.6 CC(=CCCSc1ncnc2c1ncn2C)C 62a_100011217483_100000058137 [0,1,0,0,0,1|1,0,0]=3 563 B18R2.6 CC(=O)NCCNc1ncnc2c1ncn2C 27a_100000209853_100000058137 [0,1,0,0,0,1|1,0,1]=4 564 B18R2.6 CC(C)CCCNc1ncnc2c1ncn2C 27a_200000737386_100000058137 [0,1,0,0,0,1|0,0,2]=4 565 B18R2.6 CC(C)OCCNc1ncnc2c1ncn2C 27a_100000701111_100000058137 [0,1,0,0,0,1|0,0,2]=4 566 B18R2.6 CC(C)SCCNc1ncnc2c1ncn2C 27a_100000731138_100000058137 [0,1,0,0,0,1|0,0,2]=4 567 B18R2.6 CN(C)CCCNc1ncnc2c1ncn2C 27a_102531767803_100000058137 [0,1,0,0,0,1|1,0,1]=4 568 B18R2.6113 CC(=CCCSc1nc(nc2c1cc[nH]2)C)C 62a_100011217483_100000092993 [0,1,0,0,0,1|2,0,0]=4 569 B18R2.6113 CC(=CCCSc1nc(nc2c1nc[nH]2)F)C 62a_100011217483_100000061921 [0,1,0,0,0,1|1,0,0]=3 570 B18R2.6113 CC(=O)NCCNc1nc(nc2c1nc[nH]2)F 27a_100000209853_100000061921 [0,1,0,0,0,1|1,0,1]=4 571 B18R2.6113 CC(C)CCCNc1nc(nc2c1nc[nH]2)F 27a_200000737386_100000061921 [0,1,0,0,0,1|0,0,2]=4 572 B18R2.6113 CC(C)OCCNc1nc(nc2c1nc[nH]2)F 27a_100000701111_100000061921 [0,1,0,0,0,1|0,0,2]=4 573 B18R2.6113 CC(C)SCCNc1nc(nc2c1nc[nH]2)F 27a_100000731138_100000061921 [0,1,0,0,0,1|0,0,2]=4 574 B18R2.6113 CN(C)CCCNc1nc(nc2c1nc[nH]2)F 27a_102531767803_100000061921 [0,1,0,0,0,1|1,0,1]=4 575 B18R2.6448 CC(=CCCSc1ncnc2c1CC(=O)N2)C 62a_100011217483_100000094081 [0,1,0,0,0,1|2,0,0]=4 576 B18R2.6448 CC(=CCCSc1ncnc2c1cc([nH]2)C)C 62a_100011217483_100009847220 [0,1,0,0,0,1|2,0,0]=4 577 B18R2.62474 CC(=CCCSc1ncc(c2c1nc[nH]2)F)C 62a_100011217483_100009853726 [0,1,0,0,0,1|2,0,0]=4 578 B18R2.339105 CC(=CCCSc1ncnc2c1c(c[nH]2)C)C 62a_100011217483_100000092391 [0,1,0,0,0,1|2,0,0]=4 579 B18R2.339105 CC(=CCCSc1ncnc2c1c(c[nH]2)F)C 62a_100011217483_100009880486 [0,1,0,0,0,1|2,0,0]=4 580 B18R2.558178 CC(=CCNC(=O)c1cccc2c1nc[nH]2)C 527a_100000718196_100000691283 [0,1,0,0,0,1|2,0,0]=4 581 B18R2.560567 CC(C)NC(=O)CNc1ccnc2c1nc[nH]2 27a_100000168517_100009820729 [0,1,0,0,0,1|1,0,1]=4 582 B18R2.560567 CC(C)NC(=O)CNc1ncnc2c1ncs2 27a_100000168517_100009860286 [0,1,0,0,0,1|1,0,1]=4 583 B18R2.565142 CN(C)C(=O)CCNc1ccnc2c1nc[nH]2 27a_100000738053_100009820729 [0,1,0,0,0,1|2,0,0]=4 584 B18R2.565142 CN(C)C(=O)CCNc1ncnc2c1ncs2 27a_100000738053_100009860286 [0,1,0,0,0,1|2,0,0]=4 585 B18R2.4028 CC(=CCNc1ccnc2c1ncc(c2)F)C 27a_100000718196_100011072215 [0,1,0,0,0,1|2,0,0]=4 586 B18R2.4028 CC(=CCNc1ncnc2c1ccc(c2)C)C 27a_100000718196_100000099684 [0,1,0,0,0,1|2,0,0]=4 587 B18R2.4028 CC(=CCNc1ncnc2c1ccc(c2)F)C 27a_100000718196_100000230349 [0,1,0,0,0,1|2,0,0]=4 588 B18R2.6165 CC(=CCNc1nc(cc2c1nccc2)N)C 27a_100000718196_100010205410 [0,1,0,0,0,1|2,0,0]=4 589 B18R2.6165 CC(=CCNc1nc(nc2c1cccc2)C)C 27a_100000718196_100000230251 [0,1,0,0,0,1|2,0,0]=4 590 B18R2.31660 CC(=CCNc1ccnc2c1nc(cc2)C)C 27a_100000718196_100009889967 [0,1,0,0,0,1|2,0,0]=4 591 B18R2.31660 CC(=CCNc1ccnc2c1nc(cc2)F)C 27a_100000718196_100000719316 [0,1,0,0,0,1|2,0,0]=4 592 B18R2.31660 CC(=CCNc1ncnc2c1cc(cc2)C)C 27a_100000718196_100000743341 [0,1,0,0,0,1|2,0,0]=4 593 B18R2.31660 CC(=CCNc1ncnc2c1cc(cc2)F)C 27a_100000718196_100000743340 [0,1,0,0,0,1|2,0,0]=4 594 B18R2.59629 CC(=CCNc1cccc2c1nc[nH]c2=O)C 27a_100000718196_100000741247 [0,1,0,0,0,1|2,0,0]=4 595 B18R2.59629 CC(=CCNc1ccnc2c1nccc2C)C 27a_100000718196_200013369187 [0,1,0,0,0,1|2,0,0]=4 596 B18R2.59629 CC(=CCNc1ncnc2c1cccc2C)C 27a_100000718196_100000751292 [0,1,0,0,0,1|2,0,0]=4 597 B18R2.59629 CC(=CCNc1ncnc2c1cccc2F)C 27a_100000718196_100000693626 [0,1,0,0,0,1|2,0,0]=4 598 B18R2.481234 CC(=CCNc1ncnc2c1c(ccc2)F)C 27a_100000718196_100000743342 [0,1,0,0,0,1|2,0,0]=4 599 B18R2.2417296 CN(C)C(=O)CNc1ncnc2c1nccc2 27a_100015183351_100000063688 [0,1,0,0,0,1|2,0,0]=4 600 B18R2.7 CC(C)CCN(C)c1ncnc2c1ncn2C 27a_100000742789_100000058137 [0,2,0,0,0,0|0,0,2]=4 601 B18R2.7 CN(C)CCN(C)c1ncnc2c1ncn2C 27a_100000225618_100000058137 [0,2,0,0,0,0|1,0,1]=4 602 B18R2.8 CC(=O)C(=O)CSc1ncnc2c1ncn2C 62a_100011261029_100000058137 [0,2,0,0,0,0|2,0,0]=4 603 B18R2.8 CC(C)C(=O)CSc1ncnc2c1ncn2C 62a_100000753385_100000058137 [0,2,0,0,0,0|1,0,1]=4 604 B18R2.8 CC(C)C(O)CNc1ncnc2c1ncn2C 27a_100000759067_100000058137 [0,2,0,0,0,0|0,0,2]=4 605 B18R2.8 CN(C)C(=O)CCc1ncnc2c1ncn2C 271570a_200010232142_100000058137 [0,2,0,0,0,0|2,0,0]=4 606 B18R2.8 CN(C)C(=O)CNc1nccc2c1ncn2C 27a_100015183351_100000075535 [0,2,0,0,0,0|2,0,0]=4 607 B18R2.8 CN(C)C(=O)CNc1ncnc2c1ccn2C 27a_100015183351_100000076352 [0,2,0,0,0,0|2,0,0]=4 608 B18R2.8 CN(C)C(=O)CNc1ncnc2c1ncn2C 27a_100015183351_100000058137 [0,2,0,0,0,0|1,0,0]=3 609 B18R2.8 CN(C)C(=O)CSc1ncnc2c1ncn2C 62a_100000692301_100000058137 [0,2,0,0,0,0|2,0,0]=4 610 B18R2.32 CCn1cnc2c1ncnc2NCC=C(C)C 27a_100000718196_100000058139 [0,2,0,0,0,0|0,0,0]=2 611 B18R2.32 CCn1cnc2c1ncnc2NCCC(C)C 27a_100000210545_100000058139 [0,2,0,0,0,0|0,0,2]=4 612 B18R2.32 CCn1cnc2c1ncnc2NCCN(C)C 27a_100000210585_100000058139 [0,2,0,0,0,0|1,0,1]=4 613 B18R2.32 CCn1cnc2c1ncnc2SCC=C(C)C 62a_100000761012_100000058139 [0,2,0,0,0,0|1,0,0]=3 614 B18R2.2472 Cn1cnc2c1ncnc2NCCC(C)(C)C 27a_100000738805_100000058137 [0,2,0,0,0,0|0,0,2]=4 615 B18R2.2472 Cn1cnc2c1ncnc2NCCC(C)(C)F 27a_100016253952_100000058137 [0,2,0,0,0,0|0,0,2]=4 616 B18R2.2472 Cn1cnc2c1ncnc2NCCC(C)(C)O 27a_100000707701_100000058137 [0,2,0,0,0,0|0,0,2]=4 617 B18R2.2472 Cn1cnc2c1ncnc2NCC[N+](C)(C)C 27a_100000106457_100000058137 [0,2,0,0,0,0|1,0,1]=4 618 B18R2.2476 CC(C)CC(C)Nc1ncnc2c1ncn2C 27a_100000692259_100000058137 [0,2,0,0,0,0|0,0,2]=4 619 B18R2.2476 CC(CN(C)C)Nc1ncnc2c1ncn2C 27a_100016992788_100000058137 [0,2,0,0,0,0|1,0,1]=4 620 B18R2.101416 CC(CO)CCNc1ncnc2c1ncn2C 27a_106354213184_100000058137 [0,2,0,0,0,0|0,0,2]=4 621 B18R2.101416 CCC(C)CCNc1ncnc2c1ncn2C 27a_100020591266_100000058137 [0,2,0,0,0,0|0,0,2]=4 622 B18R2.101416 CNC(=O)CCNc1ncnc2c1ncn2C 27a_100000738227_100000058137 [0,2,0,0,0,0|1,0,1]=4 623 B18R2.343050 CC(=CCNc1nc(cc2c1ncn2C)C)C 27a_100000718196_100000091626 [0,2,0,0,0,0|1,0,0]=3 624 B18R2.343050 CC(=CCNc1nc(nc2c1cnn2C)C)C 27a_100000718196_100000743007 [0,2,0,0,0,0|2,0,0]=4 625 B18R2.343050 CC(=CCNc1nc(nc2c1cnn2C)N)C 27a_100000718196_100000144275 [0,2,0,0,0,0|2,0,0]=4 626 B18R2.343050 CC(=CCNc1nc(nc2c1ncn2C)N)C 27a_100000718196_100000708713 [0,2,0,0,0,0|0,0,0]=2 627 B18R2.343050 CC(=CCSc1nc(cc2c1ncn2C)C)C 62a_100000761012_100000091626 [0,2,0,0,0,0|2,0,0]=4 628 B18R2.343050 CC(=CCSc1nc(nc2c1ncn2C)N)C 62a_100000761012_100000708713 [0,2,0,0,0,0|1,0,0]=3 629 B18R2.343050 CC(C)CCNc1nc(nc2c1ncn2C)N 27a_100000210545_100000708713 [0,2,0,0,0,0|0,0,2]=4 630 B18R2.343050 CN(C)CCNc1nc(nc2c1ncn2C)N 27a_100000210585_100000708713 [0,2,0,0,0,0|1,0,1]=4 631 B18R2.666 CCc1nc(c2ccsc2n1)NCC=C(C)C 27a_100000718196_200000693752 [0,2,0,0,0,0|2,0,0]=4 632 B18R2.666 CSc1nc(c2cc[nH]c2n1)NCC=C(C)C 27a_100000718196_100000090414 [0,2,0,0,0,0|1,0,0]=3 633 B18R2.666 CSc1nc(c2cc[nH]c2n1)SCC=C(C)C 62a_100000761012_100000090414 [0,2,0,0,0,0|2,0,0]=4 634 B18R2.666 CSc1nc(c2sccc2n1)NCC=C(C)C 27a_100000718196_100012339926 [0,2,0,0,0,0|2,0,0]=4 635 B18R2.666 CSc1nc(n2nccc2n1)NCC=C(C)C 27a_100000718196_100010188542 [0,2,0,0,0,0|2,0,0]=4 636 B18R2.6112 CC(C)(C)CCNc1nc(nc2c1nc[nH]2)F 27a_100000738805_100000061921 [0,2,0,0,0,0|0,0,2]=4 637 B18R2.6112 CC(C)(F)CCNc1nc(nc2c1nc[nH]2)F 27a_100016253952_100000061921 [0,2,0,0,0,0|0,0,2]=4 638 B18R2.6112 CC(C)(O)CCNc1nc(nc2c1nc[nH]2)F 27a_100000707701_100000061921 [0,2,0,0,0,0|0,0,2]=4 639 B18R2.6112 C[N+](C)(C)CCNc1nc(nc2c1nc[nH]2)F 27a_100000106457_100000061921 [0,2,0,0,0,0|1,0,1]=4 640 B18R2.6114 CC(C)CCN(C)c1nc(nc2c1nc[nH]2)F 27a_100000742789_100000061921 [0,2,0,0,0,0|0,0,2]=4 641 B18R2.6114 CN(C)CCN(C)c1nc(nc2c1nc[nH]2)F 27a_100000225618_100000061921 [0,2,0,0,0,0|1,0,1]=4 642 B18R2.60547 CC(C)CC(C)Nc1nc(nc2c1nc[nH]2)F 27a_100000692259_100000061921 [0,2,0,0,0,0|0,0,2]=4 643 B18R2.60547 CC(CN(C)C)Nc1nc(nc2c1nc[nH]2)F 27a_100016992788_100000061921 [0,2,0,0,0,0|1,0,1]=4 644 B18R2.60548 CC(=O)C(=O)CSc1nc(nc2c1nc[nH]2)F 62a_100011261029_100000061921 [0,2,0,0,0,0|2,0,0]=4 645 B18R2.60548 CC(C)C(=O)CSc1nc(nc2c1nc[nH]2)F 62a_100000753385_100000061921 [0,2,0,0,0,0|1,0,1]=4 646 B18R2.60548 CC(C)C(O)CNc1nc(nc2c1nc[nH]2)F 27a_100000759067_100000061921 [0,2,0,0,0,0|0,0,2]=4 647 B18R2.60548 CN(C)C(=O)CCc1nc(nc2c1nc[nH]2)N 271570a_200010232142_200000049598 [0,2,0,0,0,0|2,0,0]=4 648 B18R2.60548 CN(C)C(=O)CNc1nc(nc2c1nc[nH]2)F 27a_100015183351_100000061921 [0,2,0,0,0,0|1,0,0]=3 649 B18R2.60548 CN(C)C(=O)CSc1nc(nc2c1nc[nH]2)F 62a_100000692301_100000061921 [0,2,0,0,0,0|2,0,0]=4 650 B18R2.60548 Cc1nc(c2cc[nH]c2n1)NCC(=O)N(C)C 27a_100015183351_100000092993 [0,2,0,0,0,0|2,0,0]=4 651 B18R2.96309 CC(CO)CCNc1nc(nc2c1nc[nH]2)F 27a_106354213184_100000061921 [0,2,0,0,0,0|0,0,2]=4 652 B18R2.96309 CCC(C)CCNc1nc(nc2c1nc[nH]2)F 27a_100020591266_100000061921 [0,2,0,0,0,0|0,0,2]=4 653 B18R2.96309 CNC(=O)CCNc1nc(nc2c1nc[nH]2)F 27a_100000738227_100000061921 [0,2,0,0,0,0|1,0,1]=4 654 B18R2.1425 CCc1cc2c(ncnc2s1)NCC=C(C)C 27a_100000718196_100000183878 [0,2,0,0,0,0|2,0,0]=4 655 B18R2.65412 CC(=CCNc1ncnc2c1c(c(s2)C)C)C 27a_100000718196_100000183246 [0,2,0,0,0,0|2,0,0]=4 656 B18R2.65535 Cc1cc2c(ncnc2[nH]1)NCC(=O)N(C)C 27a_100015183351_100009847220 [0,2,0,0,0,0|2,0,0]=4 657 B18R2.17995 CC(=CCNc1c(cnc2c1cc[nH]2)C#N)C 27a_100000718196_100000097403 [0,2,0,0,0,0|2,0,0]=4 658 B18R2.125933 CON(C)C(=O)CNc1ccnc2c1nc[nH]2 27a_100015207273_100009820729 [0,2,0,0,0,0|2,0,0]=4 659 B18R2.125933 CON(C)C(=O)CNc1ncnc2c1ncs2 27a_100015207273_100009860286 [0,2,0,0,0,0|2,0,0]=4 660 B18R2.277098 C[C@H](Nc1ccnc2c1nc[nH]2)C(=O)N(C)C 27a_100000697320_100009820729 [0,2,0,0,0,0|2,0,0]=4 661 B18R2.277098 C[C@H](Nc1ncnc2c1ncs2)C(=O)N(C)C 27a_100000697320_100009860286 [0,2,0,0,0,0|2,0,0]=4 662 B18R2.557571 CN(C)C(=O)CN(C)c1ccnc2c1nc[nH]2 27a_100000185065_100009820729 [0,2,0,0,0,0|2,0,0]=4 663 B18R2.557571 CN(C)C(=O)CN(C)c1ncnc2c1ncs2 27a_100000185065_100009860286 [0,2,0,0,0,0|2,0,0]=4 664 B18R2.3081942 CN(C)C(=O)CNc1ncnc2c1c(c[nH]2)F 27a_100015183351_100009880486 [0,2,0,0,0,0|2,0,0]=4 665 B18R2.3081942 Cc1c[nH]c2c1c(ncn2)NCC(=O)N(C)C 27a_100015183351_100000092391 [0,2,0,0,0,0|2,0,0]=4 666 B18R2.859145 CC(=CCNc1ncnc2c1c(c[nH]2)C#N)C 27a_100000718196_100009847449 [0,2,0,0,0,0|1,0,0]=3 667 B18R2.859145 CC(=CCSc1ncnc2c1c(c[nH]2)C#N)C 62a_100000761012_100009847449 [0,2,0,0,0,0|2,0,0]=4 668 B18R2.859145 CC(=CCSc1ncnc2c1c(c[nH]2)C=O)C 62a_100000761012_100009849210 [0,2,0,0,0,0|2,0,0]=4 669 B18R2.859145 CCc1c[nH]c2c1c(ncn2)NCC=C(C)C 27a_100000718196_100009876448 [0,2,0,0,0,0|1,0,0]=3 670 B18R2.859145 CCc1c[nH]c2c1c(ncn2)SCC=C(C)C 62a_100000761012_100009876448 [0,2,0,0,0,0|2,0,0]=4 671 B16R2.27160 CC(=CCNc1cc2ncnn2cn1)C 27a_100000718196_100000101099 [0,0,1,1,0,0|0,0,2]=4 672 B16R2.27160 CC(=CCNc1ncc2nc[nH]c2n1)C 27a_100000718196_100000009038 [0,0,1,1,0,0|2,0,0]=4 673 B16R3.5924 C1=CCN(C1)c2ccnc3c2nc[nH]3 27a_100015195280_100009820729 [1,0,0,1,0,0|1,0,0]=3 674 B16R3.5924 C1=CCN(C1)c2ccnc3c2nn[nH]3 27a_100015195280_100009853804 [1,0,0,1,0,0|2,0,0]=4 675 B16R3.5924 C1=CCN(C1)c2ncnc3c2CCN3 27a_100015195280_200000104052 [1,0,0,1,0,0|1,0,1]=4 676 B16R3.5924 C1=CCN(C1)c2ncnc3c2[nH]cc3 27a_100015195280_100000084117 [1,0,0,1,0,0|1,0,1]=4 677 B16R3.5924 C1=CCN(C1)c2ncnc3c2[nH]cn3 27a_100015195280_100011215200 [1,0,0,1,0,0|0,0,2]=4 678 B16R3.5924 C1=CCN(C1)c2ncnc3c2cco3 27a_100015195280_100000094286 [1,0,0,1,0,0|2,0,0]=4 679 B16R3.5924 C1=CCN(C1)c2ncnc3c2ccs3 27a_100015195280_100000183654 [1,0,0,1,0,0|2,0,0]=4 680 B16R3.5924 C1=CCN(C1)c2ncnc3c2cn[nH]3 27a_100015195280_100000735611 [1,0,0,1,0,0|2,0,0]=4 681 B16R3.5924 C1=CCN(C1)c2ncnc3c2ncs3 27a_100015195280_100009860286 [1,0,0,1,0,0|1,0,0]=3 682 B16R3.5924 C1=CCN(C1)c2ncnc3c2scc3 27a_100015195280_100000234879 [1,0,0,1,0,0|2,0,0]=4 683 B16R3.32873 CC1CN(C1)c2ccnc3c2nc[nH]3 27a_100000702820_100009820729 [0,0,0,1,1,0|1,0,1]=4 684 B16R3.32873 CC1CN(C1)c2ncnc3c2ncs3 27a_100000702820_100009860286 [0,0,0,1,1,0|1,0,1]=4 685 B18R3.31674 CC1=CCCN(C1)c2ccnc3c2nc[nH]3 27a_100000725631_100009820729 [0,0,0,1,0,1|1,0,0]=3 686 B18R3.31674 CC1=CCCN(C1)c2ccnc3c2nn[nH]3 27a_100000725631_100009853804 [0,0,0,1,0,1|2,0,0]=4 687 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2CCN3 27a_100000725631_200000104052 [0,0,0,1,0,1|1,0,1]=4 688 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2[nH]cc3 27a_100000725631_100000084117 [0,0,0,1,0,1|1,0,1]=4 689 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2[nH]cn3 27a_100000725631_100011215200 [0,0,0,1,0,1|0,0,2]=4 690 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2cco3 27a_100000725631_100000094286 [0,0,0,1,0,1|2,0,0]=4 691 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2ccs3 27a_100000725631_100000183654 [0,0,0,1,0,1|2,0,0]=4 692 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2cn[nH]3 27a_100000725631_100000735611 [0,0,0,1,0,1|2,0,0]=4 693 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2ncs3 27a_100000725631_100009860286 [0,0,0,1,0,1|1,0,0]=3 694 B18R3.31674 CC1=CCCN(C1)c2ncnc3c2scc3 27a_100000725631_100000234879 [0,0,0,1,0,1|2,0,0]=4 695 B18R3.2055 C=C1CC(C1)Nc2ncnc3c2ncn3C 27a_100132301982_100000058137 [0,1,0,1,0,0|0,0,2]=4 696 B18R3.4181 Cn1cnc2c1ncnc2NCCC3CC3 27a_100000764129_100000058137 [0,1,0,1,0,0|0,0,2]=4 697 B18R3.394761 C[C@@H]1CCN(C1)c2ncnc3c2ncn3C 27a_100016987628_100000058137 [0,1,0,1,0,0|0,0,2]=4 698 B18R3.394761 Cn1cnc2c1ncnc2N3CNC(=O)C3 27a_200000708111_100000058137 [0,1,0,1,0,0|2,0,0]=4 699 B18R3.92026 C=C1CC(C1)Nc2nc(nc3c2nc[nH]3)F 27a_100132301982_100000061921 [0,1,0,1,0,0|0,0,2]=4 700 B18R3.92027 Fc1nc(c2nc[nH]c2n1)NCCC3CC3 27a_100000764129_100000061921 [0,1,0,1,0,0|0,0,2]=4 701 B18R3.394747 C[C@@H]1CCN(C1)c2nc(nc3c2nc[nH]3)F 27a_100016987628_100000061921 [0,1,0,1,0,0|0,0,2]=4 702 B18R3.394747 O=C1CN(CN1)c2nc(nc3c2nc[nH]3)F 27a_200000708111_100000061921 [0,1,0,1,0,0|2,0,0]=4 703 B18R3.8788 CC1=CCN(CC1)c2ccnc3c2nc[nH]3 27a_100000693516_100009820729 [0,1,0,1,0,0|1,0,0]=3 704 B18R3.8788 CC1=CCN(CC1)c2ccnc3c2nn[nH]3 27a_100000693516_100009853804 [0,1,0,1,0,0|2,0,0]=4 705 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2CCN3 27a_100000693516_200000104052 [0,1,0,1,0,0|1,0,1]=4 706 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2[nH]cc3 27a_100000693516_100000084117 [0,1,0,1,0,0|1,0,1]=4 707 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2[nH]cn3 27a_100000693516_100011215200 [0,1,0,1,0,0|0,0,2]=4 708 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2cco3 27a_100000693516_100000094286 [0,1,0,1,0,0|2,0,0]=4 709 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2ccs3 27a_100000693516_100000183654 [0,1,0,1,0,0|2,0,0]=4 710 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2cn[nH]3 27a_100000693516_100000735611 [0,1,0,1,0,0|2,0,0]=4 711 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2ncs3 27a_100000693516_100009860286 [0,1,0,1,0,0|1,0,0]=3 712 B18R3.8788 CC1=CCN(CC1)c2ncnc3c2scc3 27a_100000693516_100000234879 [0,1,0,1,0,0|2,0,0]=4 713 B14R2.9440 CC(=Cc1cccc2c1nc[nH]2)C 271570a_100102525489_100011935113 [0,0,0,0,2,0|2,0,0]=4 714 B14R2.9440 CC(=Cc1ccnc2c1cc[nH]2)C 271570a_100102525489_100000049914 [0,0,0,0,2,0|2,0,0]=4 715 B14R2.9440 CC(=Cc1ccnc2c1nc[nH]2)C 271570a_100102525489_100009820729 [0,0,0,0,2,0|1,0,0]=3 716 B14R2.9440 CC(=Cc1ccnc2c1nn[nH]2)C 271570a_100102525489_100009853804 [0,0,0,0,2,0|2,0,0]=4 717 B14R2.9440 CC(=Cc1nccc2c1cc[nH]2)C 271570a_100102525489_100000086534 [0,0,0,0,2,0|2,0,0]=4 718 B14R2.9440 CC(=Cc1nccc2c1nc[nH]2)C 271570a_100102525489_100009820035 [0,0,0,0,2,0|1,0,0]=3 719 B14R2.9440 CC(=Cc1ncnc2c1CCN2)C 271570a_100102525489_200000104052 [0,0,0,0,2,0|1,0,1]=4 720 B14R2.9440 CC(=Cc1ncnc2c1[nH]cc2)C 271570a_100102525489_100000084117 [0,0,0,0,2,0|1,0,1]=4 721 B14R2.9440 CC(=Cc1ncnc2c1cco2)C 271570a_100102525489_100000094286 [0,0,0,0,2,0|2,0,0]=4 722 B14R2.9440 CC(=Cc1ncnc2c1ccs2)C 271570a_100102525489_100000183654 [0,0,0,0,2,0|2,0,0]=4 723 B14R2.9440 CC(=Cc1ncnc2c1cn[nH]2)C 271570a_100102525489_100000735611 [0,0,0,0,2,0|2,0,0]=4 724 B14R2.9440 CC(=Cc1ncnc2c1ncs2)C 271570a_100102525489_100009860286 [0,0,0,0,2,0|1,0,0]=3 725 B14R2.9440 CC(=Cc1ncnc2c1scc2)C 271570a_100102525489_100000234879 [0,0,0,0,2,0|2,0,0]=4 726 B14R2.9440 CC(C)Nc1ccnc2c1nc[nH]2 27a_100138425928_100009820729 [0,0,0,0,2,0|1,0,1]=4 727 B14R2.9440 CC(C)Nc1ncnc2c1ncs2 27a_100138425928_100009860286 [0,0,0,0,2,0|1,0,1]=4 728 B16R2.50359 C/C=C/CSc1ncnc2c1nccc2 62a_100102629194_100000063688 [1,0,0,0,0,1|2,0,0]=4 729 B16R2.50359 CC=CCSc1ncnc2c1nccc2 62a_100000070051_100000063688 [1,0,0,0,0,1|2,0,0]=4 730 B18R2.556536 CC(=CCCSc1ncnc2c1nccc2)C 62a_100011217483_100000063688 [0,0,0,0,0,2|2,0,0]=4