0 B18R2.16190 C#CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100010269958_100020644719 [0,0,0,0,0,0|0,0,4]=4 1 B18R2.16190 C=CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215482_100020644719 [0,0,0,0,0,0|0,0,4]=4 2 B18R2.16190 CC/C=C\CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100015370543_100020644719 [0,0,0,0,0,0|0,0,4]=4 3 B18R2.16190 CCCCCC=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100000062253_100009812310 [0,0,0,0,0,0|1,0,3]=4 4 B18R2.16190 CCCCCCNc1cc2nccn2c(n1)O 27a_100000210581_100015273213 [0,0,0,0,0,0|4,0,0]=4 5 B18R2.16190 CCCCCCNc1nc(c2nc[nH]c2n1)C 27a_100000210581_100000093496 [0,0,0,0,0,0|2,0,2]=4 6 B18R2.16190 CCCCCCNc1nc(c2nc[nH]c2n1)N 27a_100000210581_100102524922 [0,0,0,0,0,0|2,0,2]=4 7 B18R2.16190 CCCCCCNc1nc(c2sccc2n1)N 27a_100000210581_100012002325 [0,0,0,0,0,0|4,0,0]=4 8 B18R2.16190 CCCCCCNc1nc(c2sccc2n1)O 27a_100000210581_100012177178 [0,0,0,0,0,0|3,0,0]=3 9 B18R2.16190 CCCCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000210581_100020644719 [0,0,0,0,0,0|1,0,2]=3 10 B18R2.16190 CCCCCCSc1cc(c2[nH]ccc2c1)C 62a_100000210314_100009817142 [0,0,0,0,0,0|4,0,0]=4 11 B18R2.16190 CCCCCCSc1cc(c2[nH]ccc2c1)F 62a_100000210314_100010138380 [0,0,0,0,0,0|4,0,0]=4 12 B18R2.16190 CCCCCCSc1cc(c2[nH]ccc2c1)N 62a_100000210314_100009813507 [0,0,0,0,0,0|4,0,0]=4 13 B18R2.16190 CCCCCCSc1nc(c2c(n1)CCC2)N 62a_100000107085_100000210757 [0,0,0,0,0,0|3,0,1]=4 14 B18R2.16190 CCCCCCSc1nc(c2c(n1)CCC2)N 62a_100000210314_100000107085 [0,0,0,0,0,0|3,0,1]=4 15 B18R2.16190 CCCCCCSc1nc(c2cn[nH]c2n1)N 62a_100000210314_100000696086 [0,0,0,0,0,0|3,0,1]=4 16 B18R2.16190 CCCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210314_100000093496 [0,0,0,0,0,0|1,0,2]=3 17 B18R2.16190 CCCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210757 [0,0,0,0,0,0|3,0,0]=3 18 B18R2.16190 CCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210314_100010207356 [0,0,0,0,0,0|1,0,2]=3 19 B18R2.16190 CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210314_100020644719 [0,0,0,0,0,0|0,0,2]=2 20 B18R2.16190 CCCCOCSc1nc(c2nc[nH]c2n1)C 62a_100011995733_100000093496 [0,0,0,0,0,0|2,0,2]=4 21 B18R2.16190 CCCCOCSc1nc(c2sccc2n1)N 62a_100012002325_100011995733 [0,0,0,0,0,0|4,0,0]=4 22 B18R2.16190 CCCCOCSc1nc-2ncnc2c([nH]1)Cl 62a_100011995733_100010207356 [0,0,0,0,0,0|2,0,2]=4 23 B18R2.16190 CCCCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011995733_100020644719 [0,0,0,0,0,0|1,0,2]=3 24 B18R2.16190 CCCOCCNc1nc(c2sccc2n1)O 27a_100161115042_100012177178 [0,0,0,0,0,0|4,0,0]=4 25 B18R2.16190 CCCOCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100161115042_100020644719 [0,0,0,0,0,0|2,0,2]=4 26 B18R2.16190 CCCOCCSc1nc(c2nc[nH]c2n1)C 62a_100011215938_100000093496 [0,0,0,0,0,0|2,0,2]=4 27 B18R2.16190 CCCOCCSc1nc(c2sccc2n1)N 62a_100012002325_100011215938 [0,0,0,0,0,0|4,0,0]=4 28 B18R2.16190 CCCOCCSc1nc-2ncnc2c([nH]1)Cl 62a_100011215938_100010207356 [0,0,0,0,0,0|2,0,2]=4 29 B18R2.16190 CCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215938_100020644719 [0,0,0,0,0,0|1,0,2]=3 30 B18R2.16190 CCCSCCNc1nc(c2sccc2n1)O 27a_100020603323_100012177178 [0,0,0,0,0,0|4,0,0]=4 31 B18R2.16190 CCCSCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100020603323_100020644719 [0,0,0,0,0,0|2,0,2]=4 32 B18R2.16190 CCOCCCNc1nc(c2sccc2n1)O 27a_100000210961_100012177178 [0,0,0,0,0,0|4,0,0]=4 33 B18R2.16190 CCOCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000210961_100020644719 [0,0,0,0,0,0|2,0,2]=4 34 B18R2.16190 CCOCCCSc1nc(c2nc[nH]c2n1)C 62a_100012232248_100000093496 [0,0,0,0,0,0|2,0,2]=4 35 B18R2.16190 CCOCCCSc1nc(c2sccc2n1)N 62a_100012002325_100012232248 [0,0,0,0,0,0|4,0,0]=4 36 B18R2.16190 CCOCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100012232248_100010207356 [0,0,0,0,0,0|2,0,2]=4 37 B18R2.16190 CCOCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012232248_100020644719 [0,0,0,0,0,0|1,0,2]=3 38 B18R2.16190 COCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000730899_100000093496 [0,0,0,0,0,0|2,0,2]=4 39 B18R2.16190 COCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000730899 [0,0,0,0,0,0|4,0,0]=4 40 B18R2.16190 COCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000730899_100010207356 [0,0,0,0,0,0|2,0,2]=4 41 B18R2.16190 COCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000730899_100020644719 [0,0,0,0,0,0|1,0,2]=3 42 B18R2.16190 COCCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000231047_100020644719 [0,0,0,0,0,0|2,0,2]=4 43 B18R2.16190 Cc1nc(nc2c1nc[nH]2)SCCCCCF 62a_100000729378_100000093496 [0,0,0,0,0,0|2,0,2]=4 44 B18R2.16190 Cc1nc(nc2c1nc[nH]2)SCCCCCO 62a_100000746330_100000093496 [0,0,0,0,0,0|2,0,2]=4 45 B18R2.16190 FCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000729378_100010207356 [0,0,0,0,0,0|2,0,2]=4 46 B18R2.16190 N#CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011219923_100020644719 [0,0,0,0,0,0|1,0,3]=4 47 B18R2.16190 Nc1nc(nc2c1scc2)SCCCCCF 62a_100012002325_100000729378 [0,0,0,0,0,0|4,0,0]=4 48 B18R2.16190 Nc1nc(nc2c1scc2)SCCCCCO 62a_100012002325_100000746330 [0,0,0,0,0,0|4,0,0]=4 49 B18R2.16190 O=CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000139335_100020644719 [0,0,0,0,0,0|1,0,3]=4 50 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)NCCCCCO 27a_100000762737_100020644719 [0,0,0,0,0,0|2,0,2]=4 51 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCF 62a_100000729378_100020644719 [0,0,0,0,0,0|1,0,2]=3 52 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCO 62a_100000746330_100020644719 [0,0,0,0,0,0|1,0,2]=3 53 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCOCCO 62a_100011215305_100020644719 [0,0,0,0,0,0|2,0,2]=4 54 B18R2.16190 OCCCCCNc1nc(c2sccc2n1)O 27a_100000762737_100012177178 [0,0,0,0,0,0|4,0,0]=4 55 B18R2.16190 OCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000746330_100010207356 [0,0,0,0,0,0|2,0,2]=4 56 B17R2.8766 C#CCCCCSc1cc2nc[nH]c2cn1 62a_100010269958_100000070173 [1,0,0,0,0,0|1,0,2]=4 57 B17R2.8766 C#CCCCCSc1ncc2[nH]ccc2n1 62a_100010269958_100009831719 [1,0,0,0,0,0|1,0,2]=4 58 B17R2.8766 C=CCCCCSc1cc2nc[nH]c2cn1 62a_100011215482_100000070173 [1,0,0,0,0,0|1,0,2]=4 59 B17R2.8766 C=CCCCCSc1ncc2[nH]ccc2n1 62a_100011215482_100009831719 [1,0,0,0,0,0|1,0,2]=4 60 B17R2.8766 CC/C=C\CCSc1cc2nc[nH]c2cn1 62a_100015370543_100000070173 [1,0,0,0,0,0|1,0,2]=4 61 B17R2.8766 CC/C=C\CCSc1ncc2[nH]ccc2n1 62a_100015370543_100009831719 [1,0,0,0,0,0|1,0,2]=4 62 B17R2.8766 CCCCCC=Cc1cc2nc[nH]c2cn1 271570a_100000062253_100000070173 [1,0,0,0,0,0|2,0,1]=4 63 B17R2.8766 CCCCCCNc1ccc2[nH]nnc2n1 27a_100000210581_100000056387 [1,0,0,0,0,0|3,0,0]=4 64 B17R2.8766 CCCCCCNc1ncc2[nH]ccc2n1 27a_100000210581_100009831719 [1,0,0,0,0,0|2,0,0]=3 65 B17R2.8766 CCCCCCNc1ncc2[nH]ncc2n1 27a_100000210581_100009843425 [1,0,0,0,0,0|3,0,0]=4 66 B17R2.8766 CCCCCCNc1ncc2cc[nH]c2n1 27a_100000210581_100000059789 [1,0,0,0,0,0|2,0,1]=4 67 B17R2.8766 CCCCCCNc1ncc2ccsc2n1 27a_100000210581_100009840870 [1,0,0,0,0,0|3,0,0]=4 68 B17R2.8766 CCCCCCNc1ncc2nc[nH]c2n1 27a_100000210581_100000009038 [1,0,0,0,0,0|1,0,2]=4 69 B17R2.8766 CCCCCCNc1ncc2sccc2n1 27a_100000210581_100000117912 [1,0,0,0,0,0|3,0,0]=4 70 B17R2.8766 CCCCCCSc1cc2[nH]ccc2cn1 62a_100000210314_100000089685 [1,0,0,0,0,0|2,0,1]=4 71 B17R2.8766 CCCCCCSc1cc2c(cn1)NCC2 62a_100000210314_100009884275 [1,0,0,0,0,0|2,0,1]=4 72 B17R2.8766 CCCCCCSc1cc2c(cn1)NCC2 62a_100009884275_100000210757 [1,0,0,0,0,0|2,0,1]=4 73 B17R2.8766 CCCCCCSc1cc2cc[nH]c2cn1 62a_100000210314_100009864809 [1,0,0,0,0,0|2,0,0]=3 74 B17R2.8766 CCCCCCSc1cc2cc[nH]c2nn1 62a_100000210314_100009855299 [1,0,0,0,0,0|3,0,0]=4 75 B17R2.8766 CCCCCCSc1cc2cn[nH]c2cn1 62a_100000210314_100000082130 [1,0,0,0,0,0|3,0,0]=4 76 B17R2.8766 CCCCCCSc1cc2cn[nH]c2cn1 62a_100009820118_100000210757 [1,0,0,0,0,0|3,0,0]=4 77 B17R2.8766 CCCCCCSc1cc2nc[nH]c2cn1 62a_100000210314_100000070173 [1,0,0,0,0,0|1,0,0]=2 78 B17R2.8766 CCCCCCSc1cc2nccn2cn1 62a_100000210314_100000052551 [1,0,0,0,0,0|3,0,0]=4 79 B17R2.8766 CCCCCCSc1cc2ncnn2cn1 62a_100000101099_100000210757 [1,0,0,0,0,0|2,0,1]=4 80 B17R2.8766 CCCCCCSc1cc2ncnn2cn1 62a_100000210314_100000101099 [1,0,0,0,0,0|2,0,1]=4 81 B17R2.8766 CCCCCCSc1cc2sccc2cn1 62a_100000210314_200016184645 [1,0,0,0,0,0|3,0,0]=4 82 B17R2.8766 CCCCCCSc1ccc2[nH]ccc2c1 62a_100000210314_100000035808 [1,0,0,0,0,0|3,0,0]=4 83 B17R2.8766 CCCCCCSc1ccc2[nH]ccc2n1 62a_100000210314_100000087148 [1,0,0,0,0,0|2,0,0]=3 84 B17R2.8766 CCCCCCSc1ccc2[nH]cnc2c1 62a_100000210314_100011265325 [1,0,0,0,0,0|2,0,0]=3 85 B17R2.8766 CCCCCCSc1ccc2[nH]ncc2n1 62a_100000210314_100000082131 [1,0,0,0,0,0|3,0,0]=4 86 B17R2.8766 CCCCCCSc1ccc2[nH]nnc2n1 62a_100000210314_100000056387 [1,0,0,0,0,0|2,0,0]=3 87 B17R2.8766 CCCCCCSc1ccc2c(n1)CCN2 62a_100000210314_100009872833 [1,0,0,0,0,0|2,0,1]=4 88 B17R2.8766 CCCCCCSc1ccc2c(n1)CCN2 62a_100009872833_100000210757 [1,0,0,0,0,0|2,0,1]=4 89 B17R2.8766 CCCCCCSc1ccc2cc[nH]c2n1 62a_100000210314_100009814870 [1,0,0,0,0,0|2,0,1]=4 90 B17R2.8766 CCCCCCSc1ccc2nc[nH]c2n1 62a_100000210314_100000077665 [1,0,0,0,0,0|1,0,2]=4 91 B17R2.8766 CCCCCCSc1ccc2nc[nH]c2n1 62a_100009820032_100000210757 [1,0,0,0,0,0|1,0,2]=4 92 B17R2.8766 CCCCCCSc1ccc2ncsc2n1 62a_100000210314_100010381354 [1,0,0,0,0,0|2,0,1]=4 93 B17R2.8766 CCCCCCSc1ccc2ncsc2n1 62a_100010090457_100000210757 [1,0,0,0,0,0|2,0,1]=4 94 B17R2.8766 CCCCCCSc1ccc2occc2n1 62a_100000210314_100009851292 [1,0,0,0,0,0|3,0,0]=4 95 B17R2.8766 CCCCCCSc1ccc2ocnc2c1 62a_100000210314_100009816175 [1,0,0,0,0,0|3,0,0]=4 96 B17R2.8766 CCCCCCSc1ccc2sccc2n1 62a_100000210314_100012000956 [1,0,0,0,0,0|3,0,0]=4 97 B17R2.8766 CCCCCCSc1ccc2scnc2c1 62a_100000210314_100010005895 [1,0,0,0,0,0|3,0,0]=4 98 B17R2.8766 CCCCCCSc1ccn2ncnc2n1 62a_100000054300_100000210757 [1,0,0,0,0,0|2,0,1]=4 99 B17R2.8766 CCCCCCSc1ccn2ncnc2n1 62a_100000210314_100000054300 [1,0,0,0,0,0|2,0,1]=4 100 B17R2.8766 CCCCCCSc1cn2ncnc2cn1 62a_100000210314_100009847490 [1,0,0,0,0,0|2,0,1]=4 101 B17R2.8766 CCCCCCSc1cn2ncnc2cn1 62a_100009847490_100000210757 [1,0,0,0,0,0|2,0,1]=4 102 B17R2.8766 CCCCCCSc1cnc2[nH]ccc2n1 62a_100000210314_100009819590 [1,0,0,0,0,0|3,0,0]=4 103 B17R2.8766 CCCCCCSc1ncc2[nH]ccc2n1 62a_100000210314_100009831719 [1,0,0,0,0,0|1,0,0]=2 104 B17R2.8766 CCCCCCSc1ncc2[nH]ncc2n1 62a_100000210314_100009843425 [1,0,0,0,0,0|2,0,0]=3 105 B17R2.8766 CCCCCCSc1ncc2c(n1)CCC2 62a_100000210314_100009881048 [1,0,0,0,0,0|2,0,1]=4 106 B17R2.8766 CCCCCCSc1ncc2c(n1)CCC2 62a_100009881048_100000210757 [1,0,0,0,0,0|2,0,1]=4 107 B17R2.8766 CCCCCCSc1ncc2cc[nH]c2n1 62a_100000210314_100000059789 [1,0,0,0,0,0|1,0,1]=3 108 B17R2.8766 CCCCCCSc1ncc2ccsc2n1 62a_100000210314_100009840870 [1,0,0,0,0,0|2,0,0]=3 109 B17R2.8766 CCCCCCSc1ncc2cn[nH]c2n1 62a_100000210314_100000063646 [1,0,0,0,0,0|2,0,1]=4 110 B17R2.8766 CCCCCCSc1ncc2nc[nH]c2n1 62a_100000210314_100000009038 [1,0,0,0,0,0|0,0,2]=3 111 B17R2.8766 CCCCCCSc1ncc2sccc2n1 62a_100000210314_100000117912 [1,0,0,0,0,0|2,0,0]=3 112 B17R2.8766 CCCCOCSc1cc2cc[nH]c2cn1 62a_100011995733_100009864809 [1,0,0,0,0,0|3,0,0]=4 113 B17R2.8766 CCCCOCSc1cc2nc[nH]c2cn1 62a_100011995733_100000070173 [1,0,0,0,0,0|2,0,0]=3 114 B17R2.8766 CCCCOCSc1ccc2[nH]ccc2n1 62a_100011995733_100000087148 [1,0,0,0,0,0|3,0,0]=4 115 B17R2.8766 CCCCOCSc1ccc2[nH]cnc2c1 62a_100011995733_100011265325 [1,0,0,0,0,0|3,0,0]=4 116 B17R2.8766 CCCCOCSc1ccc2[nH]nnc2n1 62a_100011995733_100000056387 [1,0,0,0,0,0|3,0,0]=4 117 B17R2.8766 CCCCOCSc1ncc2[nH]ccc2n1 62a_100011995733_100009831719 [1,0,0,0,0,0|2,0,0]=3 118 B17R2.8766 CCCCOCSc1ncc2[nH]ncc2n1 62a_100011995733_100009843425 [1,0,0,0,0,0|3,0,0]=4 119 B17R2.8766 CCCCOCSc1ncc2cc[nH]c2n1 62a_100011995733_100000059789 [1,0,0,0,0,0|2,0,1]=4 120 B17R2.8766 CCCCOCSc1ncc2ccsc2n1 62a_100011995733_100009840870 [1,0,0,0,0,0|3,0,0]=4 121 B17R2.8766 CCCCOCSc1ncc2nc[nH]c2n1 62a_100011995733_100000009038 [1,0,0,0,0,0|1,0,2]=4 122 B17R2.8766 CCCCOCSc1ncc2sccc2n1 62a_100011995733_100000117912 [1,0,0,0,0,0|3,0,0]=4 123 B17R2.8766 CCCOCCNc1ncc2[nH]ccc2n1 27a_100161115042_100009831719 [1,0,0,0,0,0|3,0,0]=4 124 B17R2.8766 CCCOCCSc1cc2cc[nH]c2cn1 62a_100011215938_100009864809 [1,0,0,0,0,0|3,0,0]=4 125 B17R2.8766 CCCOCCSc1cc2nc[nH]c2cn1 62a_100011215938_100000070173 [1,0,0,0,0,0|2,0,0]=3 126 B17R2.8766 CCCOCCSc1ccc2[nH]ccc2n1 62a_100011215938_100000087148 [1,0,0,0,0,0|3,0,0]=4 127 B17R2.8766 CCCOCCSc1ccc2[nH]cnc2c1 62a_100011215938_100011265325 [1,0,0,0,0,0|3,0,0]=4 128 B17R2.8766 CCCOCCSc1ccc2[nH]nnc2n1 62a_100011215938_100000056387 [1,0,0,0,0,0|3,0,0]=4 129 B17R2.8766 CCCOCCSc1ncc2[nH]ccc2n1 62a_100011215938_100009831719 [1,0,0,0,0,0|2,0,0]=3 130 B17R2.8766 CCCOCCSc1ncc2[nH]ncc2n1 62a_100011215938_100009843425 [1,0,0,0,0,0|3,0,0]=4 131 B17R2.8766 CCCOCCSc1ncc2cc[nH]c2n1 62a_100011215938_100000059789 [1,0,0,0,0,0|2,0,1]=4 132 B17R2.8766 CCCOCCSc1ncc2ccsc2n1 62a_100011215938_100009840870 [1,0,0,0,0,0|3,0,0]=4 133 B17R2.8766 CCCOCCSc1ncc2nc[nH]c2n1 62a_100011215938_100000009038 [1,0,0,0,0,0|1,0,2]=4 134 B17R2.8766 CCCOCCSc1ncc2sccc2n1 62a_100011215938_100000117912 [1,0,0,0,0,0|3,0,0]=4 135 B17R2.8766 CCCSCCNc1ncc2[nH]ccc2n1 27a_100020603323_100009831719 [1,0,0,0,0,0|3,0,0]=4 136 B17R2.8766 CCOCCCNc1ncc2[nH]ccc2n1 27a_100000210961_100009831719 [1,0,0,0,0,0|3,0,0]=4 137 B17R2.8766 CCOCCCSc1cc2cc[nH]c2cn1 62a_100012232248_100009864809 [1,0,0,0,0,0|3,0,0]=4 138 B17R2.8766 CCOCCCSc1cc2nc[nH]c2cn1 62a_100012232248_100000070173 [1,0,0,0,0,0|2,0,0]=3 139 B17R2.8766 CCOCCCSc1ccc2[nH]ccc2n1 62a_100012232248_100000087148 [1,0,0,0,0,0|3,0,0]=4 140 B17R2.8766 CCOCCCSc1ccc2[nH]cnc2c1 62a_100012232248_100011265325 [1,0,0,0,0,0|3,0,0]=4 141 B17R2.8766 CCOCCCSc1ccc2[nH]nnc2n1 62a_100012232248_100000056387 [1,0,0,0,0,0|3,0,0]=4 142 B17R2.8766 CCOCCCSc1ncc2[nH]ccc2n1 62a_100012232248_100009831719 [1,0,0,0,0,0|2,0,0]=3 143 B17R2.8766 CCOCCCSc1ncc2[nH]ncc2n1 62a_100012232248_100009843425 [1,0,0,0,0,0|3,0,0]=4 144 B17R2.8766 CCOCCCSc1ncc2cc[nH]c2n1 62a_100012232248_100000059789 [1,0,0,0,0,0|2,0,1]=4 145 B17R2.8766 CCOCCCSc1ncc2ccsc2n1 62a_100012232248_100009840870 [1,0,0,0,0,0|3,0,0]=4 146 B17R2.8766 CCOCCCSc1ncc2nc[nH]c2n1 62a_100012232248_100000009038 [1,0,0,0,0,0|1,0,2]=4 147 B17R2.8766 CCOCCCSc1ncc2sccc2n1 62a_100012232248_100000117912 [1,0,0,0,0,0|3,0,0]=4 148 B17R2.8766 COCCCCSc1cc2cc[nH]c2cn1 62a_100000730899_100009864809 [1,0,0,0,0,0|3,0,0]=4 149 B17R2.8766 COCCCCSc1cc2nc[nH]c2cn1 62a_100000730899_100000070173 [1,0,0,0,0,0|2,0,0]=3 150 B17R2.8766 COCCCCSc1ccc2[nH]ccc2n1 62a_100000730899_100000087148 [1,0,0,0,0,0|3,0,0]=4 151 B17R2.8766 COCCCCSc1ccc2[nH]cnc2c1 62a_100000730899_100011265325 [1,0,0,0,0,0|3,0,0]=4 152 B17R2.8766 COCCCCSc1ccc2[nH]nnc2n1 62a_100000730899_100000056387 [1,0,0,0,0,0|3,0,0]=4 153 B17R2.8766 COCCCCSc1ncc2[nH]ccc2n1 62a_100000730899_100009831719 [1,0,0,0,0,0|2,0,0]=3 154 B17R2.8766 COCCCCSc1ncc2[nH]ncc2n1 62a_100000730899_100009843425 [1,0,0,0,0,0|3,0,0]=4 155 B17R2.8766 COCCCCSc1ncc2cc[nH]c2n1 62a_100000730899_100000059789 [1,0,0,0,0,0|2,0,1]=4 156 B17R2.8766 COCCCCSc1ncc2ccsc2n1 62a_100000730899_100009840870 [1,0,0,0,0,0|3,0,0]=4 157 B17R2.8766 COCCCCSc1ncc2nc[nH]c2n1 62a_100000730899_100000009038 [1,0,0,0,0,0|1,0,2]=4 158 B17R2.8766 COCCCCSc1ncc2sccc2n1 62a_100000730899_100000117912 [1,0,0,0,0,0|3,0,0]=4 159 B17R2.8766 COCCOCSc1cc2nc[nH]c2cn1 62a_100000231047_100000070173 [1,0,0,0,0,0|3,0,0]=4 160 B17R2.8766 COCCOCSc1ncc2[nH]ccc2n1 62a_100000231047_100009831719 [1,0,0,0,0,0|3,0,0]=4 161 B17R2.8766 FCCCCCSc1cc2cc[nH]c2cn1 62a_100000729378_100009864809 [1,0,0,0,0,0|3,0,0]=4 162 B17R2.8766 FCCCCCSc1cc2nc[nH]c2cn1 62a_100000729378_100000070173 [1,0,0,0,0,0|2,0,0]=3 163 B17R2.8766 FCCCCCSc1ccc2[nH]ccc2n1 62a_100000729378_100000087148 [1,0,0,0,0,0|3,0,0]=4 164 B17R2.8766 FCCCCCSc1ccc2[nH]cnc2c1 62a_100000729378_100011265325 [1,0,0,0,0,0|3,0,0]=4 165 B17R2.8766 FCCCCCSc1ccc2[nH]nnc2n1 62a_100000729378_100000056387 [1,0,0,0,0,0|3,0,0]=4 166 B17R2.8766 FCCCCCSc1ncc2[nH]ccc2n1 62a_100000729378_100009831719 [1,0,0,0,0,0|2,0,0]=3 167 B17R2.8766 FCCCCCSc1ncc2[nH]ncc2n1 62a_100000729378_100009843425 [1,0,0,0,0,0|3,0,0]=4 168 B17R2.8766 FCCCCCSc1ncc2cc[nH]c2n1 62a_100000729378_100000059789 [1,0,0,0,0,0|2,0,1]=4 169 B17R2.8766 FCCCCCSc1ncc2ccsc2n1 62a_100000729378_100009840870 [1,0,0,0,0,0|3,0,0]=4 170 B17R2.8766 FCCCCCSc1ncc2nc[nH]c2n1 62a_100000729378_100000009038 [1,0,0,0,0,0|1,0,2]=4 171 B17R2.8766 FCCCCCSc1ncc2sccc2n1 62a_100000729378_100000117912 [1,0,0,0,0,0|3,0,0]=4 172 B17R2.8766 N#CCCCCSc1cc2nc[nH]c2cn1 62a_100011219923_100000070173 [1,0,0,0,0,0|2,0,1]=4 173 B17R2.8766 N#CCCCCSc1ncc2[nH]ccc2n1 62a_100011219923_100009831719 [1,0,0,0,0,0|2,0,1]=4 174 B17R2.8766 O=CCCCCSc1cc2nc[nH]c2cn1 62a_100000139335_100000070173 [1,0,0,0,0,0|2,0,1]=4 175 B17R2.8766 O=CCCCCSc1ncc2[nH]ccc2n1 62a_100000139335_100009831719 [1,0,0,0,0,0|2,0,1]=4 176 B17R2.8766 OCCCCCNc1ncc2[nH]ccc2n1 27a_100000762737_100009831719 [1,0,0,0,0,0|3,0,0]=4 177 B17R2.8766 OCCCCCSc1cc2cc[nH]c2cn1 62a_100000746330_100009864809 [1,0,0,0,0,0|3,0,0]=4 178 B17R2.8766 OCCCCCSc1cc2nc[nH]c2cn1 62a_100000746330_100000070173 [1,0,0,0,0,0|2,0,0]=3 179 B17R2.8766 OCCCCCSc1ccc2[nH]ccc2n1 62a_100000746330_100000087148 [1,0,0,0,0,0|3,0,0]=4 180 B17R2.8766 OCCCCCSc1ccc2[nH]cnc2c1 62a_100000746330_100011265325 [1,0,0,0,0,0|3,0,0]=4 181 B17R2.8766 OCCCCCSc1ccc2[nH]nnc2n1 62a_100000746330_100000056387 [1,0,0,0,0,0|3,0,0]=4 182 B17R2.8766 OCCCCCSc1ncc2[nH]ccc2n1 62a_100000746330_100009831719 [1,0,0,0,0,0|2,0,0]=3 183 B17R2.8766 OCCCCCSc1ncc2[nH]ncc2n1 62a_100000746330_100009843425 [1,0,0,0,0,0|3,0,0]=4 184 B17R2.8766 OCCCCCSc1ncc2cc[nH]c2n1 62a_100000746330_100000059789 [1,0,0,0,0,0|2,0,1]=4 185 B17R2.8766 OCCCCCSc1ncc2ccsc2n1 62a_100000746330_100009840870 [1,0,0,0,0,0|3,0,0]=4 186 B17R2.8766 OCCCCCSc1ncc2nc[nH]c2n1 62a_100000746330_100000009038 [1,0,0,0,0,0|1,0,2]=4 187 B17R2.8766 OCCCCCSc1ncc2sccc2n1 62a_100000746330_100000117912 [1,0,0,0,0,0|3,0,0]=4 188 B17R2.8766 OCCOCCSc1cc2nc[nH]c2cn1 62a_100011215305_100000070173 [1,0,0,0,0,0|3,0,0]=4 189 B17R2.8766 OCCOCCSc1ncc2[nH]ccc2n1 62a_100011215305_100009831719 [1,0,0,0,0,0|3,0,0]=4 190 B17R2.19066 CCCCCNc1nc(c2sccc2n1)O 27a_100000209983_100012177178 [1,0,0,0,0,0|3,0,0]=4 191 B17R2.19066 CCCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000209983_100020644719 [1,0,0,0,0,0|1,0,2]=4 192 B17R2.19066 CCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210326_100000093496 [1,0,0,0,0,0|1,0,2]=4 193 B17R2.19066 CCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210326 [1,0,0,0,0,0|3,0,0]=4 194 B17R2.19066 CCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210326_100010207356 [1,0,0,0,0,0|1,0,2]=4 195 B17R2.19066 CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210326_100020644719 [1,0,0,0,0,0|0,0,2]=3 196 B17R2.19066 CCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210147_100020644719 [1,0,0,0,0,0|1,0,2]=4 197 B17R2.19066 CCSCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000757381_100020644719 [1,0,0,0,0,0|1,0,2]=4 198 B17R2.19066 COCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000709357_100020644719 [1,0,0,0,0,0|1,0,2]=4 199 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)SCCCCF 62a_100000729493_100020644719 [1,0,0,0,0,0|1,0,2]=4 200 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)SCCCCO 62a_100000210776_100020644719 [1,0,0,0,0,0|1,0,2]=4 201 B19R2.14788 CCCCCC(C)Nc1nc(c2sccc2n1)O 27a_100000211957_100012177178 [0,1,0,0,0,0|3,0,0]=4 202 B19R2.14788 CCCCCC(C)Nc1nc2nc[nH]c2c(=O)[nH]1 27a_100000211957_100020644719 [0,1,0,0,0,0|1,0,2]=4 203 B19R2.14788 CCCCCC(C)Sc1nc(c2nc[nH]c2n1)C 62a_200011218191_100000093496 [0,1,0,0,0,0|1,0,2]=4 204 B19R2.14788 CCCCCC(C)Sc1nc(c2sccc2n1)N 62a_100012002325_200011218191 [0,1,0,0,0,0|3,0,0]=4 205 B19R2.14788 CCCCCC(C)Sc1nc-2ncnc2c([nH]1)Cl 62a_200011218191_100010207356 [0,1,0,0,0,0|1,0,2]=4 206 B19R2.14788 CCCCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200011218191_100020644719 [0,1,0,0,0,0|0,0,2]=3 207 B19R2.98182 CC(=O)CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000735457_100020644719 [0,1,0,0,0,0|0,0,3]=4 208 B19R2.98182 CC(C)CCCCSc1nc(c2sccc2n1)N 62a_100012002325_100011216152 [0,1,0,0,0,0|3,0,0]=4 209 B19R2.98182 CC(C)CCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100011216152_100010207356 [0,1,0,0,0,0|1,0,2]=4 210 B19R2.98182 CC(C)CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011216152_100020644719 [0,1,0,0,0,0|0,0,2]=3 211 B19R2.98182 Cc1nc(nc2c1nc[nH]2)SCCCCC(C)C 62a_100011216152_100000093496 [0,1,0,0,0,0|1,0,2]=4 212 B19R2.116131 C#CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012094781_100020644719 [0,1,0,0,0,0|0,0,3]=4 213 B19R2.116131 C=CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000700193_100020644719 [0,1,0,0,0,0|0,0,3]=4 214 B19R2.116131 CCCCCCC=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_200015348155_100009812310 [0,1,0,0,0,0|1,0,2]=4 215 B19R2.116131 CCCCCCCNc1nc(c2sccc2n1)O 27a_100000229938_100012177178 [0,1,0,0,0,0|3,0,0]=4 216 B19R2.116131 CCCCCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000229938_100020644719 [0,1,0,0,0,0|1,0,2]=4 217 B19R2.116131 CCCCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210614_100000093496 [0,1,0,0,0,0|1,0,2]=4 218 B19R2.116131 CCCCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210316 [0,1,0,0,0,0|3,0,0]=4 219 B19R2.116131 CCCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210614_100010207356 [0,1,0,0,0,0|1,0,2]=4 220 B19R2.116131 CCCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210614_100020644719 [0,1,0,0,0,0|0,0,2]=3 221 B19R2.116131 CCCCCCSCc1nc(c2ccsc2n1)Cl 62a_100000210314_100011619474 [0,1,0,0,0,0|3,0,0]=4 222 B19R2.116131 CCCCCCSCc1nc(c2ccsc2n1)Cl 62a_100011619474_100000210757 [0,1,0,0,0,0|3,0,0]=4 223 B19R2.116131 CCCCOCCSc1nc(c2nc[nH]c2n1)C 62a_100000743108_100000093496 [0,1,0,0,0,0|1,0,2]=4 224 B19R2.116131 CCCCOCCSc1nc(c2sccc2n1)N 62a_100012002325_100000743108 [0,1,0,0,0,0|3,0,0]=4 225 B19R2.116131 CCCCOCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000743108_100010207356 [0,1,0,0,0,0|1,0,2]=4 226 B19R2.116131 CCCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000743108_100020644719 [0,1,0,0,0,0|0,0,2]=3 227 B19R2.116131 CCCCSCCNc1nc(c2sccc2n1)O 27a_100025743550_100012177178 [0,1,0,0,0,0|3,0,0]=4 228 B19R2.116131 CCCCSCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100025743550_100020644719 [0,1,0,0,0,0|1,0,2]=4 229 B19R2.116131 CCCOCCCNc1nc(c2sccc2n1)O 27a_100011217757_100012177178 [0,1,0,0,0,0|3,0,0]=4 230 B19R2.116131 CCCOCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100011217757_100020644719 [0,1,0,0,0,0|1,0,2]=4 231 B19R2.116131 COCCCCCNc1nc(c2sccc2n1)O 27a_100000747528_100012177178 [0,1,0,0,0,0|3,0,0]=4 232 B19R2.116131 COCCCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000747528_100020644719 [0,1,0,0,0,0|1,0,2]=4 233 B19R2.116131 COCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000695917_100020644719 [0,1,0,0,0,0|1,0,2]=4 234 B19R2.116131 Cc1nc(nc2c1nc[nH]2)SCCCCCCF 62a_100015922095_100000093496 [0,1,0,0,0,0|1,0,2]=4 235 B19R2.116131 Cc1nc(nc2c1nc[nH]2)SCCCCCCO 62a_100000766143_100000093496 [0,1,0,0,0,0|1,0,2]=4 236 B19R2.116131 FCCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100015922095_100010207356 [0,1,0,0,0,0|1,0,2]=4 237 B19R2.116131 N#CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009813376_100020644719 [0,1,0,0,0,0|0,0,3]=4 238 B19R2.116131 Nc1nc(nc2c1scc2)SCCCCCCF 62a_100012002325_100015922095 [0,1,0,0,0,0|3,0,0]=4 239 B19R2.116131 Nc1nc(nc2c1scc2)SCCCCCCO 62a_100012002325_100000766143 [0,1,0,0,0,0|3,0,0]=4 240 B19R2.116131 O=CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000139337_100020644719 [0,1,0,0,0,0|0,0,3]=4 241 B19R2.116131 O=c1[nH]c(nc2c1[nH]cn2)NCCCCCCO 27a_100000686447_100020644719 [0,1,0,0,0,0|1,0,2]=4 242 B19R2.116131 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCCF 62a_100015922095_100020644719 [0,1,0,0,0,0|0,0,2]=3 243 B19R2.116131 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCCO 62a_100000766143_100020644719 [0,1,0,0,0,0|0,0,2]=3 244 B19R2.116131 OCCCCCCNc1nc(c2sccc2n1)O 27a_100000686447_100012177178 [0,1,0,0,0,0|3,0,0]=4 245 B19R2.116131 OCCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000766143_100010207356 [0,1,0,0,0,0|1,0,2]=4 246 B19R2.161511 C#CCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100010269958_200010292222 [0,1,0,0,0,0|1,0,2]=4 247 B19R2.161511 C#CCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100010269958_100102591833 [0,1,0,0,0,0|1,0,2]=4 248 B19R2.161511 C=CCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100011215482_200010292222 [0,1,0,0,0,0|1,0,2]=4 249 B19R2.161511 C=CCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100011215482_100102591833 [0,1,0,0,0,0|1,0,2]=4 250 B19R2.161511 CC/C=C\CCSc1nc(c2[nH]ccc2n1)OC 62a_100015370543_200010292222 [0,1,0,0,0,0|1,0,2]=4 251 B19R2.161511 CC/C=C\CCSc1nc(c2[nH]cnc2n1)NC 62a_100015370543_100102591833 [0,1,0,0,0,0|1,0,2]=4 252 B19R2.161511 CCCCCCNc1nc(c2sccc2n1)OC 27a_100000210581_200014799438 [0,1,0,0,0,0|3,0,0]=4 253 B19R2.161511 CCCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210314_200010292222 [0,1,0,0,0,0|1,0,0]=2 254 B19R2.161511 CCCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210314_100102591833 [0,1,0,0,0,0|1,0,0]=2 255 B19R2.161511 CCCCCCSc1nc(c2cc[nH]c2n1)SC 62a_100000210314_200009951619 [0,1,0,0,0,0|1,1,1]=4 256 B19R2.161511 CCCCCCSc1nc(c2cn[nH]c2n1)OC 62a_100000210314_200013070299 [0,1,0,0,0,0|2,0,1]=4 257 B19R2.161511 CCCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210314_200012279070 [0,1,0,0,0,0|0,0,2]=3 258 B19R2.161511 CCCCCCSc1nc(c2sccc2n1)OC 62a_100000210314_200014799438 [0,1,0,0,0,0|2,0,0]=3 259 B19R2.161511 CCCCOCSc1nc(c2[nH]ccc2n1)OC 62a_100011995733_200010292222 [0,1,0,0,0,0|2,0,0]=3 260 B19R2.161511 CCCCOCSc1nc(c2[nH]cnc2n1)NC 62a_100011995733_100102591833 [0,1,0,0,0,0|2,0,0]=3 261 B19R2.161511 CCCCOCSc1nc(c2nc[nH]c2n1)OC 62a_100011995733_200012279070 [0,1,0,0,0,0|1,0,2]=4 262 B19R2.161511 CCCCOCSc1nc(c2sccc2n1)OC 62a_100011995733_200014799438 [0,1,0,0,0,0|3,0,0]=4 263 B19R2.161511 CCCOCCSc1nc(c2[nH]ccc2n1)OC 62a_100011215938_200010292222 [0,1,0,0,0,0|2,0,0]=3 264 B19R2.161511 CCCOCCSc1nc(c2[nH]cnc2n1)NC 62a_100011215938_100102591833 [0,1,0,0,0,0|2,0,0]=3 265 B19R2.161511 CCCOCCSc1nc(c2nc[nH]c2n1)OC 62a_100011215938_200012279070 [0,1,0,0,0,0|1,0,2]=4 266 B19R2.161511 CCCOCCSc1nc(c2sccc2n1)OC 62a_100011215938_200014799438 [0,1,0,0,0,0|3,0,0]=4 267 B19R2.161511 CCOCCCSc1nc(c2[nH]ccc2n1)OC 62a_100012232248_200010292222 [0,1,0,0,0,0|2,0,0]=3 268 B19R2.161511 CCOCCCSc1nc(c2[nH]cnc2n1)NC 62a_100012232248_100102591833 [0,1,0,0,0,0|2,0,0]=3 269 B19R2.161511 CCOCCCSc1nc(c2nc[nH]c2n1)OC 62a_100012232248_200012279070 [0,1,0,0,0,0|1,0,2]=4 270 B19R2.161511 CCOCCCSc1nc(c2sccc2n1)OC 62a_100012232248_200014799438 [0,1,0,0,0,0|3,0,0]=4 271 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCC#N 62a_100011219923_100102591833 [0,1,0,0,0,0|2,0,1]=4 272 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCC=O 62a_100000139335_100102591833 [0,1,0,0,0,0|2,0,1]=4 273 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCCF 62a_100000729378_100102591833 [0,1,0,0,0,0|2,0,0]=3 274 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCCO 62a_100000746330_100102591833 [0,1,0,0,0,0|2,0,0]=3 275 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCOC 62a_100000730899_100102591833 [0,1,0,0,0,0|2,0,0]=3 276 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCOCCO 62a_100011215305_100102591833 [0,1,0,0,0,0|3,0,0]=4 277 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCOCCOC 62a_100000231047_100102591833 [0,1,0,0,0,0|3,0,0]=4 278 B19R2.161511 COCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000730899_200010292222 [0,1,0,0,0,0|2,0,0]=3 279 B19R2.161511 COCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000730899_200012279070 [0,1,0,0,0,0|1,0,2]=4 280 B19R2.161511 COCCCCSc1nc(c2sccc2n1)OC 62a_100000730899_200014799438 [0,1,0,0,0,0|3,0,0]=4 281 B19R2.161511 COCCOCSc1nc(c2[nH]ccc2n1)OC 62a_100000231047_200010292222 [0,1,0,0,0,0|3,0,0]=4 282 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCC#N 62a_100011219923_200010292222 [0,1,0,0,0,0|2,0,1]=4 283 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCC=O 62a_100000139335_200010292222 [0,1,0,0,0,0|2,0,1]=4 284 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCCF 62a_100000729378_200010292222 [0,1,0,0,0,0|2,0,0]=3 285 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCCO 62a_100000746330_200010292222 [0,1,0,0,0,0|2,0,0]=3 286 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCOCCO 62a_100011215305_200010292222 [0,1,0,0,0,0|3,0,0]=4 287 B19R2.161511 COc1nc(nc2c1nc[nH]2)SCCCCCF 62a_100000729378_200012279070 [0,1,0,0,0,0|1,0,2]=4 288 B19R2.161511 COc1nc(nc2c1nc[nH]2)SCCCCCO 62a_100000746330_200012279070 [0,1,0,0,0,0|1,0,2]=4 289 B19R2.161511 COc1nc(nc2c1scc2)SCCCCCF 62a_100000729378_200014799438 [0,1,0,0,0,0|3,0,0]=4 290 B19R2.161511 COc1nc(nc2c1scc2)SCCCCCO 62a_100000746330_200014799438 [0,1,0,0,0,0|3,0,0]=4 291 B19R2.260833 CCCCCCN(C)c1nc(c2sccc2n1)O 27a_106256046315_100012177178 [0,1,0,0,0,0|3,0,0]=4 292 B19R2.260833 CCCCCCN(C)c1nc2nc[nH]c2c(=O)[nH]1 27a_106256046315_100020644719 [0,1,0,0,0,0|1,0,2]=4 293 B19R2.1369006 CCCCCCSc1nc2cc[nH]c2c(=O)n1C 62a_100000210314_100150720343 [0,1,0,0,0,0|1,0,2]=4 294 B19R2.2749680 C#CCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000706060_100000005714 [0,1,0,0,0,0|1,0,2]=4 295 B19R2.2749680 C#CCCCCSc1nc(c2c(n1)ncn2C)O 62a_100010269958_100000005714 [0,1,0,0,0,0|0,0,2]=3 296 B19R2.2749680 C#CCOCCSc1nc(c2c(n1)ncn2C)O 62a_100010402529_100000005714 [0,1,0,0,0,0|1,0,2]=4 297 B19R2.2749680 C=CCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000703577_100000005714 [0,1,0,0,0,0|1,0,2]=4 298 B19R2.2749680 C=CCCCCSc1nc(c2c(n1)ncn2C)O 62a_100011215482_100000005714 [0,1,0,0,0,0|0,0,2]=3 299 B19R2.2749680 CC/C=C\CCSc1nc(c2c(n1)ncn2C)O 62a_100015370543_100000005714 [0,1,0,0,0,0|0,0,2]=3 300 B19R2.2749680 CCCCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100000062253_100000005714 [0,1,0,0,0,0|1,0,1]=3 301 B19R2.2749680 CCCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000210581_100000005714 [0,1,0,0,0,0|1,0,0]=2 302 B19R2.2749680 CCCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210314_100000005714 [0,1,0,0,0,0|0,0,0]=1 303 B19R2.2749680 CCCCOCSc1nc(c2c(n1)ncn2C)O 62a_100011995733_100000005714 [0,1,0,0,0,0|1,0,0]=2 304 B19R2.2749680 CCCOCCNc1nc(c2c(n1)ncn2C)O 27a_100161115042_100000005714 [0,1,0,0,0,0|2,0,0]=3 305 B19R2.2749680 CCCOCCSc1nc(c2c(n1)ncn2C)O 62a_100011215938_100000005714 [0,1,0,0,0,0|1,0,0]=2 306 B19R2.2749680 CCCSCCNc1nc(c2c(n1)ncn2C)O 27a_100020603323_100000005714 [0,1,0,0,0,0|2,0,0]=3 307 B19R2.2749680 CCOCCCNc1nc(c2c(n1)ncn2C)O 27a_100000210961_100000005714 [0,1,0,0,0,0|2,0,0]=3 308 B19R2.2749680 CCOCCCSc1nc(c2c(n1)ncn2C)O 62a_100012232248_100000005714 [0,1,0,0,0,0|1,0,0]=2 309 B19R2.2749680 COCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000730899_100000005714 [0,1,0,0,0,0|1,0,0]=2 310 B19R2.2749680 COCCOCSc1nc(c2c(n1)ncn2C)O 62a_100000231047_100000005714 [0,1,0,0,0,0|2,0,0]=3 311 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCCCC#N)O 27a_100000751965_100000005714 [0,1,0,0,0,0|2,0,1]=4 312 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCCCCO)O 27a_100000762737_100000005714 [0,1,0,0,0,0|2,0,0]=3 313 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCOCCO)O 27a_100000211614_100000005714 [0,1,0,0,0,0|3,0,0]=4 314 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCSCCO)O 27a_100011219999_100000005714 [0,1,0,0,0,0|3,0,0]=4 315 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCC#N)O 62a_100011219923_100000005714 [0,1,0,0,0,0|1,0,1]=3 316 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCC=O)O 62a_100000139335_100000005714 [0,1,0,0,0,0|1,0,1]=3 317 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCCF)O 62a_100000729378_100000005714 [0,1,0,0,0,0|1,0,0]=2 318 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCCO)O 62a_100000746330_100000005714 [0,1,0,0,0,0|1,0,0]=2 319 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCOCC#N)O 62a_200000047693_100000005714 [0,1,0,0,0,0|2,0,1]=4 320 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCOCCO)O 62a_100011215305_100000005714 [0,1,0,0,0,0|2,0,0]=3 321 B19R3.3017 CCC1CCCN1c2nc(c3sccc3n2)O 27a_100000754278_100012177178 [0,0,0,1,0,0|3,0,0]=4 322 B19R3.3017 CCC1CCCN1c2nc3nc[nH]c3c(=O)[nH]2 27a_100000754278_100020644719 [0,0,0,1,0,0|1,0,2]=4 323 B19R3.4130 CC1CCCCN1c2nc(c3sccc3n2)O 27a_100000211376_100012177178 [0,0,0,1,0,0|3,0,0]=4 324 B19R3.4130 CC1CCCCN1c2nc3nc[nH]c3c(=O)[nH]2 27a_100000211376_100020644719 [0,0,0,1,0,0|1,0,2]=4 325 B19R3.5299 O=c1[nH]c(nc2c1[nH]cn2)S[C@@H]3CCC[C@H]3O 62a_200016002552_100020644719 [0,0,0,1,0,0|1,0,2]=4 326 B19R3.9172 Cc1nc(nc2c1nc[nH]2)SC3CCCCC3 62a_100000210327_100000093496 [0,0,0,1,0,0|1,0,2]=4 327 B19R3.9172 Clc1[nH]c(nc-2ncnc12)SC3CCCCC3 62a_100000210327_100010207356 [0,0,0,1,0,0|1,0,2]=4 328 B19R3.9172 Nc1nc(nc2c1scc2)SC3CCCCC3 62a_100012002325_100000210327 [0,0,0,1,0,0|3,0,0]=4 329 B19R3.9172 O=c1[nH]c(nc2c1[nH]cn2)NC3CCCCC3 27a_100000182618_100020644719 [0,0,0,1,0,0|1,0,2]=4 330 B19R3.9172 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCCC3 62a_100000210327_100020644719 [0,0,0,1,0,0|0,0,2]=3 331 B19R3.9172 Oc1nc(nc2c1scc2)NC3CCCCC3 27a_100000182618_100012177178 [0,0,0,1,0,0|3,0,0]=4 332 B19R3.171661 Cc1nc(nc2c1nc[nH]2)SCC3CCCC3 62a_100000740388_100000093496 [0,0,0,1,0,0|1,0,2]=4 333 B19R3.171661 Clc1[nH]c(nc-2ncnc12)SCC3CCCC3 62a_100000740388_100010207356 [0,0,0,1,0,0|1,0,2]=4 334 B19R3.171661 Nc1nc(nc2c1scc2)SCC3CCCC3 62a_100012002325_100000740388 [0,0,0,1,0,0|3,0,0]=4 335 B19R3.171661 O=c1[nH]c(nc2c1[nH]cn2)NCC3CCCC3 27a_100000737975_100020644719 [0,0,0,1,0,0|1,0,2]=4 336 B19R3.171661 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCCC3 62a_100000740388_100020644719 [0,0,0,1,0,0|0,0,2]=3 337 B19R3.171661 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCCO3 62a_100000203698_100020644719 [0,0,0,1,0,0|1,0,2]=4 338 B19R3.171661 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCOC3 62a_100000702531_100020644719 [0,0,0,1,0,0|1,0,2]=4 339 B19R3.171661 Oc1nc(nc2c1scc2)NCC3CCCC3 27a_100000737975_100012177178 [0,0,0,1,0,0|3,0,0]=4 340 B19R3.460680 O=c1[nH]c(nc2c1[nH]cn2)SCCCC3CO3 62a_100000733510_100020644719 [0,0,0,1,0,0|1,0,2]=4 341 B19R3.461683 O=c1[nH]c(nc2c1[nH]cn2)N3CCCCCC3 27a_100000185865_100020644719 [0,0,0,1,0,0|1,0,2]=4 342 B19R3.461683 Oc1nc(nc2c1scc2)N3CCCCCC3 27a_100000185865_100012177178 [0,0,0,1,0,0|3,0,0]=4 343 B19R2.161486 CCCCCCNc1nc(c2ccccc2n1)O 27a_100000210581_100000187174 [0,0,0,0,0,1|3,0,0]=4 344 B19R2.161486 CCCCCCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210757 [0,0,0,0,0,1|3,0,0]=4 345 B19R2.161486 CCCCCCSc1nc(c2ccccc2n1)C 62a_100000210314_100000046098 [0,0,0,0,0,1|3,0,0]=4 346 B19R2.161486 CCCCCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210757 [0,0,0,0,0,1|3,0,0]=4 347 B19R2.161486 CCCCCCSc1nc(c2ccccc2n1)O 62a_100000210314_100000187174 [0,0,0,0,0,1|2,0,0]=3 348 B19R2.161486 CCCCOCSc1nc(c2ccccc2n1)O 62a_100011995733_100000187174 [0,0,0,0,0,1|3,0,0]=4 349 B19R2.161486 CCCOCCSc1nc(c2ccccc2n1)O 62a_100011215938_100000187174 [0,0,0,0,0,1|3,0,0]=4 350 B19R2.161486 CCOCCCSc1nc(c2ccccc2n1)O 62a_100012232248_100000187174 [0,0,0,0,0,1|3,0,0]=4 351 B19R2.161486 COCCCCSc1nc(c2ccccc2n1)O 62a_100000730899_100000187174 [0,0,0,0,0,1|3,0,0]=4 352 B19R2.161486 OCCCCCSc1nc(c2ccccc2n1)O 62a_100000746330_100000187174 [0,0,0,0,0,1|3,0,0]=4 353 B19R2.161486 Oc1nc(nc2c1cccc2)SCCCCCF 62a_100000729378_100000187174 [0,0,0,0,0,1|3,0,0]=4 354 B16R1.17799 CCCCCCSc1ncc(c(n1)N)C=O 62a_100000210314_100010726233 [1,0,1,0,0,0|2,0,0]=4 355 B16R1.17799 CCCCCCSc1ncc(c(n1)N)C=O 62a_100010726233_100000210757 [1,0,1,0,0,0|2,0,0]=4 356 B16R1.1217 CCCCCCSc1nc(c(c(n1)N)N)C 62a_100000210314_100011218874 [1,0,1,0,0,0|1,0,1]=4 357 B16R1.1217 CCCCCCSc1nc(c(c(n1)N)N)C 62a_100011218874_100000210757 [1,0,1,0,0,0|1,0,1]=4 358 B16R1.17800 CCCCCCSc1ncc(c(n1)OC)N 62a_100000210314_100012122185 [1,0,1,0,0,0|1,0,1]=4 359 B16R1.17800 CCCCCCSc1ncc(c(n1)OC)N 62a_100012122185_100000210757 [1,0,1,0,0,0|1,0,1]=4 360 B16R2.3136 CCCCCNc1ncc2[nH]ccc2n1 27a_100000209983_100009831719 [2,0,0,0,0,0|2,0,0]=4 361 B16R2.3136 CCCCCSc1cc2cc[nH]c2cn1 62a_100000210326_100009864809 [2,0,0,0,0,0|2,0,0]=4 362 B16R2.3136 CCCCCSc1cc2nc[nH]c2cn1 62a_100000210326_100000070173 [2,0,0,0,0,0|1,0,0]=3 363 B16R2.3136 CCCCCSc1ccc2[nH]ccc2n1 62a_100000210326_100000087148 [2,0,0,0,0,0|2,0,0]=4 364 B16R2.3136 CCCCCSc1ccc2[nH]cnc2c1 62a_100000210326_100011265325 [2,0,0,0,0,0|2,0,0]=4 365 B16R2.3136 CCCCCSc1ccc2[nH]nnc2n1 62a_100000210326_100000056387 [2,0,0,0,0,0|2,0,0]=4 366 B16R2.3136 CCCCCSc1ncc2[nH]ccc2n1 62a_100000210326_100009831719 [2,0,0,0,0,0|1,0,0]=3 367 B16R2.3136 CCCCCSc1ncc2[nH]ncc2n1 62a_100000210326_100009843425 [2,0,0,0,0,0|2,0,0]=4 368 B16R2.3136 CCCCCSc1ncc2cc[nH]c2n1 62a_100000210326_100000059789 [2,0,0,0,0,0|1,0,1]=4 369 B16R2.3136 CCCCCSc1ncc2ccsc2n1 62a_100000210326_100009840870 [2,0,0,0,0,0|2,0,0]=4 370 B16R2.3136 CCCCCSc1ncc2nc[nH]c2n1 62a_100000210326_100000009038 [2,0,0,0,0,0|0,0,2]=4 371 B16R2.3136 CCCCCSc1ncc2sccc2n1 62a_100000210326_100000117912 [2,0,0,0,0,0|2,0,0]=4 372 B16R2.3136 CCOCCSc1cc2nc[nH]c2cn1 62a_100000210147_100000070173 [2,0,0,0,0,0|2,0,0]=4 373 B16R2.3136 CCOCCSc1ncc2[nH]ccc2n1 62a_100000210147_100009831719 [2,0,0,0,0,0|2,0,0]=4 374 B16R2.3136 CCSCCSc1cc2nc[nH]c2cn1 62a_100000757381_100000070173 [2,0,0,0,0,0|2,0,0]=4 375 B16R2.3136 CCSCCSc1ncc2[nH]ccc2n1 62a_100000757381_100009831719 [2,0,0,0,0,0|2,0,0]=4 376 B16R2.3136 COCCCSc1cc2nc[nH]c2cn1 62a_100000709357_100000070173 [2,0,0,0,0,0|2,0,0]=4 377 B16R2.3136 COCCCSc1ncc2[nH]ccc2n1 62a_100000709357_100009831719 [2,0,0,0,0,0|2,0,0]=4 378 B16R2.3136 FCCCCSc1cc2nc[nH]c2cn1 62a_100000729493_100000070173 [2,0,0,0,0,0|2,0,0]=4 379 B16R2.3136 FCCCCSc1ncc2[nH]ccc2n1 62a_100000729493_100009831719 [2,0,0,0,0,0|2,0,0]=4 380 B16R2.3136 OCCCCSc1cc2nc[nH]c2cn1 62a_100000210776_100000070173 [2,0,0,0,0,0|2,0,0]=4 381 B16R2.3136 OCCCCSc1ncc2[nH]ccc2n1 62a_100000210776_100009831719 [2,0,0,0,0,0|2,0,0]=4 382 B16R2.6365 CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210211_100020644719 [2,0,0,0,0,0|0,0,2]=4 383 B18R1.35387 CCCCCCSc1nc(c(c(n1)OC)N)OC 62a_100000095612_100000210757 [0,1,1,0,0,0|1,0,1]=4 384 B18R1.35387 CCCCCCSc1nc(c(c(n1)OC)N)OC 62a_100000210314_100000095612 [0,1,1,0,0,0|1,0,1]=4 385 B18R2.12354 CCCCCCSc1ccc2[nH]cnc2c1C 62a_100000210314_100010009745 [1,1,0,0,0,0|2,0,0]=4 386 B18R2.14788 CCCCCCN(C)c1ncc2[nH]ccc2n1 27a_106256046315_100009831719 [1,1,0,0,0,0|2,0,0]=4 387 B18R2.28835 C#CCCCCCSc1cc2nc[nH]c2cn1 62a_100012094781_100000070173 [1,1,0,0,0,0|1,0,1]=4 388 B18R2.28835 C#CCCCCCSc1ncc2[nH]ccc2n1 62a_100012094781_100009831719 [1,1,0,0,0,0|1,0,1]=4 389 B18R2.28835 C=CCCCCCSc1cc2nc[nH]c2cn1 62a_100000700193_100000070173 [1,1,0,0,0,0|1,0,1]=4 390 B18R2.28835 C=CCCCCCSc1ncc2[nH]ccc2n1 62a_100000700193_100009831719 [1,1,0,0,0,0|1,0,1]=4 391 B18R2.28835 CCCCCCC=Cc1cc2nc[nH]c2cn1 271570a_200015348155_100000070173 [1,1,0,0,0,0|2,0,0]=4 392 B18R2.28835 CCCCCCCNc1ncc2[nH]ccc2n1 27a_100000229938_100009831719 [1,1,0,0,0,0|2,0,0]=4 393 B18R2.28835 CCCCCCCSc1cc2cc[nH]c2cn1 62a_100000210614_100009864809 [1,1,0,0,0,0|2,0,0]=4 394 B18R2.28835 CCCCCCCSc1cc2nc[nH]c2cn1 62a_100000210614_100000070173 [1,1,0,0,0,0|1,0,0]=3 395 B18R2.28835 CCCCCCCSc1ccc2[nH]ccc2n1 62a_100000210614_100000087148 [1,1,0,0,0,0|2,0,0]=4 396 B18R2.28835 CCCCCCCSc1ccc2[nH]cnc2c1 62a_100000210614_100011265325 [1,1,0,0,0,0|2,0,0]=4 397 B18R2.28835 CCCCCCCSc1ccc2[nH]nnc2n1 62a_100000210614_100000056387 [1,1,0,0,0,0|2,0,0]=4 398 B18R2.28835 CCCCCCCSc1ncc2[nH]ccc2n1 62a_100000210614_100009831719 [1,1,0,0,0,0|1,0,0]=3 399 B18R2.28835 CCCCCCCSc1ncc2[nH]ncc2n1 62a_100000210614_100009843425 [1,1,0,0,0,0|2,0,0]=4 400 B18R2.28835 CCCCCCCSc1ncc2cc[nH]c2n1 62a_100000210614_100000059789 [1,1,0,0,0,0|1,0,1]=4 401 B18R2.28835 CCCCCCCSc1ncc2ccsc2n1 62a_100000210614_100009840870 [1,1,0,0,0,0|2,0,0]=4 402 B18R2.28835 CCCCCCCSc1ncc2nc[nH]c2n1 62a_100000210614_100000009038 [1,1,0,0,0,0|0,0,2]=4 403 B18R2.28835 CCCCCCCSc1ncc2sccc2n1 62a_100000210614_100000117912 [1,1,0,0,0,0|2,0,0]=4 404 B18R2.28835 CCCCOCCSc1cc2cc[nH]c2cn1 62a_100000743108_100009864809 [1,1,0,0,0,0|2,0,0]=4 405 B18R2.28835 CCCCOCCSc1cc2nc[nH]c2cn1 62a_100000743108_100000070173 [1,1,0,0,0,0|1,0,0]=3 406 B18R2.28835 CCCCOCCSc1ccc2[nH]ccc2n1 62a_100000743108_100000087148 [1,1,0,0,0,0|2,0,0]=4 407 B18R2.28835 CCCCOCCSc1ccc2[nH]cnc2c1 62a_100000743108_100011265325 [1,1,0,0,0,0|2,0,0]=4 408 B18R2.28835 CCCCOCCSc1ccc2[nH]nnc2n1 62a_100000743108_100000056387 [1,1,0,0,0,0|2,0,0]=4 409 B18R2.28835 CCCCOCCSc1ncc2[nH]ccc2n1 62a_100000743108_100009831719 [1,1,0,0,0,0|1,0,0]=3 410 B18R2.28835 CCCCOCCSc1ncc2[nH]ncc2n1 62a_100000743108_100009843425 [1,1,0,0,0,0|2,0,0]=4 411 B18R2.28835 CCCCOCCSc1ncc2cc[nH]c2n1 62a_100000743108_100000059789 [1,1,0,0,0,0|1,0,1]=4 412 B18R2.28835 CCCCOCCSc1ncc2ccsc2n1 62a_100000743108_100009840870 [1,1,0,0,0,0|2,0,0]=4 413 B18R2.28835 CCCCOCCSc1ncc2nc[nH]c2n1 62a_100000743108_100000009038 [1,1,0,0,0,0|0,0,2]=4 414 B18R2.28835 CCCCOCCSc1ncc2sccc2n1 62a_100000743108_100000117912 [1,1,0,0,0,0|2,0,0]=4 415 B18R2.28835 CCCCSCCNc1ncc2[nH]ccc2n1 27a_100025743550_100009831719 [1,1,0,0,0,0|2,0,0]=4 416 B18R2.28835 CCCOCCCNc1ncc2[nH]ccc2n1 27a_100011217757_100009831719 [1,1,0,0,0,0|2,0,0]=4 417 B18R2.28835 COCCCCCNc1ncc2[nH]ccc2n1 27a_100000747528_100009831719 [1,1,0,0,0,0|2,0,0]=4 418 B18R2.28835 COCCOCCSc1cc2nc[nH]c2cn1 62a_100000695917_100000070173 [1,1,0,0,0,0|2,0,0]=4 419 B18R2.28835 COCCOCCSc1ncc2[nH]ccc2n1 62a_100000695917_100009831719 [1,1,0,0,0,0|2,0,0]=4 420 B18R2.28835 FCCCCCCSc1cc2cc[nH]c2cn1 62a_100015922095_100009864809 [1,1,0,0,0,0|2,0,0]=4 421 B18R2.28835 FCCCCCCSc1cc2nc[nH]c2cn1 62a_100015922095_100000070173 [1,1,0,0,0,0|1,0,0]=3 422 B18R2.28835 FCCCCCCSc1ccc2[nH]ccc2n1 62a_100015922095_100000087148 [1,1,0,0,0,0|2,0,0]=4 423 B18R2.28835 FCCCCCCSc1ccc2[nH]cnc2c1 62a_100015922095_100011265325 [1,1,0,0,0,0|2,0,0]=4 424 B18R2.28835 FCCCCCCSc1ccc2[nH]nnc2n1 62a_100015922095_100000056387 [1,1,0,0,0,0|2,0,0]=4 425 B18R2.28835 FCCCCCCSc1ncc2[nH]ccc2n1 62a_100015922095_100009831719 [1,1,0,0,0,0|1,0,0]=3 426 B18R2.28835 FCCCCCCSc1ncc2[nH]ncc2n1 62a_100015922095_100009843425 [1,1,0,0,0,0|2,0,0]=4 427 B18R2.28835 FCCCCCCSc1ncc2cc[nH]c2n1 62a_100015922095_100000059789 [1,1,0,0,0,0|1,0,1]=4 428 B18R2.28835 FCCCCCCSc1ncc2ccsc2n1 62a_100015922095_100009840870 [1,1,0,0,0,0|2,0,0]=4 429 B18R2.28835 FCCCCCCSc1ncc2nc[nH]c2n1 62a_100015922095_100000009038 [1,1,0,0,0,0|0,0,2]=4 430 B18R2.28835 FCCCCCCSc1ncc2sccc2n1 62a_100015922095_100000117912 [1,1,0,0,0,0|2,0,0]=4 431 B18R2.28835 N#CCCCCCSc1cc2nc[nH]c2cn1 62a_100009813376_100000070173 [1,1,0,0,0,0|1,0,1]=4 432 B18R2.28835 N#CCCCCCSc1ncc2[nH]ccc2n1 62a_100009813376_100009831719 [1,1,0,0,0,0|1,0,1]=4 433 B18R2.28835 O=CCCCCCSc1cc2nc[nH]c2cn1 62a_100000139337_100000070173 [1,1,0,0,0,0|1,0,1]=4 434 B18R2.28835 O=CCCCCCSc1ncc2[nH]ccc2n1 62a_100000139337_100009831719 [1,1,0,0,0,0|1,0,1]=4 435 B18R2.28835 OCCCCCCNc1ncc2[nH]ccc2n1 27a_100000686447_100009831719 [1,1,0,0,0,0|2,0,0]=4 436 B18R2.28835 OCCCCCCSc1cc2cc[nH]c2cn1 62a_100000766143_100009864809 [1,1,0,0,0,0|2,0,0]=4 437 B18R2.28835 OCCCCCCSc1cc2nc[nH]c2cn1 62a_100000766143_100000070173 [1,1,0,0,0,0|1,0,0]=3 438 B18R2.28835 OCCCCCCSc1ccc2[nH]ccc2n1 62a_100000766143_100000087148 [1,1,0,0,0,0|2,0,0]=4 439 B18R2.28835 OCCCCCCSc1ccc2[nH]cnc2c1 62a_100000766143_100011265325 [1,1,0,0,0,0|2,0,0]=4 440 B18R2.28835 OCCCCCCSc1ccc2[nH]nnc2n1 62a_100000766143_100000056387 [1,1,0,0,0,0|2,0,0]=4 441 B18R2.28835 OCCCCCCSc1ncc2[nH]ccc2n1 62a_100000766143_100009831719 [1,1,0,0,0,0|1,0,0]=3 442 B18R2.28835 OCCCCCCSc1ncc2[nH]ncc2n1 62a_100000766143_100009843425 [1,1,0,0,0,0|2,0,0]=4 443 B18R2.28835 OCCCCCCSc1ncc2cc[nH]c2n1 62a_100000766143_100000059789 [1,1,0,0,0,0|1,0,1]=4 444 B18R2.28835 OCCCCCCSc1ncc2ccsc2n1 62a_100000766143_100009840870 [1,1,0,0,0,0|2,0,0]=4 445 B18R2.28835 OCCCCCCSc1ncc2nc[nH]c2n1 62a_100000766143_100000009038 [1,1,0,0,0,0|0,0,2]=4 446 B18R2.28835 OCCCCCCSc1ncc2sccc2n1 62a_100000766143_100000117912 [1,1,0,0,0,0|2,0,0]=4 447 B18R2.32480 CCCCCC(C)Nc1ncc2[nH]ccc2n1 27a_100000211957_100009831719 [1,1,0,0,0,0|2,0,0]=4 448 B18R2.32480 CCCCCC(C)Sc1cc2cc[nH]c2cn1 62a_200011218191_100009864809 [1,1,0,0,0,0|2,0,0]=4 449 B18R2.32480 CCCCCC(C)Sc1cc2nc[nH]c2cn1 62a_200011218191_100000070173 [1,1,0,0,0,0|1,0,0]=3 450 B18R2.32480 CCCCCC(C)Sc1ccc2[nH]ccc2n1 62a_200011218191_100000087148 [1,1,0,0,0,0|2,0,0]=4 451 B18R2.32480 CCCCCC(C)Sc1ccc2[nH]cnc2c1 62a_200011218191_100011265325 [1,1,0,0,0,0|2,0,0]=4 452 B18R2.32480 CCCCCC(C)Sc1ccc2[nH]nnc2n1 62a_200011218191_100000056387 [1,1,0,0,0,0|2,0,0]=4 453 B18R2.32480 CCCCCC(C)Sc1ncc2[nH]ccc2n1 62a_200011218191_100009831719 [1,1,0,0,0,0|1,0,0]=3 454 B18R2.32480 CCCCCC(C)Sc1ncc2[nH]ncc2n1 62a_200011218191_100009843425 [1,1,0,0,0,0|2,0,0]=4 455 B18R2.32480 CCCCCC(C)Sc1ncc2cc[nH]c2n1 62a_200011218191_100000059789 [1,1,0,0,0,0|1,0,1]=4 456 B18R2.32480 CCCCCC(C)Sc1ncc2ccsc2n1 62a_200011218191_100009840870 [1,1,0,0,0,0|2,0,0]=4 457 B18R2.32480 CCCCCC(C)Sc1ncc2nc[nH]c2n1 62a_200011218191_100000009038 [1,1,0,0,0,0|0,0,2]=4 458 B18R2.32480 CCCCCC(C)Sc1ncc2sccc2n1 62a_200011218191_100000117912 [1,1,0,0,0,0|2,0,0]=4 459 B18R2.71620 CC(=O)CCCCSc1cc2nc[nH]c2cn1 62a_100000735457_100000070173 [1,1,0,0,0,0|1,0,1]=4 460 B18R2.71620 CC(=O)CCCCSc1ncc2[nH]ccc2n1 62a_100000735457_100009831719 [1,1,0,0,0,0|1,0,1]=4 461 B18R2.71620 CC(C)CCCCSc1cc2cc[nH]c2cn1 62a_100011216152_100009864809 [1,1,0,0,0,0|2,0,0]=4 462 B18R2.71620 CC(C)CCCCSc1cc2nc[nH]c2cn1 62a_100011216152_100000070173 [1,1,0,0,0,0|1,0,0]=3 463 B18R2.71620 CC(C)CCCCSc1ccc2[nH]ccc2n1 62a_100011216152_100000087148 [1,1,0,0,0,0|2,0,0]=4 464 B18R2.71620 CC(C)CCCCSc1ccc2[nH]cnc2c1 62a_100011216152_100011265325 [1,1,0,0,0,0|2,0,0]=4 465 B18R2.71620 CC(C)CCCCSc1ccc2[nH]nnc2n1 62a_100011216152_100000056387 [1,1,0,0,0,0|2,0,0]=4 466 B18R2.71620 CC(C)CCCCSc1ncc2[nH]ccc2n1 62a_100011216152_100009831719 [1,1,0,0,0,0|1,0,0]=3 467 B18R2.71620 CC(C)CCCCSc1ncc2[nH]ncc2n1 62a_100011216152_100009843425 [1,1,0,0,0,0|2,0,0]=4 468 B18R2.71620 CC(C)CCCCSc1ncc2cc[nH]c2n1 62a_100011216152_100000059789 [1,1,0,0,0,0|1,0,1]=4 469 B18R2.71620 CC(C)CCCCSc1ncc2ccsc2n1 62a_100011216152_100009840870 [1,1,0,0,0,0|2,0,0]=4 470 B18R2.71620 CC(C)CCCCSc1ncc2nc[nH]c2n1 62a_100011216152_100000009038 [1,1,0,0,0,0|0,0,2]=4 471 B18R2.71620 CC(C)CCCCSc1ncc2sccc2n1 62a_100011216152_100000117912 [1,1,0,0,0,0|2,0,0]=4 472 B18R2.121812 CCCCCCSc1cc2nc[nH]c2cc1F 62a_100000210314_100012361300 [1,1,0,0,0,0|2,0,0]=4 473 B18R2.121812 CCCCCCSc1cc2nc[nH]c2cc1F 62a_100012361300_100000210757 [1,1,0,0,0,0|2,0,0]=4 474 B18R2.121812 CCCCCCSc1cc2nc[nH]c2cc1N 62a_100000210314_200010336578 [1,1,0,0,0,0|2,0,0]=4 475 B18R2.121812 CCCCCCSc1cc2nc[nH]c2cc1N 62a_200010336578_100000210757 [1,1,0,0,0,0|2,0,0]=4 476 B18R2.121880 CCCCCCSc1ncc2ccn(c2n1)C 62a_100000210314_100009859872 [1,1,0,0,0,0|1,0,1]=4 477 B18R2.121880 CCCCCCSc1ncc2ncn(c2n1)C 62a_100000210314_100000085903 [1,1,0,0,0,0|0,0,2]=4 478 B18R2.872532 CCCCCCSc1cc2c(cn1)NC(=O)C2 62a_100000210314_100000104063 [1,1,0,0,0,0|2,0,0]=4 479 B18R2.872532 CCCCCCSc1cc2nc(sc2cn1)N 62a_100000210314_100009884557 [1,1,0,0,0,0|2,0,0]=4 480 B18R2.872532 CCCCCCSc1cc2nc(sc2cn1)N 62a_100009884557_100000210757 [1,1,0,0,0,0|2,0,0]=4 481 B18R2.872532 CCCCCCSc1ccc2[nH]c(nc2c1)C 62a_100000210314_100011264012 [1,1,0,0,0,0|2,0,0]=4 482 B18R2.872532 CCCCCCSc1ccc2c(n1)CC(=O)N2 62a_100000210314_100000087150 [1,1,0,0,0,0|2,0,0]=4 483 B18R2.872532 CCCCCCSc1ncc2c(n1)NC(=O)C2 62a_100000210314_100000086852 [1,1,0,0,0,0|1,0,1]=4 484 B18R2.872541 CCCCCCNc1ccc2c(n1)ncn2C 27a_100000210581_100010385288 [1,1,0,0,0,0|2,0,0]=4 485 B18R2.872541 CCCCCCNc1ncc2c(n1)ccn2C 27a_100000210581_100010385126 [1,1,0,0,0,0|2,0,0]=4 486 B18R2.872541 CCCCCCSc1cc2ncn(c2cn1)C 62a_100000210314_200010979150 [1,1,0,0,0,0|1,0,0]=3 487 B18R2.872541 CCCCCCSc1ccc2c(c1)ncn2C 62a_100000210314_100000718706 [1,1,0,0,0,0|2,0,0]=4 488 B18R2.872541 CCCCCCSc1ccc2c(n1)ncn2C 62a_100000210314_100010385288 [1,1,0,0,0,0|1,0,0]=3 489 B18R2.872541 CCCCCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000210757 [1,1,0,0,0,0|1,0,0]=3 490 B18R2.872541 CCCCCCSc1ncc2c(n1)ccn2C 62a_100000210314_100010385126 [1,1,0,0,0,0|1,0,0]=3 491 B18R2.872541 CCCCOCSc1cc2ncn(c2cn1)C 62a_100011995733_200010979150 [1,1,0,0,0,0|2,0,0]=4 492 B18R2.872541 CCCCOCSc1ccc2c(n1)ncn2C 62a_100010385288_100011995733 [1,1,0,0,0,0|2,0,0]=4 493 B18R2.872541 CCCCOCSc1ccc2c(n1)ncn2C 62a_100011995733_100010385288 [1,1,0,0,0,0|2,0,0]=4 494 B18R2.872541 CCCCOCSc1ncc2c(n1)ccn2C 62a_100011995733_100010385126 [1,1,0,0,0,0|2,0,0]=4 495 B18R2.872541 CCCOCCSc1cc2ncn(c2cn1)C 62a_100011215938_200010979150 [1,1,0,0,0,0|2,0,0]=4 496 B18R2.872541 CCCOCCSc1ccc2c(n1)ncn2C 62a_100010385288_100011215938 [1,1,0,0,0,0|2,0,0]=4 497 B18R2.872541 CCCOCCSc1ccc2c(n1)ncn2C 62a_100011215938_100010385288 [1,1,0,0,0,0|2,0,0]=4 498 B18R2.872541 CCCOCCSc1ncc2c(n1)ccn2C 62a_100011215938_100010385126 [1,1,0,0,0,0|2,0,0]=4 499 B18R2.872541 CCOCCCSc1cc2ncn(c2cn1)C 62a_100012232248_200010979150 [1,1,0,0,0,0|2,0,0]=4 500 B18R2.872541 CCOCCCSc1ccc2c(n1)ncn2C 62a_100010385288_100012232248 [1,1,0,0,0,0|2,0,0]=4 501 B18R2.872541 CCOCCCSc1ccc2c(n1)ncn2C 62a_100012232248_100010385288 [1,1,0,0,0,0|2,0,0]=4 502 B18R2.872541 CCOCCCSc1ncc2c(n1)ccn2C 62a_100012232248_100010385126 [1,1,0,0,0,0|2,0,0]=4 503 B18R2.872541 COCCCCSc1cc2ncn(c2cn1)C 62a_100000730899_200010979150 [1,1,0,0,0,0|2,0,0]=4 504 B18R2.872541 COCCCCSc1ccc2c(n1)ncn2C 62a_100000730899_100010385288 [1,1,0,0,0,0|2,0,0]=4 505 B18R2.872541 COCCCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000730899 [1,1,0,0,0,0|2,0,0]=4 506 B18R2.872541 COCCCCSc1ncc2c(n1)ccn2C 62a_100000730899_100010385126 [1,1,0,0,0,0|2,0,0]=4 507 B18R2.872541 Cn1ccc2c1cnc(n2)SCCCCCF 62a_100000729378_100010385126 [1,1,0,0,0,0|2,0,0]=4 508 B18R2.872541 Cn1ccc2c1cnc(n2)SCCCCCO 62a_100000746330_100010385126 [1,1,0,0,0,0|2,0,0]=4 509 B18R2.872541 Cn1cnc2c1ccc(n2)SCCCCCF 62a_100000729378_100010385288 [1,1,0,0,0,0|2,0,0]=4 510 B18R2.872541 Cn1cnc2c1ccc(n2)SCCCCCF 62a_100010385288_100000729378 [1,1,0,0,0,0|2,0,0]=4 511 B18R2.872541 Cn1cnc2c1ccc(n2)SCCCCCO 62a_100000746330_100010385288 [1,1,0,0,0,0|2,0,0]=4 512 B18R2.872541 Cn1cnc2c1ccc(n2)SCCCCCO 62a_100010385288_100000746330 [1,1,0,0,0,0|2,0,0]=4 513 B18R2.872541 Cn1cnc2c1cnc(c2)SCCCCCF 62a_100000729378_200010979150 [1,1,0,0,0,0|2,0,0]=4 514 B18R2.872541 Cn1cnc2c1cnc(c2)SCCCCCO 62a_100000746330_200010979150 [1,1,0,0,0,0|2,0,0]=4 515 B18R2.63549 CC(C)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011214892_100020644719 [1,1,0,0,0,0|0,0,2]=4 516 B18R2.63549 CC(O)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_200000718107_100020644719 [1,1,0,0,0,0|0,0,2]=4 517 B18R2.75311 CCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210326_200010292222 [1,1,0,0,0,0|1,0,0]=3 518 B18R2.75311 CCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210326_100102591833 [1,1,0,0,0,0|1,0,0]=3 519 B18R2.75311 CCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210326_200012279070 [1,1,0,0,0,0|0,0,2]=4 520 B18R2.75311 CCCCCSc1nc(c2sccc2n1)OC 62a_100000210326_200014799438 [1,1,0,0,0,0|2,0,0]=4 521 B18R2.75311 CCOCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210147_200010292222 [1,1,0,0,0,0|2,0,0]=4 522 B18R2.75311 CCOCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210147_100102591833 [1,1,0,0,0,0|2,0,0]=4 523 B18R2.75311 CCSCCSc1nc(c2[nH]ccc2n1)OC 62a_100000757381_200010292222 [1,1,0,0,0,0|2,0,0]=4 524 B18R2.75311 CCSCCSc1nc(c2[nH]cnc2n1)NC 62a_100000757381_100102591833 [1,1,0,0,0,0|2,0,0]=4 525 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCCF 62a_100000729493_100102591833 [1,1,0,0,0,0|2,0,0]=4 526 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCCO 62a_100000210776_100102591833 [1,1,0,0,0,0|2,0,0]=4 527 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCOC 62a_100000709357_100102591833 [1,1,0,0,0,0|2,0,0]=4 528 B18R2.75311 COCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000709357_200010292222 [1,1,0,0,0,0|2,0,0]=4 529 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCCF 62a_100000729493_200010292222 [1,1,0,0,0,0|2,0,0]=4 530 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCCO 62a_100000210776_200010292222 [1,1,0,0,0,0|2,0,0]=4 531 B18R2.123296 CCCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200011215066_100020644719 [1,1,0,0,0,0|0,0,2]=4 532 B18R2.124436 CCCC(C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011216630_100020644719 [1,1,0,0,0,0|0,0,2]=4 533 B18R2.1854125 C#CCCCSc1nc(c2c(n1)ncn2C)O 62a_100011215417_100000005714 [1,1,0,0,0,0|0,0,2]=4 534 B18R2.1854125 C=CCCCSc1nc(c2c(n1)ncn2C)O 62a_100011713584_100000005714 [1,1,0,0,0,0|0,0,2]=4 535 B18R2.1854125 CC/C=C\CSc1nc(c2c(n1)ncn2C)O 62a_100103147603_100000005714 [1,1,0,0,0,0|0,0,2]=4 536 B18R2.1854125 CCC#CCSc1nc(c2c(n1)ncn2C)O 62a_100009813939_100000005714 [1,1,0,0,0,0|0,0,2]=4 537 B18R2.1854125 CCCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016275911_100000005714 [1,1,0,0,0,0|0,0,2]=4 538 B18R2.1854125 CCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000209983_100000005714 [1,1,0,0,0,0|1,0,0]=3 539 B18R2.1854125 CCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210326_100000005714 [1,1,0,0,0,0|0,0,0]=2 540 B18R2.1854125 CCOCCNc1nc(c2c(n1)ncn2C)O 27a_100011200944_100000005714 [1,1,0,0,0,0|2,0,0]=4 541 B18R2.1854125 CCOCCSc1nc(c2c(n1)ncn2C)O 62a_100000210147_100000005714 [1,1,0,0,0,0|1,0,0]=3 542 B18R2.1854125 CCSCCNc1nc(c2c(n1)ncn2C)O 27a_100000106463_100000005714 [1,1,0,0,0,0|2,0,0]=4 543 B18R2.1854125 CCSCCSc1nc(c2c(n1)ncn2C)O 62a_100000757381_100000005714 [1,1,0,0,0,0|1,0,0]=3 544 B18R2.1854125 COCCCNc1nc(c2c(n1)ncn2C)O 27a_100150723488_100000005714 [1,1,0,0,0,0|2,0,0]=4 545 B18R2.1854125 COCCCSc1nc(c2c(n1)ncn2C)O 62a_100000709357_100000005714 [1,1,0,0,0,0|1,0,0]=3 546 B18R2.1854125 CSCCCNc1nc(c2c(n1)ncn2C)O 27a_100000749238_100000005714 [1,1,0,0,0,0|2,0,0]=4 547 B18R2.1854125 Cn1cnc2c1c(nc(n2)NCCCCO)O 27a_100000750430_100000005714 [1,1,0,0,0,0|2,0,0]=4 548 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCC#N)O 62a_100000687738_100000005714 [1,1,0,0,0,0|1,0,1]=4 549 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCC=O)O 62a_200011292268_100000005714 [1,1,0,0,0,0|1,0,1]=4 550 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCCF)O 62a_100000729493_100000005714 [1,1,0,0,0,0|1,0,0]=3 551 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCCO)O 62a_100000210776_100000005714 [1,1,0,0,0,0|1,0,0]=3 552 B20R2.33615 CCCCCCSc1nc(c2ccccc2n1)OC 62a_100000210314_100000215967 [0,1,0,0,0,1|2,0,0]=4 553 B20R2.148869 CC(C)CCCCSc1nc(c2ccccc2n1)O 62a_100011216152_100000187174 [0,1,0,0,0,1|2,0,0]=4 554 B20R2.313314 CCCCCCCSc1nc(c2ccccc2n1)O 62a_100000210614_100000187174 [0,1,0,0,0,1|2,0,0]=4 555 B20R2.313314 CCCCOCCSc1nc(c2ccccc2n1)O 62a_100000743108_100000187174 [0,1,0,0,0,1|2,0,0]=4 556 B20R2.313314 OCCCCCCSc1nc(c2ccccc2n1)O 62a_100000766143_100000187174 [0,1,0,0,0,1|2,0,0]=4 557 B20R2.313314 Oc1nc(nc2c1cccc2)SCCCCCCF 62a_100015922095_100000187174 [0,1,0,0,0,1|2,0,0]=4 558 B20R2.335703 CCCCCC(C)Sc1nc(c2ccccc2n1)O 62a_200011218191_100000187174 [0,1,0,0,0,1|2,0,0]=4 559 B20R2.2290309 CCCCCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215978_100020644719 [0,2,0,0,0,0|0,0,2]=4 560 B20R2.2719365 CCCCCC(C)Sc1nc(c2[nH]ccc2n1)OC 62a_200011218191_200010292222 [0,2,0,0,0,0|1,0,0]=3 561 B20R2.2719365 CCCCCC(C)Sc1nc(c2[nH]cnc2n1)NC 62a_200011218191_100102591833 [0,2,0,0,0,0|1,0,0]=3 562 B20R2.2719365 CCCCCC(C)Sc1nc(c2nc[nH]c2n1)OC 62a_200011218191_200012279070 [0,2,0,0,0,0|0,0,2]=4 563 B20R2.2719365 CCCCCC(C)Sc1nc(c2sccc2n1)OC 62a_200011218191_200014799438 [0,2,0,0,0,0|2,0,0]=4 564 B20R2.4558252 CCCCCC(C)Nc1nc(c2c(n1)ncn2C)O 27a_100000211957_100000005714 [0,2,0,0,0,0|1,0,0]=3 565 B20R2.4558252 CCCCCC(C)Sc1nc(c2c(n1)ncn2C)O 62a_200011218191_100000005714 [0,2,0,0,0,0|0,0,0]=2 566 B20R2.291399 CNc1nc(nc2c1[nH]cn2)SCCCCC(=O)C 62a_100000735457_100102591833 [0,2,0,0,0,0|1,0,1]=4 567 B20R2.291399 CNc1nc(nc2c1[nH]cn2)SCCCCC(C)C 62a_100011216152_100102591833 [0,2,0,0,0,0|1,0,0]=3 568 B20R2.291399 COc1nc(nc2c1[nH]cc2)SCCCCC(=O)C 62a_100000735457_200010292222 [0,2,0,0,0,0|1,0,1]=4 569 B20R2.291399 COc1nc(nc2c1[nH]cc2)SCCCCC(C)C 62a_100011216152_200010292222 [0,2,0,0,0,0|1,0,0]=3 570 B20R2.291399 COc1nc(nc2c1nc[nH]2)SCCCCC(C)C 62a_100011216152_200012279070 [0,2,0,0,0,0|0,0,2]=4 571 B20R2.291399 COc1nc(nc2c1scc2)SCCCCC(C)C 62a_100011216152_200014799438 [0,2,0,0,0,0|2,0,0]=4 572 B20R2.8260318 CC(=O)CCCCSc1nc(c2c(n1)ncn2C)O 62a_100000735457_100000005714 [0,2,0,0,0,0|0,0,1]=3 573 B20R2.8260318 CC(=O)OCCCSc1nc(c2c(n1)ncn2C)O 62a_100000042594_100000005714 [0,2,0,0,0,0|1,0,1]=4 574 B20R2.8260318 CC(=O)SCCCSc1nc(c2c(n1)ncn2C)O 62a_100000038929_100000005714 [0,2,0,0,0,0|1,0,1]=4 575 B20R2.8260318 CC(=S)OCCCSc1nc(c2c(n1)ncn2C)O 62a_200135323944_100000005714 [0,2,0,0,0,0|1,0,1]=4 576 B20R2.8260318 CC(C)CCCCSc1nc(c2c(n1)ncn2C)O 62a_100011216152_100000005714 [0,2,0,0,0,0|0,0,0]=2 577 B20R2.8260318 CC(C)OCCCNc1nc(c2c(n1)ncn2C)O 27a_100000737246_100000005714 [0,2,0,0,0,0|2,0,0]=4 578 B20R2.8260318 CN(C)CCCCNc1nc(c2c(n1)ncn2C)O 27a_100025707445_100000005714 [0,2,0,0,0,0|2,0,0]=4 579 B20R2.8260318 Cn1cnc2c1c(nc(n2)SCCCCB(O)O)O 62a_200009817182_100000005714 [0,2,0,0,0,0|2,0,0]=4 580 B20R2.8260318 Cn1cnc2c1c(nc(n2)SCCOCC(F)F)O 62a_200012177212_100000005714 [0,2,0,0,0,0|2,0,0]=4 581 B20R2.148885 CC(C)CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210682_100020644719 [0,2,0,0,0,0|0,0,2]=4 582 B20R2.253927 C#CCCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012276617_100020644719 [0,2,0,0,0,0|0,0,2]=4 583 B20R2.253927 C=CCCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215473_100020644719 [0,2,0,0,0,0|0,0,2]=4 584 B20R2.253927 CCCCCC#CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009816472_100020644719 [0,2,0,0,0,0|0,0,2]=4 585 B20R2.253927 CCCCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210759_100020644719 [0,2,0,0,0,0|0,0,2]=4 586 B20R2.253927 CCOCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011211534_100020644719 [0,2,0,0,0,0|0,0,2]=4 587 B20R2.253927 COCCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011998445_100020644719 [0,2,0,0,0,0|0,0,2]=4 588 B20R2.253927 COCCOCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011216529_100020644719 [0,2,0,0,0,0|0,0,2]=4 589 B20R2.253927 N#CCCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009813337_100020644719 [0,2,0,0,0,0|0,0,2]=4 590 B20R2.253927 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCCCO 62a_100000760002_100020644719 [0,2,0,0,0,0|0,0,2]=4 591 B20R2.313339 C#CCCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100012094781_200010292222 [0,2,0,0,0,0|1,0,1]=4 592 B20R2.313339 C#CCCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100012094781_100102591833 [0,2,0,0,0,0|1,0,1]=4 593 B20R2.313339 C=CCCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000700193_200010292222 [0,2,0,0,0,0|1,0,1]=4 594 B20R2.313339 C=CCCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000700193_100102591833 [0,2,0,0,0,0|1,0,1]=4 595 B20R2.313339 CCCCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210614_200010292222 [0,2,0,0,0,0|1,0,0]=3 596 B20R2.313339 CCCCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210614_100102591833 [0,2,0,0,0,0|1,0,0]=3 597 B20R2.313339 CCCCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210614_200012279070 [0,2,0,0,0,0|0,0,2]=4 598 B20R2.313339 CCCCCCCSc1nc(c2sccc2n1)OC 62a_100000210614_200014799438 [0,2,0,0,0,0|2,0,0]=4 599 B20R2.313339 CCCCOCCSc1nc(c2[nH]ccc2n1)OC 62a_100000743108_200010292222 [0,2,0,0,0,0|1,0,0]=3 600 B20R2.313339 CCCCOCCSc1nc(c2[nH]cnc2n1)NC 62a_100000743108_100102591833 [0,2,0,0,0,0|1,0,0]=3 601 B20R2.313339 CCCCOCCSc1nc(c2nc[nH]c2n1)OC 62a_100000743108_200012279070 [0,2,0,0,0,0|0,0,2]=4 602 B20R2.313339 CCCCOCCSc1nc(c2sccc2n1)OC 62a_100000743108_200014799438 [0,2,0,0,0,0|2,0,0]=4 603 B20R2.313339 CNc1nc(nc2c1[nH]cn2)SCCCCCC#N 62a_100009813376_100102591833 [0,2,0,0,0,0|1,0,1]=4 604 B20R2.313339 CNc1nc(nc2c1[nH]cn2)SCCCCCC=O 62a_100000139337_100102591833 [0,2,0,0,0,0|1,0,1]=4 605 B20R2.313339 CNc1nc(nc2c1[nH]cn2)SCCCCCCF 62a_100015922095_100102591833 [0,2,0,0,0,0|1,0,0]=3 606 B20R2.313339 CNc1nc(nc2c1[nH]cn2)SCCCCCCO 62a_100000766143_100102591833 [0,2,0,0,0,0|1,0,0]=3 607 B20R2.313339 CNc1nc(nc2c1[nH]cn2)SCCOCCOC 62a_100000695917_100102591833 [0,2,0,0,0,0|2,0,0]=4 608 B20R2.313339 COCCOCCSc1nc(c2[nH]ccc2n1)OC 62a_100000695917_200010292222 [0,2,0,0,0,0|2,0,0]=4 609 B20R2.313339 COc1nc(nc2c1[nH]cc2)SCCCCCC#N 62a_100009813376_200010292222 [0,2,0,0,0,0|1,0,1]=4 610 B20R2.313339 COc1nc(nc2c1[nH]cc2)SCCCCCC=O 62a_100000139337_200010292222 [0,2,0,0,0,0|1,0,1]=4 611 B20R2.313339 COc1nc(nc2c1[nH]cc2)SCCCCCCF 62a_100015922095_200010292222 [0,2,0,0,0,0|1,0,0]=3 612 B20R2.313339 COc1nc(nc2c1[nH]cc2)SCCCCCCO 62a_100000766143_200010292222 [0,2,0,0,0,0|1,0,0]=3 613 B20R2.313339 COc1nc(nc2c1nc[nH]2)SCCCCCCF 62a_100015922095_200012279070 [0,2,0,0,0,0|0,0,2]=4 614 B20R2.313339 COc1nc(nc2c1nc[nH]2)SCCCCCCO 62a_100000766143_200012279070 [0,2,0,0,0,0|0,0,2]=4 615 B20R2.313339 COc1nc(nc2c1scc2)SCCCCCCF 62a_100015922095_200014799438 [0,2,0,0,0,0|2,0,0]=4 616 B20R2.313339 COc1nc(nc2c1scc2)SCCCCCCO 62a_100000766143_200014799438 [0,2,0,0,0,0|2,0,0]=4 617 B20R2.336004 CCCCCC(=O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_200012276598_100020644719 [0,2,0,0,0,0|0,0,2]=4 618 B20R2.7846330 C#CCCCCCSc1nc(c2c(n1)ncn2C)O 62a_100012094781_100000005714 [0,2,0,0,0,0|0,0,1]=3 619 B20R2.7846330 C=CCCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000700193_100000005714 [0,2,0,0,0,0|0,0,1]=3 620 B20R2.7846330 CCCCCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_200015348155_100000005714 [0,2,0,0,0,0|1,0,0]=3 621 B20R2.7846330 CCCCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000229938_100000005714 [0,2,0,0,0,0|1,0,0]=3 622 B20R2.7846330 CCCCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210614_100000005714 [0,2,0,0,0,0|0,0,0]=2 623 B20R2.7846330 CCCCOCCSc1nc(c2c(n1)ncn2C)O 62a_100000743108_100000005714 [0,2,0,0,0,0|0,0,0]=2 624 B20R2.7846330 CCCCSCCNc1nc(c2c(n1)ncn2C)O 27a_100025743550_100000005714 [0,2,0,0,0,0|1,0,0]=3 625 B20R2.7846330 CCCOCCCNc1nc(c2c(n1)ncn2C)O 27a_100011217757_100000005714 [0,2,0,0,0,0|1,0,0]=3 626 B20R2.7846330 COCCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000747528_100000005714 [0,2,0,0,0,0|1,0,0]=3 627 B20R2.7846330 COCCOCCNc1nc(c2c(n1)ncn2C)O 27a_100000745349_100000005714 [0,2,0,0,0,0|2,0,0]=4 628 B20R2.7846330 COCCOCCSc1nc(c2c(n1)ncn2C)O 62a_100000695917_100000005714 [0,2,0,0,0,0|1,0,0]=3 629 B20R2.7846330 Cn1cnc2c1c(nc(n2)NCCCCCC#N)O 27a_100000061152_100000005714 [0,2,0,0,0,0|1,0,1]=4 630 B20R2.7846330 Cn1cnc2c1c(nc(n2)NCCCCCCO)O 27a_100000686447_100000005714 [0,2,0,0,0,0|1,0,0]=3 631 B20R2.7846330 Cn1cnc2c1c(nc(n2)SCCCCCC#N)O 62a_100009813376_100000005714 [0,2,0,0,0,0|0,0,1]=3 632 B20R2.7846330 Cn1cnc2c1c(nc(n2)SCCCCCC=O)O 62a_100000139337_100000005714 [0,2,0,0,0,0|0,0,1]=3 633 B20R2.7846330 Cn1cnc2c1c(nc(n2)SCCCCCCF)O 62a_100015922095_100000005714 [0,2,0,0,0,0|0,0,0]=2 634 B20R2.7846330 Cn1cnc2c1c(nc(n2)SCCCCCCO)O 62a_100000766143_100000005714 [0,2,0,0,0,0|0,0,0]=2 635 B20R2.3924865 CCNC(=O)CCSc1nc(c2c(n1)ncn2C)O 62a_100000737597_100000005714 [0,2,0,0,0,0|1,0,1]=4 636 B20R2.3924865 CCOC(=O)CCSc1nc(c2c(n1)ncn2C)O 62a_100000765890_100000005714 [0,2,0,0,0,0|1,0,1]=4 637 B20R2.14156892 CNC(=O)CCCSc1nc(c2c(n1)ncn2C)O 62a_100000741757_100000005714 [0,2,0,0,0,0|1,0,1]=4 638 B20R2.14156892 COC(=O)CCCSc1nc(c2c(n1)ncn2C)O 62a_100011218270_100000005714 [0,2,0,0,0,0|1,0,1]=4 639 B20R2.256895 CCCCCCSc1nc(c2sccc2n1)OCC 62a_100000210314_100012350542 [0,2,0,0,0,0|2,0,0]=4 640 B20R2.828512 CCCCC(CC)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000211942_100020644719 [0,2,0,0,0,0|0,0,2]=4 641 B20R2.3779266 CCCNC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_100000183358_100000005714 [0,2,0,0,0,0|1,0,1]=4 642 B20R2.3779266 CCCOC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_200011215008_100000005714 [0,2,0,0,0,0|1,0,1]=4 643 B20R2.3779266 CCCOC(C)CNc1nc(c2c(n1)ncn2C)O 27a_100015185124_100000005714 [0,2,0,0,0,0|2,0,0]=4 644 B20R2.3779266 CCOCC(O)CNc1nc(c2c(n1)ncn2C)O 27a_102515437182_100000005714 [0,2,0,0,0,0|2,0,0]=4 645 B20R2.3779266 C[C@H](CCCO)CNc1nc(c2c(n1)ncn2C)O 27a_100160569302_100000005714 [0,2,0,0,0,0|2,0,0]=4 646 B20R2.18719392 CCCCCCN(C)c1nc(c2c(n1)ncn2C)O 27a_106256046315_100000005714 [0,2,0,0,0,0|1,0,0]=3 647 B20R2.18719392 CN(CCCCCO)c1nc(c2c(n1)ncn2C)O 27a_100000722520_100000005714 [0,2,0,0,0,0|2,0,0]=4 648 B18R2.16178 CCCCCCSc1ncnc2c1c(c[nH]2)C 62a_100000210314_100000092391 [0,0,1,1,0,0|2,0,0]=4 649 B18R2.16178 CCCCCCSc1ncnc2c1c(c[nH]2)F 62a_100000210314_100009880486 [0,0,1,1,0,0|2,0,0]=4 650 B18R3.3958 CC1CCCCN1c2ncc3[nH]ccc3n2 27a_100000211376_100009831719 [1,0,0,1,0,0|2,0,0]=4 651 B18R3.6238 O[C@@H]1CCC[C@H]1Sc2cc3nc[nH]c3cn2 62a_200016002552_100000070173 [1,0,0,1,0,0|2,0,0]=4 652 B18R3.6238 O[C@@H]1CCC[C@H]1Sc2ncc3[nH]ccc3n2 62a_200016002552_100009831719 [1,0,0,1,0,0|2,0,0]=4 653 B18R3.10316 c1cc2nc(ncc2[nH]1)N3CCCCCC3 27a_100000185865_100009831719 [1,0,0,1,0,0|2,0,0]=4 654 B18R3.12078 CCC1CCCN1c2ncc3[nH]ccc3n2 27a_100000754278_100009831719 [1,0,0,1,0,0|2,0,0]=4 655 B18R3.12792 c1cc2[nH]nnc2nc1SC3CCCCC3 62a_100000210327_100000056387 [1,0,0,1,0,0|2,0,0]=4 656 B18R3.12792 c1cc2cc(ncc2[nH]1)SC3CCCCC3 62a_100000210327_100009864809 [1,0,0,1,0,0|2,0,0]=4 657 B18R3.12792 c1cc2cnc(nc2[nH]1)SC3CCCCC3 62a_100000210327_100000059789 [1,0,0,1,0,0|1,0,1]=4 658 B18R3.12792 c1cc2cnc(nc2s1)SC3CCCCC3 62a_100000210327_100009840870 [1,0,0,1,0,0|2,0,0]=4 659 B18R3.12792 c1cc2nc(ccc2[nH]1)SC3CCCCC3 62a_100000210327_100000087148 [1,0,0,1,0,0|2,0,0]=4 660 B18R3.12792 c1cc2nc(ncc2[nH]1)NC3CCCCC3 27a_100000182618_100009831719 [1,0,0,1,0,0|2,0,0]=4 661 B18R3.12792 c1cc2nc(ncc2[nH]1)SC3CCCCC3 62a_100000210327_100009831719 [1,0,0,1,0,0|1,0,0]=3 662 B18R3.12792 c1cc2nc(ncc2s1)SC3CCCCC3 62a_100000210327_100000117912 [1,0,0,1,0,0|2,0,0]=4 663 B18R3.12792 c1n[nH]c2c1nc(nc2)SC3CCCCC3 62a_100000210327_100009843425 [1,0,0,1,0,0|2,0,0]=4 664 B18R3.12792 c1nc2cc(ccc2[nH]1)SC3CCCCC3 62a_100000210327_100011265325 [1,0,0,1,0,0|2,0,0]=4 665 B18R3.12792 c1nc2cc(ncc2[nH]1)SC3CCCCC3 62a_100000210327_100000070173 [1,0,0,1,0,0|1,0,0]=3 666 B18R3.12792 c1nc2cnc(nc2[nH]1)SC3CCCCC3 62a_100000210327_100000009038 [1,0,0,1,0,0|0,0,2]=4 667 B18R3.36602 c1cc2[nH]nnc2nc1SCC3CCCC3 62a_100000740388_100000056387 [1,0,0,1,0,0|2,0,0]=4 668 B18R3.36602 c1cc2cc(ncc2[nH]1)SCC3CCCC3 62a_100000740388_100009864809 [1,0,0,1,0,0|2,0,0]=4 669 B18R3.36602 c1cc2cnc(nc2[nH]1)SCC3CCCC3 62a_100000740388_100000059789 [1,0,0,1,0,0|1,0,1]=4 670 B18R3.36602 c1cc2cnc(nc2s1)SCC3CCCC3 62a_100000740388_100009840870 [1,0,0,1,0,0|2,0,0]=4 671 B18R3.36602 c1cc2nc(ccc2[nH]1)SCC3CCCC3 62a_100000740388_100000087148 [1,0,0,1,0,0|2,0,0]=4 672 B18R3.36602 c1cc2nc(ncc2[nH]1)NCC3CCCC3 27a_100000737975_100009831719 [1,0,0,1,0,0|2,0,0]=4 673 B18R3.36602 c1cc2nc(ncc2[nH]1)SCC3CCCC3 62a_100000740388_100009831719 [1,0,0,1,0,0|1,0,0]=3 674 B18R3.36602 c1cc2nc(ncc2[nH]1)SCC3CCCO3 62a_100000203698_100009831719 [1,0,0,1,0,0|2,0,0]=4 675 B18R3.36602 c1cc2nc(ncc2[nH]1)SCC3CCOC3 62a_100000702531_100009831719 [1,0,0,1,0,0|2,0,0]=4 676 B18R3.36602 c1cc2nc(ncc2s1)SCC3CCCC3 62a_100000740388_100000117912 [1,0,0,1,0,0|2,0,0]=4 677 B18R3.36602 c1n[nH]c2c1nc(nc2)SCC3CCCC3 62a_100000740388_100009843425 [1,0,0,1,0,0|2,0,0]=4 678 B18R3.36602 c1nc2cc(ccc2[nH]1)SCC3CCCC3 62a_100000740388_100011265325 [1,0,0,1,0,0|2,0,0]=4 679 B18R3.36602 c1nc2cc(ncc2[nH]1)SCC3CCCC3 62a_100000740388_100000070173 [1,0,0,1,0,0|1,0,0]=3 680 B18R3.36602 c1nc2cc(ncc2[nH]1)SCC3CCCO3 62a_100000203698_100000070173 [1,0,0,1,0,0|2,0,0]=4 681 B18R3.36602 c1nc2cc(ncc2[nH]1)SCC3CCOC3 62a_100000702531_100000070173 [1,0,0,1,0,0|2,0,0]=4 682 B18R3.36602 c1nc2cnc(nc2[nH]1)SCC3CCCC3 62a_100000740388_100000009038 [1,0,0,1,0,0|0,0,2]=4 683 B18R3.238566 c1cc2nc(ncc2[nH]1)SCCCC3CO3 62a_100000733510_100009831719 [1,0,0,1,0,0|2,0,0]=4 684 B18R3.238566 c1nc2cc(ncc2[nH]1)SCCCC3CO3 62a_100000733510_100000070173 [1,0,0,1,0,0|2,0,0]=4 685 B18R3.100893 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCC3 62a_100011217020_100020644719 [1,0,0,1,0,0|0,0,2]=4 686 B18R3.916107 O=c1[nH]c(nc2c1[nH]cn2)SCCC3CC3 62a_100000764125_100020644719 [1,0,0,1,0,0|0,0,2]=4 687 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCC3 62a_100000763275_100020644719 [1,0,0,1,0,0|0,0,2]=4 688 B20R3.13449 Oc1nc(nc2c1cccc2)SC3CCCCC3 62a_100000210327_100000187174 [0,0,0,1,0,1|2,0,0]=4 689 B20R3.281927 Oc1nc(nc2c1cccc2)SCC3CCCC3 62a_100000740388_100000187174 [0,0,0,1,0,1|2,0,0]=4 690 B20R3.4726715 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCCCC3 62a_100011217769_100020644719 [0,1,0,1,0,0|0,0,2]=4 691 B20R3.8045 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCCC3F 62a_100015423560_100020644719 [0,1,0,1,0,0|0,0,2]=4 692 B20R3.8045 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCCC3O 62a_100000038908_100020644719 [0,1,0,1,0,0|0,0,2]=4 693 B20R3.281911 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCCCC3 62a_100000211423_100020644719 [0,1,0,1,0,0|0,0,2]=4 694 B20R3.281911 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCCCO3 62a_100000211543_100020644719 [0,1,0,1,0,0|0,0,2]=4 695 B20R3.281911 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCCOC3 62a_100000741521_100020644719 [0,1,0,1,0,0|0,0,2]=4 696 B20R3.281911 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCOCC3 62a_100000754603_100020644719 [0,1,0,1,0,0|0,0,2]=4 697 B20R3.281914 O=c1[nH]c(nc2c1[nH]cn2)SCCC3CCCC3 62a_100000760354_100020644719 [0,1,0,1,0,0|0,0,2]=4 698 B20R3.281914 O=c1[nH]c(nc2c1[nH]cn2)SCCN3CCCC3 62a_100000700749_100020644719 [0,1,0,1,0,0|0,0,2]=4 699 B20R3.23858 CNc1nc(nc2c1[nH]cn2)SC3CCCCC3 62a_100000210327_100102591833 [0,1,0,1,0,0|1,0,0]=3 700 B20R3.23858 COc1nc(nc2c1[nH]cc2)SC3CCCCC3 62a_100000210327_200010292222 [0,1,0,1,0,0|1,0,0]=3 701 B20R3.23858 COc1nc(nc2c1nc[nH]2)SC3CCCCC3 62a_100000210327_200012279070 [0,1,0,1,0,0|0,0,2]=4 702 B20R3.23858 COc1nc(nc2c1scc2)SC3CCCCC3 62a_100000210327_200014799438 [0,1,0,1,0,0|2,0,0]=4 703 B20R3.492086 CNc1nc(nc2c1[nH]cn2)SCC3CCCC3 62a_100000740388_100102591833 [0,1,0,1,0,0|1,0,0]=3 704 B20R3.492086 CNc1nc(nc2c1[nH]cn2)SCC3CCCO3 62a_100000203698_100102591833 [0,1,0,1,0,0|2,0,0]=4 705 B20R3.492086 CNc1nc(nc2c1[nH]cn2)SCC3CCOC3 62a_100000702531_100102591833 [0,1,0,1,0,0|2,0,0]=4 706 B20R3.492086 COc1nc(nc2c1[nH]cc2)SCC3CCCC3 62a_100000740388_200010292222 [0,1,0,1,0,0|1,0,0]=3 707 B20R3.492086 COc1nc(nc2c1[nH]cc2)SCC3CCCO3 62a_100000203698_200010292222 [0,1,0,1,0,0|2,0,0]=4 708 B20R3.492086 COc1nc(nc2c1[nH]cc2)SCC3CCOC3 62a_100000702531_200010292222 [0,1,0,1,0,0|2,0,0]=4 709 B20R3.492086 COc1nc(nc2c1nc[nH]2)SCC3CCCC3 62a_100000740388_200012279070 [0,1,0,1,0,0|0,0,2]=4 710 B20R3.492086 COc1nc(nc2c1scc2)SCC3CCCC3 62a_100000740388_200014799438 [0,1,0,1,0,0|2,0,0]=4 711 B20R3.1347490 CNc1nc(nc2c1[nH]cn2)SCCCC3CO3 62a_100000733510_100102591833 [0,1,0,1,0,0|2,0,0]=4 712 B20R3.1347490 COc1nc(nc2c1[nH]cc2)SCCCC3CO3 62a_100000733510_200010292222 [0,1,0,1,0,0|2,0,0]=4 713 B20R3.1351191 CNc1nc(nc2c1[nH]cn2)S[C@@H]3CCC[C@H]3O 62a_200016002552_100102591833 [0,1,0,1,0,0|2,0,0]=4 714 B20R3.1351191 COc1nc(nc2c1[nH]cc2)S[C@@H]3CCC[C@H]3O 62a_200016002552_200010292222 [0,1,0,1,0,0|2,0,0]=4 715 B20R3.2312275 CCC1CCCN1c2nc(c3c(n2)ncn3C)O 27a_100000754278_100000005714 [0,1,0,1,0,0|1,0,0]=3 716 B20R3.2312275 Cn1cnc2c1c(nc(n2)N3CCC[C@@H]3CO)O 27a_100000745186_100000005714 [0,1,0,1,0,0|2,0,0]=4 717 B20R3.3198588 CC1CCCCN1c2nc(c3c(n2)ncn3C)O 27a_100000211376_100000005714 [0,1,0,1,0,0|1,0,0]=3 718 B20R3.3198588 C[C@H]1COCCN1c2nc(c3c(n2)ncn3C)O 27a_100009815349_100000005714 [0,1,0,1,0,0|2,0,0]=4 719 B20R3.3280980 Cn1cnc2c1c(nc(n2)NC3CCCCC3)O 27a_100000182618_100000005714 [0,1,0,1,0,0|1,0,0]=3 720 B20R3.3280980 Cn1cnc2c1c(nc(n2)NC3CCCOC3)O 27a_100000719290_100000005714 [0,1,0,1,0,0|2,0,0]=4 721 B20R3.3280980 Cn1cnc2c1c(nc(n2)NC3CCOCC3)O 27a_100000741149_100000005714 [0,1,0,1,0,0|2,0,0]=4 722 B20R3.3280980 Cn1cnc2c1c(nc(n2)NC3CCSCC3)O 27a_100000748639_100000005714 [0,1,0,1,0,0|2,0,0]=4 723 B20R3.3280980 Cn1cnc2c1c(nc(n2)SC3C=CCCC3)O 62a_100000751183_100000005714 [0,1,0,1,0,0|0,0,2]=4 724 B20R3.3280980 Cn1cnc2c1c(nc(n2)SC3CCCCC3)O 62a_100000210327_100000005714 [0,1,0,1,0,0|0,0,0]=2 725 B20R3.3636172 COCC1CCN1c2nc(c3c(n2)ncn3C)O 27a_100015195929_100000005714 [0,1,0,1,0,0|2,0,0]=4 726 B20R3.4493126 Cn1cnc2c1c(nc(n2)N[C@H]3CCC[C@@H]3O)O 27a_100000748460_100000005714 [0,1,0,1,0,0|2,0,0]=4 727 B20R3.4493126 Cn1cnc2c1c(nc(n2)SC3CCCC3=O)O 62a_100000211823_100000005714 [0,1,0,1,0,0|1,0,1]=4 728 B20R3.4493126 Cn1cnc2c1c(nc(n2)SC3COCC3O)O 62a_200000725654_100000005714 [0,1,0,1,0,0|2,0,0]=4 729 B20R3.4493126 Cn1cnc2c1c(nc(n2)S[C@@H]3CCC[C@H]3O)O 62a_200016002552_100000005714 [0,1,0,1,0,0|1,0,0]=3 730 B20R3.14818076 Cn1cnc2c1c(nc(n2)C3=CCCCCC3)O 271570a_200009888920_100000005714 [0,1,0,1,0,0|1,0,1]=4 731 B20R3.14818076 Cn1cnc2c1c(nc(n2)N3CCCCCC3)O 27a_100000185865_100000005714 [0,1,0,1,0,0|1,0,0]=3 732 B20R3.14818076 Cn1cnc2c1c(nc(n2)N3CCCOCC3)O 27a_100000685342_100000005714 [0,1,0,1,0,0|2,0,0]=4 733 B20R3.14818100 Cn1cnc2c1c(nc(n2)NCC3CCCC3)O 27a_100000737975_100000005714 [0,1,0,1,0,0|1,0,0]=3 734 B20R3.14818100 Cn1cnc2c1c(nc(n2)NCC3CCOC3)O 27a_100000737293_100000005714 [0,1,0,1,0,0|2,0,0]=4 735 B20R3.14818100 Cn1cnc2c1c(nc(n2)NC[C@@H]3CCCO3)O 27a_100020590478_100000005714 [0,1,0,1,0,0|2,0,0]=4 736 B20R3.14818100 Cn1cnc2c1c(nc(n2)SCC3CCCC3)O 62a_100000740388_100000005714 [0,1,0,1,0,0|0,0,0]=2 737 B20R3.14818100 Cn1cnc2c1c(nc(n2)SCC3CCCO3)O 62a_100000203698_100000005714 [0,1,0,1,0,0|1,0,0]=3 738 B20R3.14818100 Cn1cnc2c1c(nc(n2)SCC3CCOC3)O 62a_100000702531_100000005714 [0,1,0,1,0,0|1,0,0]=3 739 B20R3.14818100 Cn1cnc2c1c(nc(n2)SCC3OCCO3)O 62a_100000755774_100000005714 [0,1,0,1,0,0|2,0,0]=4 740 B20R3.14821142 Cn1cnc2c1c(nc(n2)SCC#CC3CC3)O 62a_100009895102_100000005714 [0,1,0,1,0,0|0,0,2]=4 741 B20R3.14821142 Cn1cnc2c1c(nc(n2)SCCCC3CO3)O 62a_100000733510_100000005714 [0,1,0,1,0,0|1,0,0]=3 742 B18R2.75286 CCCCCSc1nc(c2ccccc2n1)O 62a_100000210326_100000187174 [1,0,0,0,0,1|2,0,0]=4 743 B18R2.99360 CCCCCCSc1ncc(c2c1cc[nH]2)C 62a_100000210314_100010244391 [0,0,0,0,1,1|2,0,0]=4 744 B18R2.99360 CCCCCCSc1ncc(c2c1nc[nH]2)F 62a_100000210314_100009853726 [0,0,0,0,1,1|1,0,0]=3 745 B18R2.99360 CCCCOCSc1ncc(c2c1nc[nH]2)F 62a_100011995733_100009853726 [0,0,0,0,1,1|2,0,0]=4 746 B18R2.99360 CCCOCCSc1ncc(c2c1nc[nH]2)F 62a_100011215938_100009853726 [0,0,0,0,1,1|2,0,0]=4 747 B18R2.99360 CCOCCCSc1ncc(c2c1nc[nH]2)F 62a_100012232248_100009853726 [0,0,0,0,1,1|2,0,0]=4 748 B18R2.99360 COCCCCSc1ncc(c2c1nc[nH]2)F 62a_100000730899_100009853726 [0,0,0,0,1,1|2,0,0]=4 749 B18R2.99360 FCCCCCSc1ncc(c2c1nc[nH]2)F 62a_100000729378_100009853726 [0,0,0,0,1,1|2,0,0]=4 750 B18R2.99360 OCCCCCSc1ncc(c2c1nc[nH]2)F 62a_100000746330_100009853726 [0,0,0,0,1,1|2,0,0]=4