0 B16R2.6365 C#CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000688953_100020644719 [0,0,0,0,0,0|0,0,4]=4 1 B16R2.6365 C/C=C/CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100102629194_100020644719 [0,0,0,0,0,0|0,0,4]=4 2 B16R2.6365 C=CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000754431_100020644719 [0,0,0,0,0,0|0,0,4]=4 3 B16R2.6365 CC#CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000748600_100020644719 [0,0,0,0,0,0|0,0,4]=4 4 B16R2.6365 CC=CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000070051_100020644719 [0,0,0,0,0,0|0,0,4]=4 5 B16R2.6365 CCCC=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100016258520_100009812310 [0,0,0,0,0,0|1,0,3]=4 6 B16R2.6365 CCCCNc1cc2nccn2c(n1)O 27a_100000102301_100015273213 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.6365 CCCCNc1nc(c2nc[nH]c2n1)C 27a_100000102301_100000093496 [0,0,0,0,0,0|2,0,2]=4 8 B16R2.6365 CCCCNc1nc(c2nc[nH]c2n1)N 27a_100000102301_100102524922 [0,0,0,0,0,0|2,0,2]=4 9 B16R2.6365 CCCCNc1nc(c2sccc2n1)N 27a_100000102301_100012002325 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.6365 CCCCNc1nc(c2sccc2n1)O 27a_100000102301_100012177178 [0,0,0,0,0,0|3,0,0]=3 11 B16R2.6365 CCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000102301_100020644719 [0,0,0,0,0,0|1,0,2]=3 12 B16R2.6365 CCCCSc1cc(c2[nH]ccc2c1)C 62a_100000210211_100009817142 [0,0,0,0,0,0|4,0,0]=4 13 B16R2.6365 CCCCSc1cc(c2[nH]ccc2c1)F 62a_100000210211_100010138380 [0,0,0,0,0,0|4,0,0]=4 14 B16R2.6365 CCCCSc1cc(c2[nH]ccc2c1)N 62a_100000210211_100009813507 [0,0,0,0,0,0|4,0,0]=4 15 B16R2.6365 CCCCSc1nc(c2c(n1)CCC2)N 62a_100000107085_100000210210 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.6365 CCCCSc1nc(c2c(n1)CCC2)N 62a_100000210211_100000107085 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.6365 CCCCSc1nc(c2cn[nH]c2n1)N 62a_100000210211_100000696086 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.6365 CCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210211_100000093496 [0,0,0,0,0,0|1,0,2]=3 19 B16R2.6365 CCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210210 [0,0,0,0,0,0|3,0,0]=3 20 B16R2.6365 CCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210211_100010207356 [0,0,0,0,0,0|1,0,2]=3 21 B16R2.6365 CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210211_100020644719 [0,0,0,0,0,0|0,0,2]=2 22 B16R2.6365 CCOCSc1nc(c2nc[nH]c2n1)C 62a_100000739092_100000093496 [0,0,0,0,0,0|2,0,2]=4 23 B16R2.6365 CCOCSc1nc(c2sccc2n1)N 62a_100012002325_100000739092 [0,0,0,0,0,0|4,0,0]=4 24 B16R2.6365 CCOCSc1nc-2ncnc2c([nH]1)Cl 62a_100000739092_100010207356 [0,0,0,0,0,0|2,0,2]=4 25 B16R2.6365 CCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000739092_100020644719 [0,0,0,0,0,0|1,0,2]=3 26 B16R2.6365 COCCNc1nc(c2sccc2n1)O 27a_100000209980_100012177178 [0,0,0,0,0,0|4,0,0]=4 27 B16R2.6365 COCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000209980_100020644719 [0,0,0,0,0,0|2,0,2]=4 28 B16R2.6365 COCCSc1nc(c2nc[nH]c2n1)C 62a_100000233755_100000093496 [0,0,0,0,0,0|2,0,2]=4 29 B16R2.6365 COCCSc1nc(c2sccc2n1)N 62a_100012002325_100000233755 [0,0,0,0,0,0|4,0,0]=4 30 B16R2.6365 COCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000233755_100010207356 [0,0,0,0,0,0|2,0,2]=4 31 B16R2.6365 COCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000233755_100020644719 [0,0,0,0,0,0|1,0,2]=3 32 B16R2.6365 CSCCNc1nc(c2sccc2n1)O 27a_100020590264_100012177178 [0,0,0,0,0,0|4,0,0]=4 33 B16R2.6365 CSCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100020590264_100020644719 [0,0,0,0,0,0|2,0,2]=4 34 B16R2.6365 CSCCSc1nc(c2nc[nH]c2n1)C 62a_100000212216_100000093496 [0,0,0,0,0,0|2,0,2]=4 35 B16R2.6365 CSCCSc1nc(c2sccc2n1)N 62a_100012002325_100000751147 [0,0,0,0,0,0|4,0,0]=4 36 B16R2.6365 CSCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000212216_100010207356 [0,0,0,0,0,0|2,0,2]=4 37 B16R2.6365 CSCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000212216_100020644719 [0,0,0,0,0,0|1,0,2]=3 38 B16R2.6365 Cc1nc(nc2c1nc[nH]2)SCCCF 62a_100011934791_100000093496 [0,0,0,0,0,0|2,0,2]=4 39 B16R2.6365 Cc1nc(nc2c1nc[nH]2)SCCCO 62a_100011215043_100000093496 [0,0,0,0,0,0|2,0,2]=4 40 B16R2.6365 FCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100011934791_100010207356 [0,0,0,0,0,0|2,0,2]=4 41 B16R2.6365 N#CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215226_100020644719 [0,0,0,0,0,0|1,0,3]=4 42 B16R2.6365 Nc1nc(nc2c1scc2)SCCCF 62a_100012002325_100011934791 [0,0,0,0,0,0|4,0,0]=4 43 B16R2.6365 Nc1nc(nc2c1scc2)SCCCO 62a_100012002325_100011215043 [0,0,0,0,0,0|4,0,0]=4 44 B16R2.6365 O=c1[nH]c(nc2c1[nH]cn2)NCCCF 27a_100015189416_100020644719 [0,0,0,0,0,0|2,0,2]=4 45 B16R2.6365 O=c1[nH]c(nc2c1[nH]cn2)NCCCO 27a_100000182051_100020644719 [0,0,0,0,0,0|2,0,2]=4 46 B16R2.6365 O=c1[nH]c(nc2c1[nH]cn2)SCCCF 62a_100011934791_100020644719 [0,0,0,0,0,0|1,0,2]=3 47 B16R2.6365 O=c1[nH]c(nc2c1[nH]cn2)SCCCO 62a_100011215043_100020644719 [0,0,0,0,0,0|1,0,2]=3 48 B16R2.6365 OCCCNc1nc(c2sccc2n1)O 27a_100000182051_100012177178 [0,0,0,0,0,0|4,0,0]=4 49 B16R2.6365 OCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100011215043_100010207356 [0,0,0,0,0,0|2,0,2]=4 50 B16R2.6365 Oc1nc(nc2c1scc2)NCCCF 27a_100015189416_100012177178 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.1507 CCCCc1cc2nccn2c(n1)O 271570a_100020621405_100015273213 [1,0,0,0,0,0|3,0,0]=4 52 B15R2.1507 CCCCc1nc(c2sccc2n1)N 271570a_100020621405_100012002325 [1,0,0,0,0,0|3,0,0]=4 53 B15R2.1507 CCCCc1nc2nc[nH]c2c(=O)[nH]1 271570a_100020621405_100009812310 [1,0,0,0,0,0|0,0,2]=3 54 B15R2.1507 CCCSc1nc(c2nc[nH]c2n1)C 62a_100000210303_100000093496 [1,0,0,0,0,0|1,0,2]=4 55 B15R2.1507 CCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210303 [1,0,0,0,0,0|3,0,0]=4 56 B15R2.1507 CCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210303_100010207356 [1,0,0,0,0,0|1,0,2]=4 57 B15R2.1507 CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210303_100020644719 [1,0,0,0,0,0|0,0,2]=3 58 B15R2.1507 COCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000766300_100020644719 [1,0,0,0,0,0|1,0,2]=4 59 B15R2.1507 CSCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011218213_100020644719 [1,0,0,0,0,0|1,0,2]=4 60 B15R2.1507 O=c1[nH]c(nc2c1[nH]cn2)SCCF 62a_100011217306_100020644719 [1,0,0,0,0,0|1,0,2]=4 61 B15R2.1507 O=c1[nH]c(nc2c1[nH]cn2)SCCO 62a_100000211926_100020644719 [1,0,0,0,0,0|1,0,2]=4 62 B15R2.2123 C#CCCSc1cc2nc[nH]c2cn1 62a_100000688953_100000070173 [1,0,0,0,0,0|1,0,2]=4 63 B15R2.2123 C#CCCSc1ncc2[nH]ccc2n1 62a_100000688953_100009831719 [1,0,0,0,0,0|1,0,2]=4 64 B15R2.2123 C/C=C/CSc1cc2nc[nH]c2cn1 62a_100102629194_100000070173 [1,0,0,0,0,0|1,0,2]=4 65 B15R2.2123 C/C=C/CSc1ncc2[nH]ccc2n1 62a_100102629194_100009831719 [1,0,0,0,0,0|1,0,2]=4 66 B15R2.2123 C=CCCSc1cc2nc[nH]c2cn1 62a_100000754431_100000070173 [1,0,0,0,0,0|1,0,2]=4 67 B15R2.2123 C=CCCSc1ncc2[nH]ccc2n1 62a_100000754431_100009831719 [1,0,0,0,0,0|1,0,2]=4 68 B15R2.2123 CC#CCSc1cc2nc[nH]c2cn1 62a_100000748600_100000070173 [1,0,0,0,0,0|1,0,2]=4 69 B15R2.2123 CC#CCSc1ncc2[nH]ccc2n1 62a_100000748600_100009831719 [1,0,0,0,0,0|1,0,2]=4 70 B15R2.2123 CC=CCSc1cc2nc[nH]c2cn1 62a_100000070051_100000070173 [1,0,0,0,0,0|1,0,2]=4 71 B15R2.2123 CC=CCSc1ncc2[nH]ccc2n1 62a_100000070051_100009831719 [1,0,0,0,0,0|1,0,2]=4 72 B15R2.2123 CCCC=Cc1cc2nc[nH]c2cn1 271570a_100016258520_100000070173 [1,0,0,0,0,0|2,0,1]=4 73 B15R2.2123 CCCCNc1ccc2[nH]nnc2n1 27a_100000102301_100000056387 [1,0,0,0,0,0|3,0,0]=4 74 B15R2.2123 CCCCNc1ncc2[nH]ccc2n1 27a_100000102301_100009831719 [1,0,0,0,0,0|2,0,0]=3 75 B15R2.2123 CCCCNc1ncc2[nH]ncc2n1 27a_100000102301_100009843425 [1,0,0,0,0,0|3,0,0]=4 76 B15R2.2123 CCCCNc1ncc2cc[nH]c2n1 27a_100000102301_100000059789 [1,0,0,0,0,0|2,0,1]=4 77 B15R2.2123 CCCCNc1ncc2ccsc2n1 27a_100000102301_100009840870 [1,0,0,0,0,0|3,0,0]=4 78 B15R2.2123 CCCCNc1ncc2nc[nH]c2n1 27a_100000102301_100000009038 [1,0,0,0,0,0|1,0,2]=4 79 B15R2.2123 CCCCNc1ncc2sccc2n1 27a_100000102301_100000117912 [1,0,0,0,0,0|3,0,0]=4 80 B15R2.2123 CCCCSc1cc2[nH]ccc2cn1 62a_100000210211_100000089685 [1,0,0,0,0,0|2,0,1]=4 81 B15R2.2123 CCCCSc1cc2c(cn1)NCC2 62a_100000210211_100009884275 [1,0,0,0,0,0|2,0,1]=4 82 B15R2.2123 CCCCSc1cc2c(cn1)NCC2 62a_100009884275_100000210210 [1,0,0,0,0,0|2,0,1]=4 83 B15R2.2123 CCCCSc1cc2cc[nH]c2cn1 62a_100000210211_100009864809 [1,0,0,0,0,0|2,0,0]=3 84 B15R2.2123 CCCCSc1cc2cc[nH]c2nn1 62a_100000210211_100009855299 [1,0,0,0,0,0|3,0,0]=4 85 B15R2.2123 CCCCSc1cc2cn[nH]c2cn1 62a_100000210211_100000082130 [1,0,0,0,0,0|3,0,0]=4 86 B15R2.2123 CCCCSc1cc2cn[nH]c2cn1 62a_100009820118_100000210210 [1,0,0,0,0,0|3,0,0]=4 87 B15R2.2123 CCCCSc1cc2nc[nH]c2cn1 62a_100000210211_100000070173 [1,0,0,0,0,0|1,0,0]=2 88 B15R2.2123 CCCCSc1cc2nccn2cn1 62a_100000210211_100000052551 [1,0,0,0,0,0|3,0,0]=4 89 B15R2.2123 CCCCSc1cc2ncnn2cn1 62a_100000101099_100000210210 [1,0,0,0,0,0|2,0,1]=4 90 B15R2.2123 CCCCSc1cc2ncnn2cn1 62a_100000210211_100000101099 [1,0,0,0,0,0|2,0,1]=4 91 B15R2.2123 CCCCSc1cc2sccc2cn1 62a_100000210211_200016184645 [1,0,0,0,0,0|3,0,0]=4 92 B15R2.2123 CCCCSc1ccc2[nH]ccc2c1 62a_100000210211_100000035808 [1,0,0,0,0,0|3,0,0]=4 93 B15R2.2123 CCCCSc1ccc2[nH]ccc2n1 62a_100000210211_100000087148 [1,0,0,0,0,0|2,0,0]=3 94 B15R2.2123 CCCCSc1ccc2[nH]cnc2c1 62a_100000210211_100011265325 [1,0,0,0,0,0|2,0,0]=3 95 B15R2.2123 CCCCSc1ccc2[nH]ncc2n1 62a_100000210211_100000082131 [1,0,0,0,0,0|3,0,0]=4 96 B15R2.2123 CCCCSc1ccc2[nH]nnc2n1 62a_100000210211_100000056387 [1,0,0,0,0,0|2,0,0]=3 97 B15R2.2123 CCCCSc1ccc2c(n1)CCN2 62a_100000210211_100009872833 [1,0,0,0,0,0|2,0,1]=4 98 B15R2.2123 CCCCSc1ccc2c(n1)CCN2 62a_100009872833_100000210210 [1,0,0,0,0,0|2,0,1]=4 99 B15R2.2123 CCCCSc1ccc2cc[nH]c2n1 62a_100000210211_100009814870 [1,0,0,0,0,0|2,0,1]=4 100 B15R2.2123 CCCCSc1ccc2nc[nH]c2n1 62a_100000210211_100000077665 [1,0,0,0,0,0|1,0,2]=4 101 B15R2.2123 CCCCSc1ccc2nc[nH]c2n1 62a_100009820032_100000210210 [1,0,0,0,0,0|1,0,2]=4 102 B15R2.2123 CCCCSc1ccc2ncsc2n1 62a_100000210211_100010381354 [1,0,0,0,0,0|2,0,1]=4 103 B15R2.2123 CCCCSc1ccc2ncsc2n1 62a_100010090457_100000210210 [1,0,0,0,0,0|2,0,1]=4 104 B15R2.2123 CCCCSc1ccc2occc2n1 62a_100000210211_100009851292 [1,0,0,0,0,0|3,0,0]=4 105 B15R2.2123 CCCCSc1ccc2ocnc2c1 62a_100000210211_100009816175 [1,0,0,0,0,0|3,0,0]=4 106 B15R2.2123 CCCCSc1ccc2sccc2n1 62a_100000210211_100012000956 [1,0,0,0,0,0|3,0,0]=4 107 B15R2.2123 CCCCSc1ccc2scnc2c1 62a_100000210211_100010005895 [1,0,0,0,0,0|3,0,0]=4 108 B15R2.2123 CCCCSc1ccn2ncnc2n1 62a_100000054300_100000210210 [1,0,0,0,0,0|2,0,1]=4 109 B15R2.2123 CCCCSc1ccn2ncnc2n1 62a_100000210211_100000054300 [1,0,0,0,0,0|2,0,1]=4 110 B15R2.2123 CCCCSc1cn2ncnc2cn1 62a_100000210211_100009847490 [1,0,0,0,0,0|2,0,1]=4 111 B15R2.2123 CCCCSc1cn2ncnc2cn1 62a_100009847490_100000210210 [1,0,0,0,0,0|2,0,1]=4 112 B15R2.2123 CCCCSc1cnc2[nH]ccc2n1 62a_100000210211_100009819590 [1,0,0,0,0,0|3,0,0]=4 113 B15R2.2123 CCCCSc1ncc2[nH]ccc2n1 62a_100000210211_100009831719 [1,0,0,0,0,0|1,0,0]=2 114 B15R2.2123 CCCCSc1ncc2[nH]ncc2n1 62a_100000210211_100009843425 [1,0,0,0,0,0|2,0,0]=3 115 B15R2.2123 CCCCSc1ncc2c(n1)CCC2 62a_100000210211_100009881048 [1,0,0,0,0,0|2,0,1]=4 116 B15R2.2123 CCCCSc1ncc2c(n1)CCC2 62a_100009881048_100000210210 [1,0,0,0,0,0|2,0,1]=4 117 B15R2.2123 CCCCSc1ncc2cc[nH]c2n1 62a_100000210211_100000059789 [1,0,0,0,0,0|1,0,1]=3 118 B15R2.2123 CCCCSc1ncc2ccsc2n1 62a_100000210211_100009840870 [1,0,0,0,0,0|2,0,0]=3 119 B15R2.2123 CCCCSc1ncc2cn[nH]c2n1 62a_100000210211_100000063646 [1,0,0,0,0,0|2,0,1]=4 120 B15R2.2123 CCCCSc1ncc2nc[nH]c2n1 62a_100000210211_100000009038 [1,0,0,0,0,0|0,0,2]=3 121 B15R2.2123 CCCCSc1ncc2sccc2n1 62a_100000210211_100000117912 [1,0,0,0,0,0|2,0,0]=3 122 B15R2.2123 CCOCSc1cc2cc[nH]c2cn1 62a_100000739092_100009864809 [1,0,0,0,0,0|3,0,0]=4 123 B15R2.2123 CCOCSc1cc2nc[nH]c2cn1 62a_100000739092_100000070173 [1,0,0,0,0,0|2,0,0]=3 124 B15R2.2123 CCOCSc1ccc2[nH]ccc2n1 62a_100000739092_100000087148 [1,0,0,0,0,0|3,0,0]=4 125 B15R2.2123 CCOCSc1ccc2[nH]cnc2c1 62a_100000739092_100011265325 [1,0,0,0,0,0|3,0,0]=4 126 B15R2.2123 CCOCSc1ccc2[nH]nnc2n1 62a_100000739092_100000056387 [1,0,0,0,0,0|3,0,0]=4 127 B15R2.2123 CCOCSc1ncc2[nH]ccc2n1 62a_100000739092_100009831719 [1,0,0,0,0,0|2,0,0]=3 128 B15R2.2123 CCOCSc1ncc2[nH]ncc2n1 62a_100000739092_100009843425 [1,0,0,0,0,0|3,0,0]=4 129 B15R2.2123 CCOCSc1ncc2cc[nH]c2n1 62a_100000739092_100000059789 [1,0,0,0,0,0|2,0,1]=4 130 B15R2.2123 CCOCSc1ncc2ccsc2n1 62a_100000739092_100009840870 [1,0,0,0,0,0|3,0,0]=4 131 B15R2.2123 CCOCSc1ncc2nc[nH]c2n1 62a_100000739092_100000009038 [1,0,0,0,0,0|1,0,2]=4 132 B15R2.2123 CCOCSc1ncc2sccc2n1 62a_100000739092_100000117912 [1,0,0,0,0,0|3,0,0]=4 133 B15R2.2123 COCCNc1ncc2[nH]ccc2n1 27a_100000209980_100009831719 [1,0,0,0,0,0|3,0,0]=4 134 B15R2.2123 COCCSc1cc2cc[nH]c2cn1 62a_100000233755_100009864809 [1,0,0,0,0,0|3,0,0]=4 135 B15R2.2123 COCCSc1cc2nc[nH]c2cn1 62a_100000233755_100000070173 [1,0,0,0,0,0|2,0,0]=3 136 B15R2.2123 COCCSc1ccc2[nH]ccc2n1 62a_100000233755_100000087148 [1,0,0,0,0,0|3,0,0]=4 137 B15R2.2123 COCCSc1ccc2[nH]cnc2c1 62a_100000233755_100011265325 [1,0,0,0,0,0|3,0,0]=4 138 B15R2.2123 COCCSc1ccc2[nH]nnc2n1 62a_100000233755_100000056387 [1,0,0,0,0,0|3,0,0]=4 139 B15R2.2123 COCCSc1ncc2[nH]ccc2n1 62a_100000233755_100009831719 [1,0,0,0,0,0|2,0,0]=3 140 B15R2.2123 COCCSc1ncc2[nH]ncc2n1 62a_100000233755_100009843425 [1,0,0,0,0,0|3,0,0]=4 141 B15R2.2123 COCCSc1ncc2cc[nH]c2n1 62a_100000233755_100000059789 [1,0,0,0,0,0|2,0,1]=4 142 B15R2.2123 COCCSc1ncc2ccsc2n1 62a_100000233755_100009840870 [1,0,0,0,0,0|3,0,0]=4 143 B15R2.2123 COCCSc1ncc2nc[nH]c2n1 62a_100000233755_100000009038 [1,0,0,0,0,0|1,0,2]=4 144 B15R2.2123 COCCSc1ncc2sccc2n1 62a_100000233755_100000117912 [1,0,0,0,0,0|3,0,0]=4 145 B15R2.2123 CSCCNc1ncc2[nH]ccc2n1 27a_100020590264_100009831719 [1,0,0,0,0,0|3,0,0]=4 146 B15R2.2123 CSCCSc1cc2cc[nH]c2cn1 62a_100000212216_100009864809 [1,0,0,0,0,0|3,0,0]=4 147 B15R2.2123 CSCCSc1cc2nc[nH]c2cn1 62a_100000212216_100000070173 [1,0,0,0,0,0|2,0,0]=3 148 B15R2.2123 CSCCSc1ccc2[nH]ccc2n1 62a_100000212216_100000087148 [1,0,0,0,0,0|3,0,0]=4 149 B15R2.2123 CSCCSc1ccc2[nH]cnc2c1 62a_100000212216_100011265325 [1,0,0,0,0,0|3,0,0]=4 150 B15R2.2123 CSCCSc1ccc2[nH]nnc2n1 62a_100000212216_100000056387 [1,0,0,0,0,0|3,0,0]=4 151 B15R2.2123 CSCCSc1ncc2[nH]ccc2n1 62a_100000212216_100009831719 [1,0,0,0,0,0|2,0,0]=3 152 B15R2.2123 CSCCSc1ncc2[nH]ncc2n1 62a_100000212216_100009843425 [1,0,0,0,0,0|3,0,0]=4 153 B15R2.2123 CSCCSc1ncc2cc[nH]c2n1 62a_100000212216_100000059789 [1,0,0,0,0,0|2,0,1]=4 154 B15R2.2123 CSCCSc1ncc2ccsc2n1 62a_100000212216_100009840870 [1,0,0,0,0,0|3,0,0]=4 155 B15R2.2123 CSCCSc1ncc2nc[nH]c2n1 62a_100000212216_100000009038 [1,0,0,0,0,0|1,0,2]=4 156 B15R2.2123 CSCCSc1ncc2sccc2n1 62a_100000212216_100000117912 [1,0,0,0,0,0|3,0,0]=4 157 B15R2.2123 FCCCNc1ncc2[nH]ccc2n1 27a_100015189416_100009831719 [1,0,0,0,0,0|3,0,0]=4 158 B15R2.2123 FCCCSc1cc2cc[nH]c2cn1 62a_100011934791_100009864809 [1,0,0,0,0,0|3,0,0]=4 159 B15R2.2123 FCCCSc1cc2nc[nH]c2cn1 62a_100011934791_100000070173 [1,0,0,0,0,0|2,0,0]=3 160 B15R2.2123 FCCCSc1ccc2[nH]ccc2n1 62a_100011934791_100000087148 [1,0,0,0,0,0|3,0,0]=4 161 B15R2.2123 FCCCSc1ccc2[nH]cnc2c1 62a_100011934791_100011265325 [1,0,0,0,0,0|3,0,0]=4 162 B15R2.2123 FCCCSc1ccc2[nH]nnc2n1 62a_100011934791_100000056387 [1,0,0,0,0,0|3,0,0]=4 163 B15R2.2123 FCCCSc1ncc2[nH]ccc2n1 62a_100011934791_100009831719 [1,0,0,0,0,0|2,0,0]=3 164 B15R2.2123 FCCCSc1ncc2[nH]ncc2n1 62a_100011934791_100009843425 [1,0,0,0,0,0|3,0,0]=4 165 B15R2.2123 FCCCSc1ncc2cc[nH]c2n1 62a_100011934791_100000059789 [1,0,0,0,0,0|2,0,1]=4 166 B15R2.2123 FCCCSc1ncc2ccsc2n1 62a_100011934791_100009840870 [1,0,0,0,0,0|3,0,0]=4 167 B15R2.2123 FCCCSc1ncc2nc[nH]c2n1 62a_100011934791_100000009038 [1,0,0,0,0,0|1,0,2]=4 168 B15R2.2123 FCCCSc1ncc2sccc2n1 62a_100011934791_100000117912 [1,0,0,0,0,0|3,0,0]=4 169 B15R2.2123 N#CCCSc1cc2nc[nH]c2cn1 62a_100011215226_100000070173 [1,0,0,0,0,0|2,0,1]=4 170 B15R2.2123 N#CCCSc1ncc2[nH]ccc2n1 62a_100011215226_100009831719 [1,0,0,0,0,0|2,0,1]=4 171 B15R2.2123 OCCCNc1ncc2[nH]ccc2n1 27a_100000182051_100009831719 [1,0,0,0,0,0|3,0,0]=4 172 B15R2.2123 OCCCSc1cc2cc[nH]c2cn1 62a_100011215043_100009864809 [1,0,0,0,0,0|3,0,0]=4 173 B15R2.2123 OCCCSc1cc2nc[nH]c2cn1 62a_100011215043_100000070173 [1,0,0,0,0,0|2,0,0]=3 174 B15R2.2123 OCCCSc1ccc2[nH]ccc2n1 62a_100011215043_100000087148 [1,0,0,0,0,0|3,0,0]=4 175 B15R2.2123 OCCCSc1ccc2[nH]cnc2c1 62a_100011215043_100011265325 [1,0,0,0,0,0|3,0,0]=4 176 B15R2.2123 OCCCSc1ccc2[nH]nnc2n1 62a_100011215043_100000056387 [1,0,0,0,0,0|3,0,0]=4 177 B15R2.2123 OCCCSc1ncc2[nH]ccc2n1 62a_100011215043_100009831719 [1,0,0,0,0,0|2,0,0]=3 178 B15R2.2123 OCCCSc1ncc2[nH]ncc2n1 62a_100011215043_100009843425 [1,0,0,0,0,0|3,0,0]=4 179 B15R2.2123 OCCCSc1ncc2cc[nH]c2n1 62a_100011215043_100000059789 [1,0,0,0,0,0|2,0,1]=4 180 B15R2.2123 OCCCSc1ncc2ccsc2n1 62a_100011215043_100009840870 [1,0,0,0,0,0|3,0,0]=4 181 B15R2.2123 OCCCSc1ncc2nc[nH]c2n1 62a_100011215043_100000009038 [1,0,0,0,0,0|1,0,2]=4 182 B15R2.2123 OCCCSc1ncc2sccc2n1 62a_100011215043_100000117912 [1,0,0,0,0,0|3,0,0]=4 183 B17R2.12097 C#CCCSc1nc(c2[nH]ccc2n1)OC 62a_100000688953_200010292222 [0,1,0,0,0,0|1,0,2]=4 184 B17R2.12097 C#CCCSc1nc(c2[nH]cnc2n1)NC 62a_100000688953_100102591833 [0,1,0,0,0,0|1,0,2]=4 185 B17R2.12097 C/C=C/CSc1nc(c2[nH]ccc2n1)OC 62a_100102629194_200010292222 [0,1,0,0,0,0|1,0,2]=4 186 B17R2.12097 C/C=C/CSc1nc(c2[nH]cnc2n1)NC 62a_100102629194_100102591833 [0,1,0,0,0,0|1,0,2]=4 187 B17R2.12097 C=CCCSc1nc(c2[nH]ccc2n1)OC 62a_100000754431_200010292222 [0,1,0,0,0,0|1,0,2]=4 188 B17R2.12097 C=CCCSc1nc(c2[nH]cnc2n1)NC 62a_100000754431_100102591833 [0,1,0,0,0,0|1,0,2]=4 189 B17R2.12097 CC#CCSc1nc(c2[nH]ccc2n1)OC 62a_100000748600_200010292222 [0,1,0,0,0,0|1,0,2]=4 190 B17R2.12097 CC#CCSc1nc(c2[nH]cnc2n1)NC 62a_100000748600_100102591833 [0,1,0,0,0,0|1,0,2]=4 191 B17R2.12097 CC=CCSc1nc(c2[nH]ccc2n1)OC 62a_100000070051_200010292222 [0,1,0,0,0,0|1,0,2]=4 192 B17R2.12097 CC=CCSc1nc(c2[nH]cnc2n1)NC 62a_100000070051_100102591833 [0,1,0,0,0,0|1,0,2]=4 193 B17R2.12097 CCCCNc1nc(c2sccc2n1)OC 27a_100000102301_200014799438 [0,1,0,0,0,0|3,0,0]=4 194 B17R2.12097 CCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210211_200010292222 [0,1,0,0,0,0|1,0,0]=2 195 B17R2.12097 CCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210211_100102591833 [0,1,0,0,0,0|1,0,0]=2 196 B17R2.12097 CCCCSc1nc(c2cc[nH]c2n1)SC 62a_100000210211_200009951619 [0,1,0,0,0,0|1,1,1]=4 197 B17R2.12097 CCCCSc1nc(c2cn[nH]c2n1)OC 62a_100000210211_200013070299 [0,1,0,0,0,0|2,0,1]=4 198 B17R2.12097 CCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210211_200012279070 [0,1,0,0,0,0|0,0,2]=3 199 B17R2.12097 CCCCSc1nc(c2sccc2n1)OC 62a_100000210211_200014799438 [0,1,0,0,0,0|2,0,0]=3 200 B17R2.12097 CCOCSc1nc(c2[nH]ccc2n1)OC 62a_100000739092_200010292222 [0,1,0,0,0,0|2,0,0]=3 201 B17R2.12097 CCOCSc1nc(c2[nH]cnc2n1)NC 62a_100000739092_100102591833 [0,1,0,0,0,0|2,0,0]=3 202 B17R2.12097 CCOCSc1nc(c2nc[nH]c2n1)OC 62a_100000739092_200012279070 [0,1,0,0,0,0|1,0,2]=4 203 B17R2.12097 CCOCSc1nc(c2sccc2n1)OC 62a_100000739092_200014799438 [0,1,0,0,0,0|3,0,0]=4 204 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCC#N 62a_100011215226_100102591833 [0,1,0,0,0,0|2,0,1]=4 205 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCCF 62a_100011934791_100102591833 [0,1,0,0,0,0|2,0,0]=3 206 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCCO 62a_100011215043_100102591833 [0,1,0,0,0,0|2,0,0]=3 207 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCOC 62a_100000233755_100102591833 [0,1,0,0,0,0|2,0,0]=3 208 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCSC 62a_100000212216_100102591833 [0,1,0,0,0,0|2,0,0]=3 209 B17R2.12097 COCCSc1nc(c2[nH]ccc2n1)OC 62a_100000233755_200010292222 [0,1,0,0,0,0|2,0,0]=3 210 B17R2.12097 COCCSc1nc(c2nc[nH]c2n1)OC 62a_100000233755_200012279070 [0,1,0,0,0,0|1,0,2]=4 211 B17R2.12097 COCCSc1nc(c2sccc2n1)OC 62a_100000233755_200014799438 [0,1,0,0,0,0|3,0,0]=4 212 B17R2.12097 COc1nc(nc2c1[nH]cc2)SCCC#N 62a_100011215226_200010292222 [0,1,0,0,0,0|2,0,1]=4 213 B17R2.12097 COc1nc(nc2c1[nH]cc2)SCCCF 62a_100011934791_200010292222 [0,1,0,0,0,0|2,0,0]=3 214 B17R2.12097 COc1nc(nc2c1[nH]cc2)SCCCO 62a_100011215043_200010292222 [0,1,0,0,0,0|2,0,0]=3 215 B17R2.12097 COc1nc(nc2c1[nH]cc2)SCCSC 62a_100000212216_200010292222 [0,1,0,0,0,0|2,0,0]=3 216 B17R2.12097 COc1nc(nc2c1nc[nH]2)SCCCF 62a_100011934791_200012279070 [0,1,0,0,0,0|1,0,2]=4 217 B17R2.12097 COc1nc(nc2c1nc[nH]2)SCCCO 62a_100011215043_200012279070 [0,1,0,0,0,0|1,0,2]=4 218 B17R2.12097 COc1nc(nc2c1nc[nH]2)SCCSC 62a_100000212216_200012279070 [0,1,0,0,0,0|1,0,2]=4 219 B17R2.12097 COc1nc(nc2c1scc2)SCCCF 62a_100011934791_200014799438 [0,1,0,0,0,0|3,0,0]=4 220 B17R2.12097 COc1nc(nc2c1scc2)SCCCO 62a_100011215043_200014799438 [0,1,0,0,0,0|3,0,0]=4 221 B17R2.12097 COc1nc(nc2c1scc2)SCCSC 62a_100000212216_200014799438 [0,1,0,0,0,0|3,0,0]=4 222 B17R2.19066 C#CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215417_100020644719 [0,1,0,0,0,0|0,0,3]=4 223 B17R2.19066 C=CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011713584_100020644719 [0,1,0,0,0,0|0,0,3]=4 224 B17R2.19066 CC/C=C\CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100103147603_100020644719 [0,1,0,0,0,0|0,0,3]=4 225 B17R2.19066 CCC#CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009813939_100020644719 [0,1,0,0,0,0|0,0,3]=4 226 B17R2.19066 CCCCC=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100016275911_100009812310 [0,1,0,0,0,0|1,0,2]=4 227 B17R2.19066 CCCCCNc1nc(c2sccc2n1)O 27a_100000209983_100012177178 [0,1,0,0,0,0|3,0,0]=4 228 B17R2.19066 CCCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000209983_100020644719 [0,1,0,0,0,0|1,0,2]=4 229 B17R2.19066 CCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210326_100000093496 [0,1,0,0,0,0|1,0,2]=4 230 B17R2.19066 CCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210326 [0,1,0,0,0,0|3,0,0]=4 231 B17R2.19066 CCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210326_100010207356 [0,1,0,0,0,0|1,0,2]=4 232 B17R2.19066 CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210326_100020644719 [0,1,0,0,0,0|0,0,2]=3 233 B17R2.19066 CCCCSCc1nc(c2ccsc2n1)Cl 62a_100000210211_100011619474 [0,1,0,0,0,0|3,0,0]=4 234 B17R2.19066 CCCCSCc1nc(c2ccsc2n1)Cl 62a_100011619474_100000210210 [0,1,0,0,0,0|3,0,0]=4 235 B17R2.19066 CCOCCNc1nc(c2sccc2n1)O 27a_100011200944_100012177178 [0,1,0,0,0,0|3,0,0]=4 236 B17R2.19066 CCOCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100011200944_100020644719 [0,1,0,0,0,0|1,0,2]=4 237 B17R2.19066 CCOCCSc1nc(c2nc[nH]c2n1)C 62a_100000210147_100000093496 [0,1,0,0,0,0|1,0,2]=4 238 B17R2.19066 CCOCCSc1nc(c2sccc2n1)N 62a_100012002325_100011215890 [0,1,0,0,0,0|3,0,0]=4 239 B17R2.19066 CCOCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210147_100010207356 [0,1,0,0,0,0|1,0,2]=4 240 B17R2.19066 CCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210147_100020644719 [0,1,0,0,0,0|0,0,2]=3 241 B17R2.19066 CCSCCNc1nc(c2sccc2n1)O 27a_100000106463_100012177178 [0,1,0,0,0,0|3,0,0]=4 242 B17R2.19066 CCSCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000106463_100020644719 [0,1,0,0,0,0|1,0,2]=4 243 B17R2.19066 CCSCCSc1nc(c2nc[nH]c2n1)C 62a_100000757381_100000093496 [0,1,0,0,0,0|1,0,2]=4 244 B17R2.19066 CCSCCSc1nc(c2sccc2n1)N 62a_100012002325_100000757381 [0,1,0,0,0,0|3,0,0]=4 245 B17R2.19066 CCSCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000757381_100010207356 [0,1,0,0,0,0|1,0,2]=4 246 B17R2.19066 CCSCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000757381_100020644719 [0,1,0,0,0,0|0,0,2]=3 247 B17R2.19066 COCCCNc1nc(c2sccc2n1)O 27a_100150723488_100012177178 [0,1,0,0,0,0|3,0,0]=4 248 B17R2.19066 COCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100150723488_100020644719 [0,1,0,0,0,0|1,0,2]=4 249 B17R2.19066 COCCCSc1nc(c2nc[nH]c2n1)C 62a_100000709357_100000093496 [0,1,0,0,0,0|1,0,2]=4 250 B17R2.19066 COCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000709357 [0,1,0,0,0,0|3,0,0]=4 251 B17R2.19066 COCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000709357_100010207356 [0,1,0,0,0,0|1,0,2]=4 252 B17R2.19066 COCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000709357_100020644719 [0,1,0,0,0,0|0,0,2]=3 253 B17R2.19066 CSCCCNc1nc(c2sccc2n1)O 27a_100000749238_100012177178 [0,1,0,0,0,0|3,0,0]=4 254 B17R2.19066 CSCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000749238_100020644719 [0,1,0,0,0,0|1,0,2]=4 255 B17R2.19066 Cc1nc(nc2c1nc[nH]2)SCCCCF 62a_100000729493_100000093496 [0,1,0,0,0,0|1,0,2]=4 256 B17R2.19066 Cc1nc(nc2c1nc[nH]2)SCCCCO 62a_100000210776_100000093496 [0,1,0,0,0,0|1,0,2]=4 257 B17R2.19066 FCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000729493_100010207356 [0,1,0,0,0,0|1,0,2]=4 258 B17R2.19066 N#CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000687738_100020644719 [0,1,0,0,0,0|0,0,3]=4 259 B17R2.19066 Nc1nc(nc2c1scc2)SCCCCF 62a_100012002325_100000729493 [0,1,0,0,0,0|3,0,0]=4 260 B17R2.19066 Nc1nc(nc2c1scc2)SCCCCO 62a_100012002325_100000210776 [0,1,0,0,0,0|3,0,0]=4 261 B17R2.19066 O=CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_200011292268_100020644719 [0,1,0,0,0,0|0,0,3]=4 262 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)NCCCCO 27a_100000750430_100020644719 [0,1,0,0,0,0|1,0,2]=4 263 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)SCCCCF 62a_100000729493_100020644719 [0,1,0,0,0,0|0,0,2]=3 264 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)SCCCCO 62a_100000210776_100020644719 [0,1,0,0,0,0|0,0,2]=3 265 B17R2.19066 OCCCCNc1nc(c2sccc2n1)O 27a_100000750430_100012177178 [0,1,0,0,0,0|3,0,0]=4 266 B17R2.19066 OCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210776_100010207356 [0,1,0,0,0,0|1,0,2]=4 267 B17R2.40421 C=C(C)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000730704_100020644719 [0,1,0,0,0,0|0,0,3]=4 268 B17R2.40421 CC(=O)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000053229_100020644719 [0,1,0,0,0,0|0,0,3]=4 269 B17R2.40421 CC(C)CCNc1nc(c2sccc2n1)O 27a_100000210545_100012177178 [0,1,0,0,0,0|3,0,0]=4 270 B17R2.40421 CC(C)CCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000210545_100020644719 [0,1,0,0,0,0|1,0,2]=4 271 B17R2.40421 CC(C)CCSc1nc(c2sccc2n1)N 62a_100012002325_100000210312 [0,1,0,0,0,0|3,0,0]=4 272 B17R2.40421 CC(C)CCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210312_100010207356 [0,1,0,0,0,0|1,0,2]=4 273 B17R2.40421 CC(C)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210312_100020644719 [0,1,0,0,0,0|0,0,2]=3 274 B17R2.40421 CC(C)OCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000709892_100020644719 [0,1,0,0,0,0|1,0,2]=4 275 B17R2.40421 CC(O)CCNc1nc(c2sccc2n1)O 27a_200000755665_100012177178 [0,1,0,0,0,0|3,0,0]=4 276 B17R2.40421 CC(O)CCNc1nc2nc[nH]c2c(=O)[nH]1 27a_200000755665_100020644719 [0,1,0,0,0,0|1,0,2]=4 277 B17R2.40421 CC(O)CCSc1nc(c2sccc2n1)N 62a_100012002325_100012276601 [0,1,0,0,0,0|3,0,0]=4 278 B17R2.40421 CC(O)CCSc1nc-2ncnc2c([nH]1)Cl 62a_100012276601_100010207356 [0,1,0,0,0,0|1,0,2]=4 279 B17R2.40421 CC(O)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012276601_100020644719 [0,1,0,0,0,0|0,0,2]=3 280 B17R2.40421 Cc1nc(nc2c1nc[nH]2)SCCC(C)C 62a_100000210312_100000093496 [0,1,0,0,0,0|1,0,2]=4 281 B17R2.40421 Cc1nc(nc2c1nc[nH]2)SCCC(C)O 62a_100012276601_100000093496 [0,1,0,0,0,0|1,0,2]=4 282 B17R2.49559 CC(CCO)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100009893172_100020644719 [0,1,0,0,0,0|1,0,2]=4 283 B17R2.49559 CCCC(C)Nc1nc(c2sccc2n1)O 27a_100000741246_100012177178 [0,1,0,0,0,0|3,0,0]=4 284 B17R2.49559 CCCC(C)Nc1nc2nc[nH]c2c(=O)[nH]1 27a_100000741246_100020644719 [0,1,0,0,0,0|1,0,2]=4 285 B17R2.49559 CCCC(C)Sc1nc(c2nc[nH]c2n1)C 62a_100000766640_100000093496 [0,1,0,0,0,0|1,0,2]=4 286 B17R2.49559 CCCC(C)Sc1nc(c2sccc2n1)N 62a_100012002325_100000766640 [0,1,0,0,0,0|3,0,0]=4 287 B17R2.49559 CCCC(C)Sc1nc-2ncnc2c([nH]1)Cl 62a_100000766640_100010207356 [0,1,0,0,0,0|1,0,2]=4 288 B17R2.49559 CCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100000766640_100020644719 [0,1,0,0,0,0|0,0,2]=3 289 B17R2.49559 COCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100000765312_100020644719 [0,1,0,0,0,0|1,0,2]=4 290 B17R2.57711 CCC(=O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000747405_100020644719 [0,1,0,0,0,0|0,0,3]=4 291 B17R2.57711 CCC(C)CNc1nc(c2sccc2n1)O 27a_100020588543_100012177178 [0,1,0,0,0,0|3,0,0]=4 292 B17R2.57711 CCC(C)CNc1nc2nc[nH]c2c(=O)[nH]1 27a_100020588543_100020644719 [0,1,0,0,0,0|1,0,2]=4 293 B17R2.57711 CCC(C)CSc1nc(c2nc[nH]c2n1)C 62a_100000748023_100000093496 [0,1,0,0,0,0|1,0,2]=4 294 B17R2.57711 CCC(C)CSc1nc(c2sccc2n1)N 62a_100012002325_100000748023 [0,1,0,0,0,0|3,0,0]=4 295 B17R2.57711 CCC(C)CSc1nc-2ncnc2c([nH]1)Cl 62a_100000748023_100010207356 [0,1,0,0,0,0|1,0,2]=4 296 B17R2.57711 CCC(C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000748023_100020644719 [0,1,0,0,0,0|0,0,2]=3 297 B17R2.57711 CCC(O)CNc1nc(c2sccc2n1)O 27a_100011218483_100012177178 [0,1,0,0,0,0|3,0,0]=4 298 B17R2.57711 CCC(O)CNc1nc2nc[nH]c2c(=O)[nH]1 27a_100011218483_100020644719 [0,1,0,0,0,0|1,0,2]=4 299 B17R2.57711 CCC(O)CSc1nc(c2nc[nH]c2n1)C 62a_100011218378_100000093496 [0,1,0,0,0,0|1,0,2]=4 300 B17R2.57711 CCC(O)CSc1nc(c2sccc2n1)N 62a_100012002325_100011218378 [0,1,0,0,0,0|3,0,0]=4 301 B17R2.57711 CCC(O)CSc1nc-2ncnc2c([nH]1)Cl 62a_100011218378_100010207356 [0,1,0,0,0,0|1,0,2]=4 302 B17R2.57711 CCC(O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011218378_100020644719 [0,1,0,0,0,0|0,0,2]=3 303 B17R2.57711 CC[C@H](C)CSc1nc(c2nc[nH]c2n1)C 62a_100009816398_100000093496 [0,1,0,0,0,0|1,0,2]=4 304 B17R2.57711 CC[C@H](C)CSc1nc(c2sccc2n1)N 62a_100012002325_100009816398 [0,1,0,0,0,0|3,0,0]=4 305 B17R2.57711 CC[C@H](C)CSc1nc-2ncnc2c([nH]1)Cl 62a_100009816398_100010207356 [0,1,0,0,0,0|1,0,2]=4 306 B17R2.57711 CC[C@H](C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009816398_100020644719 [0,1,0,0,0,0|0,0,2]=3 307 B17R2.57711 C[C@@H](CO)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000059175_100020644719 [0,1,0,0,0,0|1,0,2]=4 308 B17R2.57711 O=c1[nH]c(nc2c1[nH]cn2)SCC(O)CO 62a_100011219619_100020644719 [0,1,0,0,0,0|1,0,2]=4 309 B17R2.57711 O=c1[nH]c(nc2c1[nH]cn2)SC[C@@H](O)CF 62a_100015614560_100020644719 [0,1,0,0,0,0|1,0,2]=4 310 B17R2.57711 O=c1[nH]c(nc2c1[nH]cn2)SC[C@@H](O)CO 62a_100009815848_100020644719 [0,1,0,0,0,0|1,0,2]=4 311 B17R2.74711 CCCCN(C)c1nc(c2sccc2n1)O 27a_100000207549_100012177178 [0,1,0,0,0,0|3,0,0]=4 312 B17R2.74711 CCCCN(C)c1nc2nc[nH]c2c(=O)[nH]1 27a_100000207549_100020644719 [0,1,0,0,0,0|1,0,2]=4 313 B17R2.103056 CCCCSc1nc2cc[nH]c2c(=O)n1C 62a_100000210211_100150720343 [0,1,0,0,0,0|1,0,2]=4 314 B17R2.982394 C#CCCNc1nc(c2c(n1)ncn2C)O 27a_100000755551_100000005714 [0,1,0,0,0,0|1,0,2]=4 315 B17R2.982394 C#CCCSc1nc(c2c(n1)ncn2C)O 62a_100000688953_100000005714 [0,1,0,0,0,0|0,0,2]=3 316 B17R2.982394 C/C=C/CSc1nc(c2c(n1)ncn2C)O 62a_100102629194_100000005714 [0,1,0,0,0,0|0,0,2]=3 317 B17R2.982394 C=CCCNc1nc(c2c(n1)ncn2C)O 27a_100015191253_100000005714 [0,1,0,0,0,0|1,0,2]=4 318 B17R2.982394 C=CCCSc1nc(c2c(n1)ncn2C)O 62a_100000754431_100000005714 [0,1,0,0,0,0|0,0,2]=3 319 B17R2.982394 CC#CCNc1nc(c2c(n1)ncn2C)O 27a_100000685387_100000005714 [0,1,0,0,0,0|1,0,2]=4 320 B17R2.982394 CC#CCSc1nc(c2c(n1)ncn2C)O 62a_100000748600_100000005714 [0,1,0,0,0,0|0,0,2]=3 321 B17R2.982394 CC=CCSc1nc(c2c(n1)ncn2C)O 62a_100000070051_100000005714 [0,1,0,0,0,0|0,0,2]=3 322 B17R2.982394 CCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016258520_100000005714 [0,1,0,0,0,0|1,0,1]=3 323 B17R2.982394 CCCCNc1nc(c2c(n1)ncn2C)O 27a_100000102301_100000005714 [0,1,0,0,0,0|1,0,0]=2 324 B17R2.982394 CCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210211_100000005714 [0,1,0,0,0,0|0,0,0]=1 325 B17R2.982394 CCOC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016256518_100000005714 [0,1,0,0,0,0|2,0,1]=4 326 B17R2.982394 CCOCSc1nc(c2c(n1)ncn2C)O 62a_100000739092_100000005714 [0,1,0,0,0,0|1,0,0]=2 327 B17R2.982394 COCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016286323_100000005714 [0,1,0,0,0,0|2,0,1]=4 328 B17R2.982394 COCCNc1nc(c2c(n1)ncn2C)O 27a_100000209980_100000005714 [0,1,0,0,0,0|2,0,0]=3 329 B17R2.982394 COCCSc1nc(c2c(n1)ncn2C)O 62a_100000233755_100000005714 [0,1,0,0,0,0|1,0,0]=2 330 B17R2.982394 CSCCNc1nc(c2c(n1)ncn2C)O 27a_100020590264_100000005714 [0,1,0,0,0,0|2,0,0]=3 331 B17R2.982394 CSCCSc1nc(c2c(n1)ncn2C)O 62a_100000212216_100000005714 [0,1,0,0,0,0|1,0,0]=2 332 B17R2.982394 Cn1cnc2c1c(nc(n2)NCCC#N)O 27a_100000720768_100000005714 [0,1,0,0,0,0|2,0,1]=4 333 B17R2.982394 Cn1cnc2c1c(nc(n2)NCCCF)O 27a_100015189416_100000005714 [0,1,0,0,0,0|2,0,0]=3 334 B17R2.982394 Cn1cnc2c1c(nc(n2)NCCCO)O 27a_100000182051_100000005714 [0,1,0,0,0,0|2,0,0]=3 335 B17R2.982394 Cn1cnc2c1c(nc(n2)SCCC#N)O 62a_100011215226_100000005714 [0,1,0,0,0,0|1,0,1]=3 336 B17R2.982394 Cn1cnc2c1c(nc(n2)SCCCF)O 62a_100011934791_100000005714 [0,1,0,0,0,0|1,0,0]=2 337 B17R2.982394 Cn1cnc2c1c(nc(n2)SCCCO)O 62a_100011215043_100000005714 [0,1,0,0,0,0|1,0,0]=2 338 B17R2.982394 Cn1cnc2c1c(nc(n2)SCSC#N)O 62a_100000211825_100000005714 [0,1,0,0,0,0|2,0,1]=4 339 B17R3.4919 O=c1[nH]c(nc2c1[nH]cn2)N3CCCC3 27a_100000188435_100020644719 [0,0,0,1,0,0|1,0,2]=4 340 B17R3.4919 Oc1nc(nc2c1scc2)N3CCCC3 27a_100000188435_100012177178 [0,0,0,1,0,0|3,0,0]=4 341 B17R3.5262 CC1CCN1c2nc(c3sccc3n2)O 27a_100000755817_100012177178 [0,0,0,1,0,0|3,0,0]=4 342 B17R3.5262 CC1CCN1c2nc3nc[nH]c3c(=O)[nH]2 27a_100000755817_100020644719 [0,0,0,1,0,0|1,0,2]=4 343 B17R3.57555 Nc1nc(nc2c1scc2)SC3CCC3 62a_100012002325_100000749161 [0,0,0,1,0,0|3,0,0]=4 344 B17R3.57555 O=c1[nH]c(nc2c1[nH]cn2)NC3CCC3 27a_100000749019_100020644719 [0,0,0,1,0,0|1,0,2]=4 345 B17R3.57555 Oc1nc(nc2c1scc2)NC3CCC3 27a_100000749019_100012177178 [0,0,0,1,0,0|3,0,0]=4 346 B17R3.57556 Cc1nc(nc2c1nc[nH]2)SCC3CC3 62a_100000756562_100000093496 [0,0,0,1,0,0|1,0,2]=4 347 B17R3.57556 Clc1[nH]c(nc-2ncnc12)SCC3CC3 62a_100000756562_100010207356 [0,0,0,1,0,0|1,0,2]=4 348 B17R3.57556 Nc1nc(nc2c1scc2)SCC3CC3 62a_100012002325_100000742324 [0,0,0,1,0,0|3,0,0]=4 349 B17R3.57556 O=c1[nH]c(nc2c1[nH]cn2)NCC3CC3 27a_100000735609_100020644719 [0,0,0,1,0,0|1,0,2]=4 350 B17R3.57556 O=c1[nH]c(nc2c1[nH]cn2)SCC3CC3 62a_100000756562_100020644719 [0,0,0,1,0,0|0,0,2]=3 351 B17R3.57556 O=c1[nH]c(nc2c1[nH]cn2)SCC3CO3 62a_102125554688_100020644719 [0,0,0,1,0,0|1,0,2]=4 352 B17R3.57556 O=c1[nH]c(nc2c1[nH]cn2)SCC3CS3 62a_100000031435_100020644719 [0,0,0,1,0,0|1,0,2]=4 353 B17R3.57556 O=c1[nH]c(nc2c1[nH]cn2)SC[C@@H]3CO3 62a_100000745022_100020644719 [0,0,0,1,0,0|1,0,2]=4 354 B17R3.57556 Oc1nc(nc2c1scc2)NCC3CC3 27a_100000735609_100012177178 [0,0,0,1,0,0|3,0,0]=4 355 B17R2.12072 CCCCNc1nc(c2ccccc2n1)O 27a_100000102301_100000187174 [0,0,0,0,0,1|3,0,0]=4 356 B17R2.12072 CCCCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210210 [0,0,0,0,0,1|3,0,0]=4 357 B17R2.12072 CCCCSc1nc(c2ccccc2n1)C 62a_100000210211_100000046098 [0,0,0,0,0,1|3,0,0]=4 358 B17R2.12072 CCCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210210 [0,0,0,0,0,1|3,0,0]=4 359 B17R2.12072 CCCCSc1nc(c2ccccc2n1)O 62a_100000210211_100000187174 [0,0,0,0,0,1|2,0,0]=3 360 B17R2.12072 CCOCSc1nc(c2ccccc2n1)O 62a_100000739092_100000187174 [0,0,0,0,0,1|3,0,0]=4 361 B17R2.12072 COCCSc1nc(c2ccccc2n1)O 62a_100000233755_100000187174 [0,0,0,0,0,1|3,0,0]=4 362 B17R2.12072 CSCCSc1nc(c2ccccc2n1)O 62a_100000212216_100000187174 [0,0,0,0,0,1|3,0,0]=4 363 B17R2.12072 OCCCSc1nc(c2ccccc2n1)O 62a_100011215043_100000187174 [0,0,0,0,0,1|3,0,0]=4 364 B17R2.12072 Oc1nc(nc2c1cccc2)SCCCF 62a_100011934791_100000187174 [0,0,0,0,0,1|3,0,0]=4 365 B14R1.909 CCCCSc1ncc(c(n1)N)C=O 62a_100000210211_100010726233 [1,0,1,0,0,0|2,0,0]=4 366 B14R1.909 CCCCSc1ncc(c(n1)N)C=O 62a_100010726233_100000210210 [1,0,1,0,0,0|2,0,0]=4 367 B14R1.61 CCCCSc1nc(c(c(n1)N)N)C 62a_100000210211_100011218874 [1,0,1,0,0,0|1,0,1]=4 368 B14R1.61 CCCCSc1nc(c(c(n1)N)N)C 62a_100011218874_100000210210 [1,0,1,0,0,0|1,0,1]=4 369 B14R1.907 CCCCSc1ncc(c(n1)OC)N 62a_100000210211_100012122185 [1,0,1,0,0,0|1,0,1]=4 370 B14R1.907 CCCCSc1ncc(c(n1)OC)N 62a_100012122185_100000210210 [1,0,1,0,0,0|1,0,1]=4 371 B14R2.587 CCCc1nc(c2nc[nH]c2n1)O 271570a_203496583355_106358413580 [2,0,0,0,0,0|0,0,2]=4 372 B14R2.587 CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210202_100020644719 [2,0,0,0,0,0|0,0,2]=4 373 B14R2.991 CCCCc1cc2cc[nH]c2cn1 271570a_100020621405_100009864809 [2,0,0,0,0,0|2,0,0]=4 374 B14R2.991 CCCCc1cc2nc[nH]c2cn1 271570a_100020621405_100000070173 [2,0,0,0,0,0|1,0,0]=3 375 B14R2.991 CCCCc1ccc2[nH]ccc2n1 271570a_100020621405_100000087148 [2,0,0,0,0,0|2,0,0]=4 376 B14R2.991 CCCCc1ccc2[nH]cnc2c1 271570a_100020621405_100011265325 [2,0,0,0,0,0|2,0,0]=4 377 B14R2.991 CCCCc1ncc2[nH]ncc2n1 271570a_100020621405_100009843425 [2,0,0,0,0,0|2,0,0]=4 378 B14R2.991 CCCCc1ncc2ccsc2n1 271570a_100020621405_100009840870 [2,0,0,0,0,0|2,0,0]=4 379 B14R2.991 CCCCc1ncc2sccc2n1 271570a_100020621405_100000117912 [2,0,0,0,0,0|2,0,0]=4 380 B14R2.991 CCCSc1cc2cc[nH]c2cn1 62a_100000210303_100009864809 [2,0,0,0,0,0|2,0,0]=4 381 B14R2.991 CCCSc1cc2nc[nH]c2cn1 62a_100000210303_100000070173 [2,0,0,0,0,0|1,0,0]=3 382 B14R2.991 CCCSc1ccc2[nH]ccc2n1 62a_100000210303_100000087148 [2,0,0,0,0,0|2,0,0]=4 383 B14R2.991 CCCSc1ccc2[nH]cnc2c1 62a_100000210303_100011265325 [2,0,0,0,0,0|2,0,0]=4 384 B14R2.991 CCCSc1ccc2[nH]nnc2n1 62a_100000210303_100000056387 [2,0,0,0,0,0|2,0,0]=4 385 B14R2.991 CCCSc1ncc2[nH]ccc2n1 62a_100000210303_100009831719 [2,0,0,0,0,0|1,0,0]=3 386 B14R2.991 CCCSc1ncc2[nH]ncc2n1 62a_100000210303_100009843425 [2,0,0,0,0,0|2,0,0]=4 387 B14R2.991 CCCSc1ncc2cc[nH]c2n1 62a_100000210303_100000059789 [2,0,0,0,0,0|1,0,1]=4 388 B14R2.991 CCCSc1ncc2ccsc2n1 62a_100000210303_100009840870 [2,0,0,0,0,0|2,0,0]=4 389 B14R2.991 CCCSc1ncc2nc[nH]c2n1 62a_100000210303_100000009038 [2,0,0,0,0,0|0,0,2]=4 390 B14R2.991 CCCSc1ncc2sccc2n1 62a_100000210303_100000117912 [2,0,0,0,0,0|2,0,0]=4 391 B14R2.991 COCSc1cc2nc[nH]c2cn1 62a_100000766300_100000070173 [2,0,0,0,0,0|2,0,0]=4 392 B14R2.991 COCSc1ncc2[nH]ccc2n1 62a_100000766300_100009831719 [2,0,0,0,0,0|2,0,0]=4 393 B14R2.991 CSCSc1cc2nc[nH]c2cn1 62a_100011218213_100000070173 [2,0,0,0,0,0|2,0,0]=4 394 B14R2.991 CSCSc1ncc2[nH]ccc2n1 62a_100011218213_100009831719 [2,0,0,0,0,0|2,0,0]=4 395 B14R2.991 FCCSc1cc2nc[nH]c2cn1 62a_100011217306_100000070173 [2,0,0,0,0,0|2,0,0]=4 396 B14R2.991 FCCSc1ncc2[nH]ccc2n1 62a_100011217306_100009831719 [2,0,0,0,0,0|2,0,0]=4 397 B14R2.991 OCCSc1cc2nc[nH]c2cn1 62a_100000211926_100000070173 [2,0,0,0,0,0|2,0,0]=4 398 B14R2.991 OCCSc1ncc2[nH]ccc2n1 62a_100000211926_100009831719 [2,0,0,0,0,0|2,0,0]=4 399 B16R1.4987 CCCCSc1nc(c(c(n1)OC)N)OC 62a_100000095612_100000210210 [0,1,1,0,0,0|1,0,1]=4 400 B16R1.4987 CCCCSc1nc(c(c(n1)OC)N)OC 62a_100000210211_100000095612 [0,1,1,0,0,0|1,0,1]=4 401 B16R2.12177 CCCCc1nc(c2sccc2n1)OC 271570a_100020621405_200014799438 [1,1,0,0,0,0|2,0,0]=4 402 B16R2.12177 CCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210303_200010292222 [1,1,0,0,0,0|1,0,0]=3 403 B16R2.12177 CCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210303_100102591833 [1,1,0,0,0,0|1,0,0]=3 404 B16R2.12177 CCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210303_200012279070 [1,1,0,0,0,0|0,0,2]=4 405 B16R2.12177 CCCSc1nc(c2sccc2n1)OC 62a_100000210303_200014799438 [1,1,0,0,0,0|2,0,0]=4 406 B16R2.12177 CNc1nc(nc2c1[nH]cn2)SCCF 62a_100011217306_100102591833 [1,1,0,0,0,0|2,0,0]=4 407 B16R2.12177 CNc1nc(nc2c1[nH]cn2)SCCO 62a_100000211926_100102591833 [1,1,0,0,0,0|2,0,0]=4 408 B16R2.12177 CNc1nc(nc2c1[nH]cn2)SCOC 62a_100000766300_100102591833 [1,1,0,0,0,0|2,0,0]=4 409 B16R2.12177 CNc1nc(nc2c1[nH]cn2)SCSC 62a_100011218213_100102591833 [1,1,0,0,0,0|2,0,0]=4 410 B16R2.12177 COCSc1nc(c2[nH]ccc2n1)OC 62a_100000766300_200010292222 [1,1,0,0,0,0|2,0,0]=4 411 B16R2.12177 COc1nc(nc2c1[nH]cc2)SCCF 62a_100011217306_200010292222 [1,1,0,0,0,0|2,0,0]=4 412 B16R2.12177 COc1nc(nc2c1[nH]cc2)SCCO 62a_100000211926_200010292222 [1,1,0,0,0,0|2,0,0]=4 413 B16R2.12177 COc1nc(nc2c1[nH]cc2)SCSC 62a_100011218213_200010292222 [1,1,0,0,0,0|2,0,0]=4 414 B16R2.24931 CC(C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210624_100020644719 [1,1,0,0,0,0|0,0,2]=4 415 B16R2.24931 CC(O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011218427_100020644719 [1,1,0,0,0,0|0,0,2]=4 416 B16R2.24931 C[C@@H](O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009817552_100020644719 [1,1,0,0,0,0|0,0,2]=4 417 B16R2.33060 CCCCc1cc(c2[nH]c(nc2c1)N)O 271570a_100020621405_100015644475 [1,1,0,0,0,0|2,0,0]=4 418 B16R2.33586 CCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100000758301_100020644719 [1,1,0,0,0,0|0,0,2]=4 419 B16R2.165576 C#CCSc1nc(c2c(n1)ncn2C)O 62a_100000038162_100000005714 [1,1,0,0,0,0|0,0,2]=4 420 B16R2.165576 C=CCSc1nc(c2c(n1)ncn2C)O 62a_100000210623_100000005714 [1,1,0,0,0,0|0,0,2]=4 421 B16R2.165576 CCCCc1nc(c2c(n1)ncn2C)O 271570a_100020621405_100000005714 [1,1,0,0,0,0|0,0,0]=2 422 B16R2.165576 CCCSc1nc(c2c(n1)ncn2C)O 62a_100000210303_100000005714 [1,1,0,0,0,0|0,0,0]=2 423 B16R2.165576 COCSc1nc(c2c(n1)ncn2C)O 62a_100000766300_100000005714 [1,1,0,0,0,0|1,0,0]=3 424 B16R2.165576 CSCSc1nc(c2c(n1)ncn2C)O 62a_100011218213_100000005714 [1,1,0,0,0,0|1,0,0]=3 425 B16R2.165576 Cn1cnc2c1c(nc(n2)NCCO)O 27a_100000210304_100000005714 [1,1,0,0,0,0|2,0,0]=4 426 B16R2.165576 Cn1cnc2c1c(nc(n2)SCC#N)O 62a_100011215382_100000005714 [1,1,0,0,0,0|1,0,1]=4 427 B16R2.165576 Cn1cnc2c1c(nc(n2)SCC=O)O 62a_200015260668_100000005714 [1,1,0,0,0,0|1,0,1]=4 428 B16R2.165576 Cn1cnc2c1c(nc(n2)SCCF)O 62a_100011217306_100000005714 [1,1,0,0,0,0|1,0,0]=3 429 B16R2.165576 Cn1cnc2c1c(nc(n2)SCCO)O 62a_100000211926_100000005714 [1,1,0,0,0,0|1,0,0]=3 430 B16R2.1357 CCC(=O)CSc1cc2nc[nH]c2cn1 62a_100000747405_100000070173 [1,1,0,0,0,0|1,0,1]=4 431 B16R2.1357 CCC(=O)CSc1ncc2[nH]ccc2n1 62a_100000747405_100009831719 [1,1,0,0,0,0|1,0,1]=4 432 B16R2.1357 CCC(C)CNc1ncc2[nH]ccc2n1 27a_100020588543_100009831719 [1,1,0,0,0,0|2,0,0]=4 433 B16R2.1357 CCC(C)CSc1cc2cc[nH]c2cn1 62a_100000748023_100009864809 [1,1,0,0,0,0|2,0,0]=4 434 B16R2.1357 CCC(C)CSc1cc2nc[nH]c2cn1 62a_100000748023_100000070173 [1,1,0,0,0,0|1,0,0]=3 435 B16R2.1357 CCC(C)CSc1ccc2[nH]ccc2n1 62a_100000748023_100000087148 [1,1,0,0,0,0|2,0,0]=4 436 B16R2.1357 CCC(C)CSc1ccc2[nH]cnc2c1 62a_100000748023_100011265325 [1,1,0,0,0,0|2,0,0]=4 437 B16R2.1357 CCC(C)CSc1ccc2[nH]nnc2n1 62a_100000748023_100000056387 [1,1,0,0,0,0|2,0,0]=4 438 B16R2.1357 CCC(C)CSc1ncc2[nH]ccc2n1 62a_100000748023_100009831719 [1,1,0,0,0,0|1,0,0]=3 439 B16R2.1357 CCC(C)CSc1ncc2[nH]ncc2n1 62a_100000748023_100009843425 [1,1,0,0,0,0|2,0,0]=4 440 B16R2.1357 CCC(C)CSc1ncc2cc[nH]c2n1 62a_100000748023_100000059789 [1,1,0,0,0,0|1,0,1]=4 441 B16R2.1357 CCC(C)CSc1ncc2ccsc2n1 62a_100000748023_100009840870 [1,1,0,0,0,0|2,0,0]=4 442 B16R2.1357 CCC(C)CSc1ncc2nc[nH]c2n1 62a_100000748023_100000009038 [1,1,0,0,0,0|0,0,2]=4 443 B16R2.1357 CCC(C)CSc1ncc2sccc2n1 62a_100000748023_100000117912 [1,1,0,0,0,0|2,0,0]=4 444 B16R2.1357 CCC(O)CNc1ncc2[nH]ccc2n1 27a_100011218483_100009831719 [1,1,0,0,0,0|2,0,0]=4 445 B16R2.1357 CCC(O)CSc1cc2cc[nH]c2cn1 62a_100011218378_100009864809 [1,1,0,0,0,0|2,0,0]=4 446 B16R2.1357 CCC(O)CSc1cc2nc[nH]c2cn1 62a_100011218378_100000070173 [1,1,0,0,0,0|1,0,0]=3 447 B16R2.1357 CCC(O)CSc1ccc2[nH]ccc2n1 62a_100011218378_100000087148 [1,1,0,0,0,0|2,0,0]=4 448 B16R2.1357 CCC(O)CSc1ccc2[nH]cnc2c1 62a_100011218378_100011265325 [1,1,0,0,0,0|2,0,0]=4 449 B16R2.1357 CCC(O)CSc1ccc2[nH]nnc2n1 62a_100011218378_100000056387 [1,1,0,0,0,0|2,0,0]=4 450 B16R2.1357 CCC(O)CSc1ncc2[nH]ccc2n1 62a_100011218378_100009831719 [1,1,0,0,0,0|1,0,0]=3 451 B16R2.1357 CCC(O)CSc1ncc2[nH]ncc2n1 62a_100011218378_100009843425 [1,1,0,0,0,0|2,0,0]=4 452 B16R2.1357 CCC(O)CSc1ncc2cc[nH]c2n1 62a_100011218378_100000059789 [1,1,0,0,0,0|1,0,1]=4 453 B16R2.1357 CCC(O)CSc1ncc2ccsc2n1 62a_100011218378_100009840870 [1,1,0,0,0,0|2,0,0]=4 454 B16R2.1357 CCC(O)CSc1ncc2nc[nH]c2n1 62a_100011218378_100000009038 [1,1,0,0,0,0|0,0,2]=4 455 B16R2.1357 CCC(O)CSc1ncc2sccc2n1 62a_100011218378_100000117912 [1,1,0,0,0,0|2,0,0]=4 456 B16R2.1357 CC[C@H](C)CSc1cc2cc[nH]c2cn1 62a_100009816398_100009864809 [1,1,0,0,0,0|2,0,0]=4 457 B16R2.1357 CC[C@H](C)CSc1cc2nc[nH]c2cn1 62a_100009816398_100000070173 [1,1,0,0,0,0|1,0,0]=3 458 B16R2.1357 CC[C@H](C)CSc1ccc2[nH]ccc2n1 62a_100009816398_100000087148 [1,1,0,0,0,0|2,0,0]=4 459 B16R2.1357 CC[C@H](C)CSc1ccc2[nH]cnc2c1 62a_100009816398_100011265325 [1,1,0,0,0,0|2,0,0]=4 460 B16R2.1357 CC[C@H](C)CSc1ccc2[nH]nnc2n1 62a_100009816398_100000056387 [1,1,0,0,0,0|2,0,0]=4 461 B16R2.1357 CC[C@H](C)CSc1ncc2[nH]ccc2n1 62a_100009816398_100009831719 [1,1,0,0,0,0|1,0,0]=3 462 B16R2.1357 CC[C@H](C)CSc1ncc2[nH]ncc2n1 62a_100009816398_100009843425 [1,1,0,0,0,0|2,0,0]=4 463 B16R2.1357 CC[C@H](C)CSc1ncc2cc[nH]c2n1 62a_100009816398_100000059789 [1,1,0,0,0,0|1,0,1]=4 464 B16R2.1357 CC[C@H](C)CSc1ncc2ccsc2n1 62a_100009816398_100009840870 [1,1,0,0,0,0|2,0,0]=4 465 B16R2.1357 CC[C@H](C)CSc1ncc2nc[nH]c2n1 62a_100009816398_100000009038 [1,1,0,0,0,0|0,0,2]=4 466 B16R2.1357 CC[C@H](C)CSc1ncc2sccc2n1 62a_100009816398_100000117912 [1,1,0,0,0,0|2,0,0]=4 467 B16R2.1357 C[C@@H](CO)CSc1cc2nc[nH]c2cn1 62a_100000059175_100000070173 [1,1,0,0,0,0|2,0,0]=4 468 B16R2.1357 C[C@@H](CO)CSc1ncc2[nH]ccc2n1 62a_100000059175_100009831719 [1,1,0,0,0,0|2,0,0]=4 469 B16R2.1357 OCC(O)CSc1cc2nc[nH]c2cn1 62a_100011219619_100000070173 [1,1,0,0,0,0|2,0,0]=4 470 B16R2.1357 OCC(O)CSc1ncc2[nH]ccc2n1 62a_100011219619_100009831719 [1,1,0,0,0,0|2,0,0]=4 471 B16R2.1357 OC[C@H](O)CSc1cc2nc[nH]c2cn1 62a_100009815848_100000070173 [1,1,0,0,0,0|2,0,0]=4 472 B16R2.1357 OC[C@H](O)CSc1ncc2[nH]ccc2n1 62a_100009815848_100009831719 [1,1,0,0,0,0|2,0,0]=4 473 B16R2.1357 O[C@@H](CF)CSc1cc2nc[nH]c2cn1 62a_100015614560_100000070173 [1,1,0,0,0,0|2,0,0]=4 474 B16R2.1357 O[C@@H](CF)CSc1ncc2[nH]ccc2n1 62a_100015614560_100009831719 [1,1,0,0,0,0|2,0,0]=4 475 B16R2.2089 CCCCSc1ccc2[nH]cnc2c1C 62a_100000210211_100010009745 [1,1,0,0,0,0|2,0,0]=4 476 B16R2.2122 CCCCN(C)c1ncc2[nH]ccc2n1 27a_100000207549_100009831719 [1,1,0,0,0,0|2,0,0]=4 477 B16R2.2151 CC(CCO)Sc1cc2nc[nH]c2cn1 62a_100009893172_100000070173 [1,1,0,0,0,0|2,0,0]=4 478 B16R2.2151 CC(CCO)Sc1ncc2[nH]ccc2n1 62a_100009893172_100009831719 [1,1,0,0,0,0|2,0,0]=4 479 B16R2.2151 CCCC(C)Nc1ncc2[nH]ccc2n1 27a_100000741246_100009831719 [1,1,0,0,0,0|2,0,0]=4 480 B16R2.2151 CCCC(C)Sc1cc2cc[nH]c2cn1 62a_100000766640_100009864809 [1,1,0,0,0,0|2,0,0]=4 481 B16R2.2151 CCCC(C)Sc1cc2nc[nH]c2cn1 62a_100000766640_100000070173 [1,1,0,0,0,0|1,0,0]=3 482 B16R2.2151 CCCC(C)Sc1ccc2[nH]ccc2n1 62a_100000766640_100000087148 [1,1,0,0,0,0|2,0,0]=4 483 B16R2.2151 CCCC(C)Sc1ccc2[nH]cnc2c1 62a_100000766640_100011265325 [1,1,0,0,0,0|2,0,0]=4 484 B16R2.2151 CCCC(C)Sc1ccc2[nH]nnc2n1 62a_100000766640_100000056387 [1,1,0,0,0,0|2,0,0]=4 485 B16R2.2151 CCCC(C)Sc1ncc2[nH]ccc2n1 62a_100000766640_100009831719 [1,1,0,0,0,0|1,0,0]=3 486 B16R2.2151 CCCC(C)Sc1ncc2[nH]ncc2n1 62a_100000766640_100009843425 [1,1,0,0,0,0|2,0,0]=4 487 B16R2.2151 CCCC(C)Sc1ncc2cc[nH]c2n1 62a_100000766640_100000059789 [1,1,0,0,0,0|1,0,1]=4 488 B16R2.2151 CCCC(C)Sc1ncc2ccsc2n1 62a_100000766640_100009840870 [1,1,0,0,0,0|2,0,0]=4 489 B16R2.2151 CCCC(C)Sc1ncc2nc[nH]c2n1 62a_100000766640_100000009038 [1,1,0,0,0,0|0,0,2]=4 490 B16R2.2151 CCCC(C)Sc1ncc2sccc2n1 62a_100000766640_100000117912 [1,1,0,0,0,0|2,0,0]=4 491 B16R2.2151 COCC(C)Sc1cc2nc[nH]c2cn1 62a_100000765312_100000070173 [1,1,0,0,0,0|2,0,0]=4 492 B16R2.2151 COCC(C)Sc1ncc2[nH]ccc2n1 62a_100000765312_100009831719 [1,1,0,0,0,0|2,0,0]=4 493 B16R2.3136 C#CCCCSc1cc2nc[nH]c2cn1 62a_100011215417_100000070173 [1,1,0,0,0,0|1,0,1]=4 494 B16R2.3136 C#CCCCSc1ncc2[nH]ccc2n1 62a_100011215417_100009831719 [1,1,0,0,0,0|1,0,1]=4 495 B16R2.3136 C=CCCCSc1cc2nc[nH]c2cn1 62a_100011713584_100000070173 [1,1,0,0,0,0|1,0,1]=4 496 B16R2.3136 C=CCCCSc1ncc2[nH]ccc2n1 62a_100011713584_100009831719 [1,1,0,0,0,0|1,0,1]=4 497 B16R2.3136 CC/C=C\CSc1cc2nc[nH]c2cn1 62a_100103147603_100000070173 [1,1,0,0,0,0|1,0,1]=4 498 B16R2.3136 CC/C=C\CSc1ncc2[nH]ccc2n1 62a_100103147603_100009831719 [1,1,0,0,0,0|1,0,1]=4 499 B16R2.3136 CCC#CCSc1cc2nc[nH]c2cn1 62a_100009813939_100000070173 [1,1,0,0,0,0|1,0,1]=4 500 B16R2.3136 CCC#CCSc1ncc2[nH]ccc2n1 62a_100009813939_100009831719 [1,1,0,0,0,0|1,0,1]=4 501 B16R2.3136 CCCCC=Cc1cc2nc[nH]c2cn1 271570a_100016275911_100000070173 [1,1,0,0,0,0|2,0,0]=4 502 B16R2.3136 CCCCCNc1ncc2[nH]ccc2n1 27a_100000209983_100009831719 [1,1,0,0,0,0|2,0,0]=4 503 B16R2.3136 CCCCCSc1cc2cc[nH]c2cn1 62a_100000210326_100009864809 [1,1,0,0,0,0|2,0,0]=4 504 B16R2.3136 CCCCCSc1cc2nc[nH]c2cn1 62a_100000210326_100000070173 [1,1,0,0,0,0|1,0,0]=3 505 B16R2.3136 CCCCCSc1ccc2[nH]ccc2n1 62a_100000210326_100000087148 [1,1,0,0,0,0|2,0,0]=4 506 B16R2.3136 CCCCCSc1ccc2[nH]cnc2c1 62a_100000210326_100011265325 [1,1,0,0,0,0|2,0,0]=4 507 B16R2.3136 CCCCCSc1ccc2[nH]nnc2n1 62a_100000210326_100000056387 [1,1,0,0,0,0|2,0,0]=4 508 B16R2.3136 CCCCCSc1ncc2[nH]ccc2n1 62a_100000210326_100009831719 [1,1,0,0,0,0|1,0,0]=3 509 B16R2.3136 CCCCCSc1ncc2[nH]ncc2n1 62a_100000210326_100009843425 [1,1,0,0,0,0|2,0,0]=4 510 B16R2.3136 CCCCCSc1ncc2cc[nH]c2n1 62a_100000210326_100000059789 [1,1,0,0,0,0|1,0,1]=4 511 B16R2.3136 CCCCCSc1ncc2ccsc2n1 62a_100000210326_100009840870 [1,1,0,0,0,0|2,0,0]=4 512 B16R2.3136 CCCCCSc1ncc2nc[nH]c2n1 62a_100000210326_100000009038 [1,1,0,0,0,0|0,0,2]=4 513 B16R2.3136 CCCCCSc1ncc2sccc2n1 62a_100000210326_100000117912 [1,1,0,0,0,0|2,0,0]=4 514 B16R2.3136 CCOCCNc1ncc2[nH]ccc2n1 27a_100011200944_100009831719 [1,1,0,0,0,0|2,0,0]=4 515 B16R2.3136 CCOCCSc1cc2cc[nH]c2cn1 62a_100000210147_100009864809 [1,1,0,0,0,0|2,0,0]=4 516 B16R2.3136 CCOCCSc1cc2nc[nH]c2cn1 62a_100000210147_100000070173 [1,1,0,0,0,0|1,0,0]=3 517 B16R2.3136 CCOCCSc1ccc2[nH]ccc2n1 62a_100000210147_100000087148 [1,1,0,0,0,0|2,0,0]=4 518 B16R2.3136 CCOCCSc1ccc2[nH]cnc2c1 62a_100000210147_100011265325 [1,1,0,0,0,0|2,0,0]=4 519 B16R2.3136 CCOCCSc1ccc2[nH]nnc2n1 62a_100000210147_100000056387 [1,1,0,0,0,0|2,0,0]=4 520 B16R2.3136 CCOCCSc1ncc2[nH]ccc2n1 62a_100000210147_100009831719 [1,1,0,0,0,0|1,0,0]=3 521 B16R2.3136 CCOCCSc1ncc2[nH]ncc2n1 62a_100000210147_100009843425 [1,1,0,0,0,0|2,0,0]=4 522 B16R2.3136 CCOCCSc1ncc2cc[nH]c2n1 62a_100000210147_100000059789 [1,1,0,0,0,0|1,0,1]=4 523 B16R2.3136 CCOCCSc1ncc2ccsc2n1 62a_100000210147_100009840870 [1,1,0,0,0,0|2,0,0]=4 524 B16R2.3136 CCOCCSc1ncc2nc[nH]c2n1 62a_100000210147_100000009038 [1,1,0,0,0,0|0,0,2]=4 525 B16R2.3136 CCOCCSc1ncc2sccc2n1 62a_100000210147_100000117912 [1,1,0,0,0,0|2,0,0]=4 526 B16R2.3136 CCSCCNc1ncc2[nH]ccc2n1 27a_100000106463_100009831719 [1,1,0,0,0,0|2,0,0]=4 527 B16R2.3136 CCSCCSc1cc2cc[nH]c2cn1 62a_100000757381_100009864809 [1,1,0,0,0,0|2,0,0]=4 528 B16R2.3136 CCSCCSc1cc2nc[nH]c2cn1 62a_100000757381_100000070173 [1,1,0,0,0,0|1,0,0]=3 529 B16R2.3136 CCSCCSc1ccc2[nH]ccc2n1 62a_100000757381_100000087148 [1,1,0,0,0,0|2,0,0]=4 530 B16R2.3136 CCSCCSc1ccc2[nH]cnc2c1 62a_100000757381_100011265325 [1,1,0,0,0,0|2,0,0]=4 531 B16R2.3136 CCSCCSc1ccc2[nH]nnc2n1 62a_100000757381_100000056387 [1,1,0,0,0,0|2,0,0]=4 532 B16R2.3136 CCSCCSc1ncc2[nH]ccc2n1 62a_100000757381_100009831719 [1,1,0,0,0,0|1,0,0]=3 533 B16R2.3136 CCSCCSc1ncc2[nH]ncc2n1 62a_100000757381_100009843425 [1,1,0,0,0,0|2,0,0]=4 534 B16R2.3136 CCSCCSc1ncc2cc[nH]c2n1 62a_100000757381_100000059789 [1,1,0,0,0,0|1,0,1]=4 535 B16R2.3136 CCSCCSc1ncc2ccsc2n1 62a_100000757381_100009840870 [1,1,0,0,0,0|2,0,0]=4 536 B16R2.3136 CCSCCSc1ncc2nc[nH]c2n1 62a_100000757381_100000009038 [1,1,0,0,0,0|0,0,2]=4 537 B16R2.3136 CCSCCSc1ncc2sccc2n1 62a_100000757381_100000117912 [1,1,0,0,0,0|2,0,0]=4 538 B16R2.3136 COCCCNc1ncc2[nH]ccc2n1 27a_100150723488_100009831719 [1,1,0,0,0,0|2,0,0]=4 539 B16R2.3136 COCCCSc1cc2cc[nH]c2cn1 62a_100000709357_100009864809 [1,1,0,0,0,0|2,0,0]=4 540 B16R2.3136 COCCCSc1cc2nc[nH]c2cn1 62a_100000709357_100000070173 [1,1,0,0,0,0|1,0,0]=3 541 B16R2.3136 COCCCSc1ccc2[nH]ccc2n1 62a_100000709357_100000087148 [1,1,0,0,0,0|2,0,0]=4 542 B16R2.3136 COCCCSc1ccc2[nH]cnc2c1 62a_100000709357_100011265325 [1,1,0,0,0,0|2,0,0]=4 543 B16R2.3136 COCCCSc1ccc2[nH]nnc2n1 62a_100000709357_100000056387 [1,1,0,0,0,0|2,0,0]=4 544 B16R2.3136 COCCCSc1ncc2[nH]ccc2n1 62a_100000709357_100009831719 [1,1,0,0,0,0|1,0,0]=3 545 B16R2.3136 COCCCSc1ncc2[nH]ncc2n1 62a_100000709357_100009843425 [1,1,0,0,0,0|2,0,0]=4 546 B16R2.3136 COCCCSc1ncc2cc[nH]c2n1 62a_100000709357_100000059789 [1,1,0,0,0,0|1,0,1]=4 547 B16R2.3136 COCCCSc1ncc2ccsc2n1 62a_100000709357_100009840870 [1,1,0,0,0,0|2,0,0]=4 548 B16R2.3136 COCCCSc1ncc2nc[nH]c2n1 62a_100000709357_100000009038 [1,1,0,0,0,0|0,0,2]=4 549 B16R2.3136 COCCCSc1ncc2sccc2n1 62a_100000709357_100000117912 [1,1,0,0,0,0|2,0,0]=4 550 B16R2.3136 CSCCCNc1ncc2[nH]ccc2n1 27a_100000749238_100009831719 [1,1,0,0,0,0|2,0,0]=4 551 B16R2.3136 FCCCCSc1cc2cc[nH]c2cn1 62a_100000729493_100009864809 [1,1,0,0,0,0|2,0,0]=4 552 B16R2.3136 FCCCCSc1cc2nc[nH]c2cn1 62a_100000729493_100000070173 [1,1,0,0,0,0|1,0,0]=3 553 B16R2.3136 FCCCCSc1ccc2[nH]ccc2n1 62a_100000729493_100000087148 [1,1,0,0,0,0|2,0,0]=4 554 B16R2.3136 FCCCCSc1ccc2[nH]cnc2c1 62a_100000729493_100011265325 [1,1,0,0,0,0|2,0,0]=4 555 B16R2.3136 FCCCCSc1ccc2[nH]nnc2n1 62a_100000729493_100000056387 [1,1,0,0,0,0|2,0,0]=4 556 B16R2.3136 FCCCCSc1ncc2[nH]ccc2n1 62a_100000729493_100009831719 [1,1,0,0,0,0|1,0,0]=3 557 B16R2.3136 FCCCCSc1ncc2[nH]ncc2n1 62a_100000729493_100009843425 [1,1,0,0,0,0|2,0,0]=4 558 B16R2.3136 FCCCCSc1ncc2cc[nH]c2n1 62a_100000729493_100000059789 [1,1,0,0,0,0|1,0,1]=4 559 B16R2.3136 FCCCCSc1ncc2ccsc2n1 62a_100000729493_100009840870 [1,1,0,0,0,0|2,0,0]=4 560 B16R2.3136 FCCCCSc1ncc2nc[nH]c2n1 62a_100000729493_100000009038 [1,1,0,0,0,0|0,0,2]=4 561 B16R2.3136 FCCCCSc1ncc2sccc2n1 62a_100000729493_100000117912 [1,1,0,0,0,0|2,0,0]=4 562 B16R2.3136 N#CCCCSc1cc2nc[nH]c2cn1 62a_100000687738_100000070173 [1,1,0,0,0,0|1,0,1]=4 563 B16R2.3136 N#CCCCSc1ncc2[nH]ccc2n1 62a_100000687738_100009831719 [1,1,0,0,0,0|1,0,1]=4 564 B16R2.3136 O=CCCCSc1cc2nc[nH]c2cn1 62a_200011292268_100000070173 [1,1,0,0,0,0|1,0,1]=4 565 B16R2.3136 O=CCCCSc1ncc2[nH]ccc2n1 62a_200011292268_100009831719 [1,1,0,0,0,0|1,0,1]=4 566 B16R2.3136 OCCCCNc1ncc2[nH]ccc2n1 27a_100000750430_100009831719 [1,1,0,0,0,0|2,0,0]=4 567 B16R2.3136 OCCCCSc1cc2cc[nH]c2cn1 62a_100000210776_100009864809 [1,1,0,0,0,0|2,0,0]=4 568 B16R2.3136 OCCCCSc1cc2nc[nH]c2cn1 62a_100000210776_100000070173 [1,1,0,0,0,0|1,0,0]=3 569 B16R2.3136 OCCCCSc1ccc2[nH]ccc2n1 62a_100000210776_100000087148 [1,1,0,0,0,0|2,0,0]=4 570 B16R2.3136 OCCCCSc1ccc2[nH]cnc2c1 62a_100000210776_100011265325 [1,1,0,0,0,0|2,0,0]=4 571 B16R2.3136 OCCCCSc1ccc2[nH]nnc2n1 62a_100000210776_100000056387 [1,1,0,0,0,0|2,0,0]=4 572 B16R2.3136 OCCCCSc1ncc2[nH]ccc2n1 62a_100000210776_100009831719 [1,1,0,0,0,0|1,0,0]=3 573 B16R2.3136 OCCCCSc1ncc2[nH]ncc2n1 62a_100000210776_100009843425 [1,1,0,0,0,0|2,0,0]=4 574 B16R2.3136 OCCCCSc1ncc2cc[nH]c2n1 62a_100000210776_100000059789 [1,1,0,0,0,0|1,0,1]=4 575 B16R2.3136 OCCCCSc1ncc2ccsc2n1 62a_100000210776_100009840870 [1,1,0,0,0,0|2,0,0]=4 576 B16R2.3136 OCCCCSc1ncc2nc[nH]c2n1 62a_100000210776_100000009038 [1,1,0,0,0,0|0,0,2]=4 577 B16R2.3136 OCCCCSc1ncc2sccc2n1 62a_100000210776_100000117912 [1,1,0,0,0,0|2,0,0]=4 578 B16R2.4322 CCCCSc1cc2c(cn1)NC(=O)C2 62a_100000210211_100000104063 [1,1,0,0,0,0|2,0,0]=4 579 B16R2.4322 CCCCSc1cc2nc(sc2cn1)N 62a_100000210211_100009884557 [1,1,0,0,0,0|2,0,0]=4 580 B16R2.4322 CCCCSc1cc2nc(sc2cn1)N 62a_100009884557_100000210210 [1,1,0,0,0,0|2,0,0]=4 581 B16R2.4322 CCCCSc1ccc2[nH]c(nc2c1)C 62a_100000210211_100011264012 [1,1,0,0,0,0|2,0,0]=4 582 B16R2.4322 CCCCSc1ccc2c(n1)CC(=O)N2 62a_100000210211_100000087150 [1,1,0,0,0,0|2,0,0]=4 583 B16R2.4322 CCCCSc1ncc2c(n1)NC(=O)C2 62a_100000210211_100000086852 [1,1,0,0,0,0|1,0,1]=4 584 B16R2.27160 C=C(C)CCSc1cc2nc[nH]c2cn1 62a_100000730704_100000070173 [1,1,0,0,0,0|1,0,1]=4 585 B16R2.27160 C=C(C)CCSc1ncc2[nH]ccc2n1 62a_100000730704_100009831719 [1,1,0,0,0,0|1,0,1]=4 586 B16R2.27160 CC(=O)CCSc1cc2nc[nH]c2cn1 62a_100000053229_100000070173 [1,1,0,0,0,0|1,0,1]=4 587 B16R2.27160 CC(=O)CCSc1ncc2[nH]ccc2n1 62a_100000053229_100009831719 [1,1,0,0,0,0|1,0,1]=4 588 B16R2.27160 CC(C)CCNc1ncc2[nH]ccc2n1 27a_100000210545_100009831719 [1,1,0,0,0,0|2,0,0]=4 589 B16R2.27160 CC(C)CCSc1cc2cc[nH]c2cn1 62a_100000210312_100009864809 [1,1,0,0,0,0|2,0,0]=4 590 B16R2.27160 CC(C)CCSc1cc2nc[nH]c2cn1 62a_100000210312_100000070173 [1,1,0,0,0,0|1,0,0]=3 591 B16R2.27160 CC(C)CCSc1ccc2[nH]ccc2n1 62a_100000210312_100000087148 [1,1,0,0,0,0|2,0,0]=4 592 B16R2.27160 CC(C)CCSc1ccc2[nH]cnc2c1 62a_100000210312_100011265325 [1,1,0,0,0,0|2,0,0]=4 593 B16R2.27160 CC(C)CCSc1ccc2[nH]nnc2n1 62a_100000210312_100000056387 [1,1,0,0,0,0|2,0,0]=4 594 B16R2.27160 CC(C)CCSc1ncc2[nH]ccc2n1 62a_100000210312_100009831719 [1,1,0,0,0,0|1,0,0]=3 595 B16R2.27160 CC(C)CCSc1ncc2[nH]ncc2n1 62a_100000210312_100009843425 [1,1,0,0,0,0|2,0,0]=4 596 B16R2.27160 CC(C)CCSc1ncc2cc[nH]c2n1 62a_100000210312_100000059789 [1,1,0,0,0,0|1,0,1]=4 597 B16R2.27160 CC(C)CCSc1ncc2ccsc2n1 62a_100000210312_100009840870 [1,1,0,0,0,0|2,0,0]=4 598 B16R2.27160 CC(C)CCSc1ncc2nc[nH]c2n1 62a_100000210312_100000009038 [1,1,0,0,0,0|0,0,2]=4 599 B16R2.27160 CC(C)CCSc1ncc2sccc2n1 62a_100000210312_100000117912 [1,1,0,0,0,0|2,0,0]=4 600 B16R2.27160 CC(C)OCSc1cc2nc[nH]c2cn1 62a_100000709892_100000070173 [1,1,0,0,0,0|2,0,0]=4 601 B16R2.27160 CC(C)OCSc1ncc2[nH]ccc2n1 62a_100000709892_100009831719 [1,1,0,0,0,0|2,0,0]=4 602 B16R2.27160 CC(O)CCNc1ncc2[nH]ccc2n1 27a_200000755665_100009831719 [1,1,0,0,0,0|2,0,0]=4 603 B16R2.27160 CC(O)CCSc1cc2cc[nH]c2cn1 62a_100012276601_100009864809 [1,1,0,0,0,0|2,0,0]=4 604 B16R2.27160 CC(O)CCSc1cc2nc[nH]c2cn1 62a_100012276601_100000070173 [1,1,0,0,0,0|1,0,0]=3 605 B16R2.27160 CC(O)CCSc1ccc2[nH]ccc2n1 62a_100012276601_100000087148 [1,1,0,0,0,0|2,0,0]=4 606 B16R2.27160 CC(O)CCSc1ccc2[nH]cnc2c1 62a_100012276601_100011265325 [1,1,0,0,0,0|2,0,0]=4 607 B16R2.27160 CC(O)CCSc1ccc2[nH]nnc2n1 62a_100012276601_100000056387 [1,1,0,0,0,0|2,0,0]=4 608 B16R2.27160 CC(O)CCSc1ncc2[nH]ccc2n1 62a_100012276601_100009831719 [1,1,0,0,0,0|1,0,0]=3 609 B16R2.27160 CC(O)CCSc1ncc2[nH]ncc2n1 62a_100012276601_100009843425 [1,1,0,0,0,0|2,0,0]=4 610 B16R2.27160 CC(O)CCSc1ncc2cc[nH]c2n1 62a_100012276601_100000059789 [1,1,0,0,0,0|1,0,1]=4 611 B16R2.27160 CC(O)CCSc1ncc2ccsc2n1 62a_100012276601_100009840870 [1,1,0,0,0,0|2,0,0]=4 612 B16R2.27160 CC(O)CCSc1ncc2nc[nH]c2n1 62a_100012276601_100000009038 [1,1,0,0,0,0|0,0,2]=4 613 B16R2.27160 CC(O)CCSc1ncc2sccc2n1 62a_100012276601_100000117912 [1,1,0,0,0,0|2,0,0]=4 614 B16R2.27834 CCCCSc1cc2nc[nH]c2cc1F 62a_100000210211_100012361300 [1,1,0,0,0,0|2,0,0]=4 615 B16R2.27834 CCCCSc1cc2nc[nH]c2cc1F 62a_100012361300_100000210210 [1,1,0,0,0,0|2,0,0]=4 616 B16R2.27834 CCCCSc1cc2nc[nH]c2cc1N 62a_100000210211_200010336578 [1,1,0,0,0,0|2,0,0]=4 617 B16R2.27834 CCCCSc1cc2nc[nH]c2cc1N 62a_200010336578_100000210210 [1,1,0,0,0,0|2,0,0]=4 618 B16R2.27892 CCCCSc1ncc2ccn(c2n1)C 62a_100000210211_100009859872 [1,1,0,0,0,0|1,0,1]=4 619 B16R2.27892 CCCCSc1ncc2ncn(c2n1)C 62a_100000210211_100000085903 [1,1,0,0,0,0|0,0,2]=4 620 B16R2.205486 CCCCNc1ccc2c(n1)ncn2C 27a_100000102301_100010385288 [1,1,0,0,0,0|2,0,0]=4 621 B16R2.205486 CCCCNc1ncc2c(n1)ccn2C 27a_100000102301_100010385126 [1,1,0,0,0,0|2,0,0]=4 622 B16R2.205486 CCCCSc1cc2ncn(c2cn1)C 62a_100000210211_200010979150 [1,1,0,0,0,0|1,0,0]=3 623 B16R2.205486 CCCCSc1ccc2c(c1)ncn2C 62a_100000210211_100000718706 [1,1,0,0,0,0|2,0,0]=4 624 B16R2.205486 CCCCSc1ccc2c(n1)ncn2C 62a_100000210211_100010385288 [1,1,0,0,0,0|1,0,0]=3 625 B16R2.205486 CCCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000210210 [1,1,0,0,0,0|1,0,0]=3 626 B16R2.205486 CCCCSc1ncc2c(n1)ccn2C 62a_100000210211_100010385126 [1,1,0,0,0,0|1,0,0]=3 627 B16R2.205486 CCOCSc1cc2ncn(c2cn1)C 62a_100000739092_200010979150 [1,1,0,0,0,0|2,0,0]=4 628 B16R2.205486 CCOCSc1ccc2c(n1)ncn2C 62a_100000739092_100010385288 [1,1,0,0,0,0|2,0,0]=4 629 B16R2.205486 CCOCSc1ccc2c(n1)ncn2C 62a_100010385288_100000739092 [1,1,0,0,0,0|2,0,0]=4 630 B16R2.205486 CCOCSc1ncc2c(n1)ccn2C 62a_100000739092_100010385126 [1,1,0,0,0,0|2,0,0]=4 631 B16R2.205486 COCCSc1cc2ncn(c2cn1)C 62a_100000233755_200010979150 [1,1,0,0,0,0|2,0,0]=4 632 B16R2.205486 COCCSc1ccc2c(n1)ncn2C 62a_100000233755_100010385288 [1,1,0,0,0,0|2,0,0]=4 633 B16R2.205486 COCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000233755 [1,1,0,0,0,0|2,0,0]=4 634 B16R2.205486 COCCSc1ncc2c(n1)ccn2C 62a_100000233755_100010385126 [1,1,0,0,0,0|2,0,0]=4 635 B16R2.205486 CSCCSc1cc2ncn(c2cn1)C 62a_100000212216_200010979150 [1,1,0,0,0,0|2,0,0]=4 636 B16R2.205486 CSCCSc1ccc2c(n1)ncn2C 62a_100000212216_100010385288 [1,1,0,0,0,0|2,0,0]=4 637 B16R2.205486 CSCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000751147 [1,1,0,0,0,0|2,0,0]=4 638 B16R2.205486 CSCCSc1ncc2c(n1)ccn2C 62a_100000212216_100010385126 [1,1,0,0,0,0|2,0,0]=4 639 B16R2.205486 Cn1ccc2c1cnc(n2)SCCCF 62a_100011934791_100010385126 [1,1,0,0,0,0|2,0,0]=4 640 B16R2.205486 Cn1ccc2c1cnc(n2)SCCCO 62a_100011215043_100010385126 [1,1,0,0,0,0|2,0,0]=4 641 B16R2.205486 Cn1cnc2c1ccc(n2)SCCCF 62a_100010385288_100011934791 [1,1,0,0,0,0|2,0,0]=4 642 B16R2.205486 Cn1cnc2c1ccc(n2)SCCCF 62a_100011934791_100010385288 [1,1,0,0,0,0|2,0,0]=4 643 B16R2.205486 Cn1cnc2c1ccc(n2)SCCCO 62a_100010385288_100011215043 [1,1,0,0,0,0|2,0,0]=4 644 B16R2.205486 Cn1cnc2c1ccc(n2)SCCCO 62a_100011215043_100010385288 [1,1,0,0,0,0|2,0,0]=4 645 B16R2.205486 Cn1cnc2c1cnc(c2)SCCCF 62a_100011934791_200010979150 [1,1,0,0,0,0|2,0,0]=4 646 B16R2.205486 Cn1cnc2c1cnc(c2)SCCCO 62a_100011215043_200010979150 [1,1,0,0,0,0|2,0,0]=4 647 B18R2.10151 CCC(C)CSc1nc(c2ccccc2n1)O 62a_100000748023_100000187174 [0,1,0,0,0,1|2,0,0]=4 648 B18R2.10151 CCC(O)CSc1nc(c2ccccc2n1)O 62a_100011218378_100000187174 [0,1,0,0,0,1|2,0,0]=4 649 B18R2.10151 CC[C@H](C)CSc1nc(c2ccccc2n1)O 62a_100009816398_100000187174 [0,1,0,0,0,1|2,0,0]=4 650 B18R2.13407 CCCCSc1nc(c2ccccc2n1)OC 62a_100000210211_100000215967 [0,1,0,0,0,1|2,0,0]=4 651 B18R2.63530 CC(C)CCSc1nc(c2ccccc2n1)O 62a_100000210312_100000187174 [0,1,0,0,0,1|2,0,0]=4 652 B18R2.63530 CC(O)CCSc1nc(c2ccccc2n1)O 62a_100012276601_100000187174 [0,1,0,0,0,1|2,0,0]=4 653 B18R2.75286 CCCCCSc1nc(c2ccccc2n1)O 62a_100000210326_100000187174 [0,1,0,0,0,1|2,0,0]=4 654 B18R2.75286 CCOCCSc1nc(c2ccccc2n1)O 62a_100000210147_100000187174 [0,1,0,0,0,1|2,0,0]=4 655 B18R2.75286 CCSCCSc1nc(c2ccccc2n1)O 62a_100000757381_100000187174 [0,1,0,0,0,1|2,0,0]=4 656 B18R2.75286 COCCCSc1nc(c2ccccc2n1)O 62a_100000709357_100000187174 [0,1,0,0,0,1|2,0,0]=4 657 B18R2.75286 OCCCCSc1nc(c2ccccc2n1)O 62a_100000210776_100000187174 [0,1,0,0,0,1|2,0,0]=4 658 B18R2.75286 Oc1nc(nc2c1cccc2)SCCCCF 62a_100000729493_100000187174 [0,1,0,0,0,1|2,0,0]=4 659 B18R2.124731 CCCC(C)Sc1nc(c2ccccc2n1)O 62a_100000766640_100000187174 [0,1,0,0,0,1|2,0,0]=4 660 B18R2.18495 CCCCSc1nc(c2sccc2n1)OCC 62a_100000210211_100012350542 [0,2,0,0,0,0|2,0,0]=4 661 B18R2.75311 C#CCCCSc1nc(c2[nH]ccc2n1)OC 62a_100011215417_200010292222 [0,2,0,0,0,0|1,0,1]=4 662 B18R2.75311 C#CCCCSc1nc(c2[nH]cnc2n1)NC 62a_100011215417_100102591833 [0,2,0,0,0,0|1,0,1]=4 663 B18R2.75311 C=CCCCSc1nc(c2[nH]ccc2n1)OC 62a_100011713584_200010292222 [0,2,0,0,0,0|1,0,1]=4 664 B18R2.75311 C=CCCCSc1nc(c2[nH]cnc2n1)NC 62a_100011713584_100102591833 [0,2,0,0,0,0|1,0,1]=4 665 B18R2.75311 CC/C=C\CSc1nc(c2[nH]ccc2n1)OC 62a_100103147603_200010292222 [0,2,0,0,0,0|1,0,1]=4 666 B18R2.75311 CC/C=C\CSc1nc(c2[nH]cnc2n1)NC 62a_100103147603_100102591833 [0,2,0,0,0,0|1,0,1]=4 667 B18R2.75311 CCC#CCSc1nc(c2[nH]ccc2n1)OC 62a_100009813939_200010292222 [0,2,0,0,0,0|1,0,1]=4 668 B18R2.75311 CCC#CCSc1nc(c2[nH]cnc2n1)NC 62a_100009813939_100102591833 [0,2,0,0,0,0|1,0,1]=4 669 B18R2.75311 CCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210326_200010292222 [0,2,0,0,0,0|1,0,0]=3 670 B18R2.75311 CCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210326_100102591833 [0,2,0,0,0,0|1,0,0]=3 671 B18R2.75311 CCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210326_200012279070 [0,2,0,0,0,0|0,0,2]=4 672 B18R2.75311 CCCCCSc1nc(c2sccc2n1)OC 62a_100000210326_200014799438 [0,2,0,0,0,0|2,0,0]=4 673 B18R2.75311 CCOCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210147_200010292222 [0,2,0,0,0,0|1,0,0]=3 674 B18R2.75311 CCOCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210147_100102591833 [0,2,0,0,0,0|1,0,0]=3 675 B18R2.75311 CCOCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210147_200012279070 [0,2,0,0,0,0|0,0,2]=4 676 B18R2.75311 CCOCCSc1nc(c2sccc2n1)OC 62a_100000210147_200014799438 [0,2,0,0,0,0|2,0,0]=4 677 B18R2.75311 CCSCCSc1nc(c2[nH]ccc2n1)OC 62a_100000757381_200010292222 [0,2,0,0,0,0|1,0,0]=3 678 B18R2.75311 CCSCCSc1nc(c2[nH]cnc2n1)NC 62a_100000757381_100102591833 [0,2,0,0,0,0|1,0,0]=3 679 B18R2.75311 CCSCCSc1nc(c2nc[nH]c2n1)OC 62a_100000757381_200012279070 [0,2,0,0,0,0|0,0,2]=4 680 B18R2.75311 CCSCCSc1nc(c2sccc2n1)OC 62a_100000757381_200014799438 [0,2,0,0,0,0|2,0,0]=4 681 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCC#N 62a_100000687738_100102591833 [0,2,0,0,0,0|1,0,1]=4 682 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCC=O 62a_200011292268_100102591833 [0,2,0,0,0,0|1,0,1]=4 683 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCCF 62a_100000729493_100102591833 [0,2,0,0,0,0|1,0,0]=3 684 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCCO 62a_100000210776_100102591833 [0,2,0,0,0,0|1,0,0]=3 685 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCOC 62a_100000709357_100102591833 [0,2,0,0,0,0|1,0,0]=3 686 B18R2.75311 COCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000709357_200010292222 [0,2,0,0,0,0|1,0,0]=3 687 B18R2.75311 COCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000709357_200012279070 [0,2,0,0,0,0|0,0,2]=4 688 B18R2.75311 COCCCSc1nc(c2sccc2n1)OC 62a_100000709357_200014799438 [0,2,0,0,0,0|2,0,0]=4 689 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCC#N 62a_100000687738_200010292222 [0,2,0,0,0,0|1,0,1]=4 690 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCC=O 62a_200011292268_200010292222 [0,2,0,0,0,0|1,0,1]=4 691 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCCF 62a_100000729493_200010292222 [0,2,0,0,0,0|1,0,0]=3 692 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCCO 62a_100000210776_200010292222 [0,2,0,0,0,0|1,0,0]=3 693 B18R2.75311 COc1nc(nc2c1nc[nH]2)SCCCCF 62a_100000729493_200012279070 [0,2,0,0,0,0|0,0,2]=4 694 B18R2.75311 COc1nc(nc2c1nc[nH]2)SCCCCO 62a_100000210776_200012279070 [0,2,0,0,0,0|0,0,2]=4 695 B18R2.75311 COc1nc(nc2c1scc2)SCCCCF 62a_100000729493_200014799438 [0,2,0,0,0,0|2,0,0]=4 696 B18R2.75311 COc1nc(nc2c1scc2)SCCCCO 62a_100000210776_200014799438 [0,2,0,0,0,0|2,0,0]=4 697 B18R2.113907 C=C(C)CCSc1nc(c2[nH]ccc2n1)OC 62a_100000730704_200010292222 [0,2,0,0,0,0|1,0,1]=4 698 B18R2.113907 C=C(C)CCSc1nc(c2[nH]cnc2n1)NC 62a_100000730704_100102591833 [0,2,0,0,0,0|1,0,1]=4 699 B18R2.113907 CNc1nc(nc2c1[nH]cn2)SCCC(=O)C 62a_100000053229_100102591833 [0,2,0,0,0,0|1,0,1]=4 700 B18R2.113907 CNc1nc(nc2c1[nH]cn2)SCCC(C)C 62a_100000210312_100102591833 [0,2,0,0,0,0|1,0,0]=3 701 B18R2.113907 CNc1nc(nc2c1[nH]cn2)SCCC(C)O 62a_100012276601_100102591833 [0,2,0,0,0,0|1,0,0]=3 702 B18R2.113907 CNc1nc(nc2c1[nH]cn2)SCOC(C)C 62a_100000709892_100102591833 [0,2,0,0,0,0|2,0,0]=4 703 B18R2.113907 COc1nc(nc2c1[nH]cc2)SCCC(=O)C 62a_100000053229_200010292222 [0,2,0,0,0,0|1,0,1]=4 704 B18R2.113907 COc1nc(nc2c1[nH]cc2)SCCC(C)C 62a_100000210312_200010292222 [0,2,0,0,0,0|1,0,0]=3 705 B18R2.113907 COc1nc(nc2c1[nH]cc2)SCCC(C)O 62a_100012276601_200010292222 [0,2,0,0,0,0|1,0,0]=3 706 B18R2.113907 COc1nc(nc2c1[nH]cc2)SCOC(C)C 62a_100000709892_200010292222 [0,2,0,0,0,0|2,0,0]=4 707 B18R2.113907 COc1nc(nc2c1nc[nH]2)SCCC(C)C 62a_100000210312_200012279070 [0,2,0,0,0,0|0,0,2]=4 708 B18R2.113907 COc1nc(nc2c1nc[nH]2)SCCC(C)O 62a_100012276601_200012279070 [0,2,0,0,0,0|0,0,2]=4 709 B18R2.113907 COc1nc(nc2c1scc2)SCCC(C)C 62a_100000210312_200014799438 [0,2,0,0,0,0|2,0,0]=4 710 B18R2.113907 COc1nc(nc2c1scc2)SCCC(C)O 62a_100012276601_200014799438 [0,2,0,0,0,0|2,0,0]=4 711 B18R2.113908 CCC(=O)CSc1nc(c2[nH]ccc2n1)OC 62a_100000747405_200010292222 [0,2,0,0,0,0|1,0,1]=4 712 B18R2.113908 CCC(=O)CSc1nc(c2[nH]cnc2n1)NC 62a_100000747405_100102591833 [0,2,0,0,0,0|1,0,1]=4 713 B18R2.113908 CCC(C)CSc1nc(c2[nH]ccc2n1)OC 62a_100000748023_200010292222 [0,2,0,0,0,0|1,0,0]=3 714 B18R2.113908 CCC(C)CSc1nc(c2[nH]cnc2n1)NC 62a_100000748023_100102591833 [0,2,0,0,0,0|1,0,0]=3 715 B18R2.113908 CCC(C)CSc1nc(c2nc[nH]c2n1)OC 62a_100000748023_200012279070 [0,2,0,0,0,0|0,0,2]=4 716 B18R2.113908 CCC(C)CSc1nc(c2sccc2n1)OC 62a_100000748023_200014799438 [0,2,0,0,0,0|2,0,0]=4 717 B18R2.113908 CCC(O)CSc1nc(c2[nH]ccc2n1)OC 62a_100011218378_200010292222 [0,2,0,0,0,0|1,0,0]=3 718 B18R2.113908 CCC(O)CSc1nc(c2[nH]cnc2n1)NC 62a_100011218378_100102591833 [0,2,0,0,0,0|1,0,0]=3 719 B18R2.113908 CCC(O)CSc1nc(c2nc[nH]c2n1)OC 62a_100011218378_200012279070 [0,2,0,0,0,0|0,0,2]=4 720 B18R2.113908 CCC(O)CSc1nc(c2sccc2n1)OC 62a_100011218378_200014799438 [0,2,0,0,0,0|2,0,0]=4 721 B18R2.113908 CC[C@H](C)CSc1nc(c2[nH]ccc2n1)OC 62a_100009816398_200010292222 [0,2,0,0,0,0|1,0,0]=3 722 B18R2.113908 CC[C@H](C)CSc1nc(c2[nH]cnc2n1)NC 62a_100009816398_100102591833 [0,2,0,0,0,0|1,0,0]=3 723 B18R2.113908 CC[C@H](C)CSc1nc(c2nc[nH]c2n1)OC 62a_100009816398_200012279070 [0,2,0,0,0,0|0,0,2]=4 724 B18R2.113908 CC[C@H](C)CSc1nc(c2sccc2n1)OC 62a_100009816398_200014799438 [0,2,0,0,0,0|2,0,0]=4 725 B18R2.113908 CNc1nc(nc2c1[nH]cn2)SCC(O)CO 62a_100011219619_100102591833 [0,2,0,0,0,0|2,0,0]=4 726 B18R2.113908 CNc1nc(nc2c1[nH]cn2)SC[C@@H](C)CO 62a_100000059175_100102591833 [0,2,0,0,0,0|2,0,0]=4 727 B18R2.113908 CNc1nc(nc2c1[nH]cn2)SC[C@@H](O)CF 62a_100015614560_100102591833 [0,2,0,0,0,0|2,0,0]=4 728 B18R2.113908 CNc1nc(nc2c1[nH]cn2)SC[C@@H](O)CO 62a_100009815848_100102591833 [0,2,0,0,0,0|2,0,0]=4 729 B18R2.113908 COc1nc(nc2c1[nH]cc2)SCC(O)CO 62a_100011219619_200010292222 [0,2,0,0,0,0|2,0,0]=4 730 B18R2.113908 COc1nc(nc2c1[nH]cc2)SC[C@@H](C)CO 62a_100000059175_200010292222 [0,2,0,0,0,0|2,0,0]=4 731 B18R2.113908 COc1nc(nc2c1[nH]cc2)SC[C@@H](O)CF 62a_100015614560_200010292222 [0,2,0,0,0,0|2,0,0]=4 732 B18R2.113908 COc1nc(nc2c1[nH]cc2)SC[C@@H](O)CO 62a_100009815848_200010292222 [0,2,0,0,0,0|2,0,0]=4 733 B18R2.124756 CCCC(C)Sc1nc(c2[nH]ccc2n1)OC 62a_100000766640_200010292222 [0,2,0,0,0,0|1,0,0]=3 734 B18R2.124756 CCCC(C)Sc1nc(c2[nH]cnc2n1)NC 62a_100000766640_100102591833 [0,2,0,0,0,0|1,0,0]=3 735 B18R2.124756 CCCC(C)Sc1nc(c2nc[nH]c2n1)OC 62a_100000766640_200012279070 [0,2,0,0,0,0|0,0,2]=4 736 B18R2.124756 CCCC(C)Sc1nc(c2sccc2n1)OC 62a_100000766640_200014799438 [0,2,0,0,0,0|2,0,0]=4 737 B18R2.124756 CNc1nc(nc2c1[nH]cn2)SC(C)CCO 62a_100009893172_100102591833 [0,2,0,0,0,0|2,0,0]=4 738 B18R2.124756 CNc1nc(nc2c1[nH]cn2)SC(C)COC 62a_100000765312_100102591833 [0,2,0,0,0,0|2,0,0]=4 739 B18R2.124756 COCC(C)Sc1nc(c2[nH]ccc2n1)OC 62a_100000765312_200010292222 [0,2,0,0,0,0|2,0,0]=4 740 B18R2.124756 COc1nc(nc2c1[nH]cc2)SC(C)CCO 62a_100009893172_200010292222 [0,2,0,0,0,0|2,0,0]=4 741 B18R2.16190 C#CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100010269958_100020644719 [0,2,0,0,0,0|0,0,2]=4 742 B18R2.16190 C=CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215482_100020644719 [0,2,0,0,0,0|0,0,2]=4 743 B18R2.16190 CC/C=C\CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100015370543_100020644719 [0,2,0,0,0,0|0,0,2]=4 744 B18R2.16190 CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210314_100020644719 [0,2,0,0,0,0|0,0,2]=4 745 B18R2.16190 CCCCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011995733_100020644719 [0,2,0,0,0,0|0,0,2]=4 746 B18R2.16190 CCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215938_100020644719 [0,2,0,0,0,0|0,0,2]=4 747 B18R2.16190 CCOCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012232248_100020644719 [0,2,0,0,0,0|0,0,2]=4 748 B18R2.16190 COCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000730899_100020644719 [0,2,0,0,0,0|0,0,2]=4 749 B18R2.16190 COCCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000231047_100020644719 [0,2,0,0,0,0|0,0,2]=4 750 B18R2.16190 N#CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011219923_100020644719 [0,2,0,0,0,0|0,0,2]=4 751 B18R2.16190 O=CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000139335_100020644719 [0,2,0,0,0,0|0,0,2]=4 752 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCF 62a_100000729378_100020644719 [0,2,0,0,0,0|0,0,2]=4 753 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCO 62a_100000746330_100020644719 [0,2,0,0,0,0|0,0,2]=4 754 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCOCCO 62a_100011215305_100020644719 [0,2,0,0,0,0|0,0,2]=4 755 B18R2.63549 CC(=O)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215641_100020644719 [0,2,0,0,0,0|0,0,2]=4 756 B18R2.63549 CC(C)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011214892_100020644719 [0,2,0,0,0,0|0,0,2]=4 757 B18R2.63549 CC(C)OCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000211751_100020644719 [0,2,0,0,0,0|0,0,2]=4 758 B18R2.63549 CC(C)SCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000730970_100020644719 [0,2,0,0,0,0|0,0,2]=4 759 B18R2.63549 CC(O)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_200000718107_100020644719 [0,2,0,0,0,0|0,0,2]=4 760 B18R2.123296 CCCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200011215066_100020644719 [0,2,0,0,0,0|0,0,2]=4 761 B18R2.124436 CCCC(=O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000747444_100020644719 [0,2,0,0,0,0|0,0,2]=4 762 B18R2.124436 CCCC(C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011216630_100020644719 [0,2,0,0,0,0|0,0,2]=4 763 B18R2.124436 COCC(O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215053_100020644719 [0,2,0,0,0,0|0,0,2]=4 764 B18R2.1854125 C#CCCCNc1nc(c2c(n1)ncn2C)O 27a_100000718082_100000005714 [0,2,0,0,0,0|1,0,1]=4 765 B18R2.1854125 C#CCCCSc1nc(c2c(n1)ncn2C)O 62a_100011215417_100000005714 [0,2,0,0,0,0|0,0,1]=3 766 B18R2.1854125 C=CCCCNc1nc(c2c(n1)ncn2C)O 27a_100000700776_100000005714 [0,2,0,0,0,0|1,0,1]=4 767 B18R2.1854125 C=CCCCSc1nc(c2c(n1)ncn2C)O 62a_100011713584_100000005714 [0,2,0,0,0,0|0,0,1]=3 768 B18R2.1854125 C=COCCSc1nc(c2c(n1)ncn2C)O 62a_100000039644_100000005714 [0,2,0,0,0,0|0,0,2]=4 769 B18R2.1854125 CC/C=C\CSc1nc(c2c(n1)ncn2C)O 62a_100103147603_100000005714 [0,2,0,0,0,0|0,0,1]=3 770 B18R2.1854125 CCC#CCSc1nc(c2c(n1)ncn2C)O 62a_100009813939_100000005714 [0,2,0,0,0,0|0,0,1]=3 771 B18R2.1854125 CCCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016275911_100000005714 [0,2,0,0,0,0|1,0,0]=3 772 B18R2.1854125 CCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000209983_100000005714 [0,2,0,0,0,0|1,0,0]=3 773 B18R2.1854125 CCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210326_100000005714 [0,2,0,0,0,0|0,0,0]=2 774 B18R2.1854125 CCOCCNc1nc(c2c(n1)ncn2C)O 27a_100011200944_100000005714 [0,2,0,0,0,0|1,0,0]=3 775 B18R2.1854125 CCOCCSc1nc(c2c(n1)ncn2C)O 62a_100000210147_100000005714 [0,2,0,0,0,0|0,0,0]=2 776 B18R2.1854125 CCSCCNc1nc(c2c(n1)ncn2C)O 27a_100000106463_100000005714 [0,2,0,0,0,0|1,0,0]=3 777 B18R2.1854125 CCSCCSc1nc(c2c(n1)ncn2C)O 62a_100000757381_100000005714 [0,2,0,0,0,0|0,0,0]=2 778 B18R2.1854125 COCCCNc1nc(c2c(n1)ncn2C)O 27a_100150723488_100000005714 [0,2,0,0,0,0|1,0,0]=3 779 B18R2.1854125 COCCCSc1nc(c2c(n1)ncn2C)O 62a_100000709357_100000005714 [0,2,0,0,0,0|0,0,0]=2 780 B18R2.1854125 CSCCCNc1nc(c2c(n1)ncn2C)O 27a_100000749238_100000005714 [0,2,0,0,0,0|1,0,0]=3 781 B18R2.1854125 Cn1cnc2c1c(nc(n2)NCCCCO)O 27a_100000750430_100000005714 [0,2,0,0,0,0|1,0,0]=3 782 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCC#CCO)O 62a_200000047223_100000005714 [0,2,0,0,0,0|0,0,2]=4 783 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCC#N)O 62a_100000687738_100000005714 [0,2,0,0,0,0|0,0,1]=3 784 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCC=O)O 62a_200011292268_100000005714 [0,2,0,0,0,0|0,0,1]=3 785 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCCF)O 62a_100000729493_100000005714 [0,2,0,0,0,0|0,0,0]=2 786 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCCO)O 62a_100000210776_100000005714 [0,2,0,0,0,0|0,0,0]=2 787 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCSC#N)O 62a_100000034367_100000005714 [0,2,0,0,0,0|1,0,1]=4 788 B18R2.63548 CC(C)(C)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000755188_100020644719 [0,2,0,0,0,0|0,0,2]=4 789 B18R2.63548 CC(C)(O)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000702414_100020644719 [0,2,0,0,0,0|0,0,2]=4 790 B18R2.513826 CC(C)CC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100000731052_100020644719 [0,2,0,0,0,0|0,0,2]=4 791 B18R2.3082544 C=C(C)CCSc1nc(c2c(n1)ncn2C)O 62a_100000730704_100000005714 [0,2,0,0,0,0|0,0,1]=3 792 B18R2.3082544 CC(=CCSc1nc(c2c(n1)ncn2C)O)C 62a_100000761012_100000005714 [0,2,0,0,0,0|0,0,2]=4 793 B18R2.3082544 CC(=O)CCSc1nc(c2c(n1)ncn2C)O 62a_100000053229_100000005714 [0,2,0,0,0,0|0,0,1]=3 794 B18R2.3082544 CC(=O)OCSc1nc(c2c(n1)ncn2C)O 62a_100000076356_100000005714 [0,2,0,0,0,0|1,0,1]=4 795 B18R2.3082544 CC(C)CC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016259101_100000005714 [0,2,0,0,0,0|1,0,1]=4 796 B18R2.3082544 CC(C)CCNc1nc(c2c(n1)ncn2C)O 27a_100000210545_100000005714 [0,2,0,0,0,0|1,0,0]=3 797 B18R2.3082544 CC(C)CCSc1nc(c2c(n1)ncn2C)O 62a_100000210312_100000005714 [0,2,0,0,0,0|0,0,0]=2 798 B18R2.3082544 CC(C)OCSc1nc(c2c(n1)ncn2C)O 62a_100000709892_100000005714 [0,2,0,0,0,0|1,0,0]=3 799 B18R2.3082544 CC(O)CCNc1nc(c2c(n1)ncn2C)O 27a_200000755665_100000005714 [0,2,0,0,0,0|1,0,0]=3 800 B18R2.3082544 CC(O)CCSc1nc(c2c(n1)ncn2C)O 62a_100012276601_100000005714 [0,2,0,0,0,0|0,0,0]=2 801 B18R2.3082544 CN(C)CCNc1nc(c2c(n1)ncn2C)O 27a_100000210585_100000005714 [0,2,0,0,0,0|2,0,0]=4 802 B18R2.3082544 Cn1cnc2c1c(nc(n2)SCCC(=O)N)O 62a_100000744528_100000005714 [0,2,0,0,0,0|1,0,1]=4 803 B18R2.34511 CCCC(CC)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100011219200_100020644719 [0,2,0,0,0,0|0,0,2]=4 804 B18R2.1667423 CC(CC#N)Sc1nc(c2c(n1)ncn2C)O 62a_100009813641_100000005714 [0,2,0,0,0,0|1,0,1]=4 805 B18R2.1667423 CC(CCO)Sc1nc(c2c(n1)ncn2C)O 62a_100009893172_100000005714 [0,2,0,0,0,0|1,0,0]=3 806 B18R2.1667423 CCCC(C)Nc1nc(c2c(n1)ncn2C)O 27a_100000741246_100000005714 [0,2,0,0,0,0|1,0,0]=3 807 B18R2.1667423 CCCC(C)Sc1nc(c2c(n1)ncn2C)O 62a_100000766640_100000005714 [0,2,0,0,0,0|0,0,0]=2 808 B18R2.1667423 COCC(C)Sc1nc(c2c(n1)ncn2C)O 62a_100000765312_100000005714 [0,2,0,0,0,0|1,0,0]=3 809 B18R2.1667423 COC[C@@H](C)Nc1nc(c2c(n1)ncn2C)O 27a_100000764878_100000005714 [0,2,0,0,0,0|2,0,0]=4 810 B18R2.1667423 C[C@H](CCO)Nc1nc(c2c(n1)ncn2C)O 27a_100000706166_100000005714 [0,2,0,0,0,0|2,0,0]=4 811 B18R2.69444 CCC(CC)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215472_100020644719 [0,2,0,0,0,0|0,0,2]=4 812 B18R2.1765168 C=CC(O)CSc1nc(c2c(n1)ncn2C)O 62a_100000730141_100000005714 [0,2,0,0,0,0|0,0,2]=4 813 B18R2.1765168 CC(CO)CNc1nc(c2c(n1)ncn2C)O 27a_100000744482_100000005714 [0,2,0,0,0,0|2,0,0]=4 814 B18R2.1765168 CCC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_100000747405_100000005714 [0,2,0,0,0,0|0,0,1]=3 815 B18R2.1765168 CCC(C)CNc1nc(c2c(n1)ncn2C)O 27a_100020588543_100000005714 [0,2,0,0,0,0|1,0,0]=3 816 B18R2.1765168 CCC(C)CSc1nc(c2c(n1)ncn2C)O 62a_100000748023_100000005714 [0,2,0,0,0,0|0,0,0]=2 817 B18R2.1765168 CCC(O)CNc1nc(c2c(n1)ncn2C)O 27a_100011218483_100000005714 [0,2,0,0,0,0|1,0,0]=3 818 B18R2.1765168 CCC(O)CSc1nc(c2c(n1)ncn2C)O 62a_100011218378_100000005714 [0,2,0,0,0,0|0,0,0]=2 819 B18R2.1765168 CC[C@H](C)CSc1nc(c2c(n1)ncn2C)O 62a_100009816398_100000005714 [0,2,0,0,0,0|0,0,0]=2 820 B18R2.1765168 CNC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_100000183359_100000005714 [0,2,0,0,0,0|1,0,1]=4 821 B18R2.1765168 COC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_100000747449_100000005714 [0,2,0,0,0,0|1,0,1]=4 822 B18R2.1765168 CO[C@H](C)CNc1nc(c2c(n1)ncn2C)O 27a_100020591295_100000005714 [0,2,0,0,0,0|2,0,0]=4 823 B18R2.1765168 C[C@@H](CO)CSc1nc(c2c(n1)ncn2C)O 62a_100000059175_100000005714 [0,2,0,0,0,0|1,0,0]=3 824 B18R2.1765168 Cn1cnc2c1c(nc(n2)NC[C@@H](F)CO)O 27a_100015665980_100000005714 [0,2,0,0,0,0|2,0,0]=4 825 B18R2.1765168 Cn1cnc2c1c(nc(n2)NC[C@H](O)CO)O 27a_100020644852_100000005714 [0,2,0,0,0,0|2,0,0]=4 826 B18R2.1765168 Cn1cnc2c1c(nc(n2)SCC(O)CO)O 62a_100011219619_100000005714 [0,2,0,0,0,0|1,0,0]=3 827 B18R2.1765168 Cn1cnc2c1c(nc(n2)SC[C@@H](O)CF)O 62a_100015614560_100000005714 [0,2,0,0,0,0|1,0,0]=3 828 B18R2.1765168 Cn1cnc2c1c(nc(n2)SC[C@@H](O)CO)O 62a_100009815848_100000005714 [0,2,0,0,0,0|1,0,0]=3 829 B18R2.2183658 CCCCN(C)c1nc(c2c(n1)ncn2C)O 27a_100000207549_100000005714 [0,2,0,0,0,0|1,0,0]=3 830 B18R2.2183658 CN(CCCO)c1nc(c2c(n1)ncn2C)O 27a_100000213112_100000005714 [0,2,0,0,0,0|2,0,0]=4 831 B18R2.2183658 COCCN(C)c1nc(c2c(n1)ncn2C)O 27a_100000743101_100000005714 [0,2,0,0,0,0|2,0,0]=4 832 B18R2.2183658 CSCCN(C)c1nc(c2c(n1)ncn2C)O 27a_100000686725_100000005714 [0,2,0,0,0,0|2,0,0]=4 833 B16R2.6353 CCCCSc1ncnc2c1c(c[nH]2)C 62a_100000210211_100000092391 [0,0,1,1,0,0|2,0,0]=4 834 B16R2.6353 CCCCSc1ncnc2c1c(c[nH]2)F 62a_100000210211_100009880486 [0,0,1,1,0,0|2,0,0]=4 835 B16R3.1779 c1cc2nc(ncc2[nH]1)N3CCCC3 27a_100000188435_100009831719 [1,0,0,1,0,0|2,0,0]=4 836 B16R3.3403 CC1CCN1c2ncc3[nH]ccc3n2 27a_100000755817_100009831719 [1,0,0,1,0,0|2,0,0]=4 837 B16R3.5012 c1cc2nc(ncc2[nH]1)NC3CCC3 27a_100000749019_100009831719 [1,0,0,1,0,0|2,0,0]=4 838 B16R3.6439 c1cc2[nH]nnc2nc1SCC3CC3 62a_100000756562_100000056387 [1,0,0,1,0,0|2,0,0]=4 839 B16R3.6439 c1cc2cc(ncc2[nH]1)SCC3CC3 62a_100000756562_100009864809 [1,0,0,1,0,0|2,0,0]=4 840 B16R3.6439 c1cc2cnc(nc2[nH]1)SCC3CC3 62a_100000756562_100000059789 [1,0,0,1,0,0|1,0,1]=4 841 B16R3.6439 c1cc2cnc(nc2s1)SCC3CC3 62a_100000756562_100009840870 [1,0,0,1,0,0|2,0,0]=4 842 B16R3.6439 c1cc2nc(ccc2[nH]1)SCC3CC3 62a_100000756562_100000087148 [1,0,0,1,0,0|2,0,0]=4 843 B16R3.6439 c1cc2nc(ncc2[nH]1)NCC3CC3 27a_100000735609_100009831719 [1,0,0,1,0,0|2,0,0]=4 844 B16R3.6439 c1cc2nc(ncc2[nH]1)SCC3CC3 62a_100000756562_100009831719 [1,0,0,1,0,0|1,0,0]=3 845 B16R3.6439 c1cc2nc(ncc2[nH]1)SCC3CO3 62a_102125554688_100009831719 [1,0,0,1,0,0|2,0,0]=4 846 B16R3.6439 c1cc2nc(ncc2[nH]1)SCC3CS3 62a_100000031435_100009831719 [1,0,0,1,0,0|2,0,0]=4 847 B16R3.6439 c1cc2nc(ncc2[nH]1)SC[C@@H]3CO3 62a_100000745022_100009831719 [1,0,0,1,0,0|2,0,0]=4 848 B16R3.6439 c1cc2nc(ncc2s1)SCC3CC3 62a_100000756562_100000117912 [1,0,0,1,0,0|2,0,0]=4 849 B16R3.6439 c1n[nH]c2c1nc(nc2)SCC3CC3 62a_100000756562_100009843425 [1,0,0,1,0,0|2,0,0]=4 850 B16R3.6439 c1nc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100011265325 [1,0,0,1,0,0|2,0,0]=4 851 B16R3.6439 c1nc2cc(ncc2[nH]1)SCC3CC3 62a_100000756562_100000070173 [1,0,0,1,0,0|1,0,0]=3 852 B16R3.6439 c1nc2cc(ncc2[nH]1)SCC3CO3 62a_102125554688_100000070173 [1,0,0,1,0,0|2,0,0]=4 853 B16R3.6439 c1nc2cc(ncc2[nH]1)SCC3CS3 62a_100000031435_100000070173 [1,0,0,1,0,0|2,0,0]=4 854 B16R3.6439 c1nc2cc(ncc2[nH]1)SC[C@@H]3CO3 62a_100000745022_100000070173 [1,0,0,1,0,0|2,0,0]=4 855 B16R3.6439 c1nc2cnc(nc2[nH]1)SCC3CC3 62a_100000756562_100000009038 [1,0,0,1,0,0|0,0,2]=4 856 B18R3.100899 Oc1nc(nc2c1cccc2)SCC3CC3 62a_100000756562_100000187174 [0,0,0,1,0,1|2,0,0]=4 857 B18R3.164901 CNc1nc(nc2c1[nH]cn2)SCC3CC3 62a_100000756562_100102591833 [0,1,0,1,0,0|1,0,0]=3 858 B18R3.164901 CNc1nc(nc2c1[nH]cn2)SCC3CO3 62a_102125554688_100102591833 [0,1,0,1,0,0|2,0,0]=4 859 B18R3.164901 CNc1nc(nc2c1[nH]cn2)SCC3CS3 62a_100000031435_100102591833 [0,1,0,1,0,0|2,0,0]=4 860 B18R3.164901 CNc1nc(nc2c1[nH]cn2)SC[C@@H]3CO3 62a_100000745022_100102591833 [0,1,0,1,0,0|2,0,0]=4 861 B18R3.164901 COc1nc(nc2c1[nH]cc2)SCC3CC3 62a_100000756562_200010292222 [0,1,0,1,0,0|1,0,0]=3 862 B18R3.164901 COc1nc(nc2c1[nH]cc2)SCC3CO3 62a_102125554688_200010292222 [0,1,0,1,0,0|2,0,0]=4 863 B18R3.164901 COc1nc(nc2c1[nH]cc2)SCC3CS3 62a_100000031435_200010292222 [0,1,0,1,0,0|2,0,0]=4 864 B18R3.164901 COc1nc(nc2c1[nH]cc2)SC[C@@H]3CO3 62a_100000745022_200010292222 [0,1,0,1,0,0|2,0,0]=4 865 B18R3.164901 COc1nc(nc2c1nc[nH]2)SCC3CC3 62a_100000756562_200012279070 [0,1,0,1,0,0|0,0,2]=4 866 B18R3.164901 COc1nc(nc2c1scc2)SCC3CC3 62a_100000756562_200014799438 [0,1,0,1,0,0|2,0,0]=4 867 B18R3.100893 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCC3 62a_100011217020_100020644719 [0,1,0,1,0,0|0,0,2]=4 868 B18R3.916107 O=c1[nH]c(nc2c1[nH]cn2)SCCC3CC3 62a_100000764125_100020644719 [0,1,0,1,0,0|0,0,2]=4 869 B18R3.916107 O=c1[nH]c(nc2c1[nH]cn2)SCCC3CO3 62a_100000732470_100020644719 [0,1,0,1,0,0|0,0,2]=4 870 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCC3 62a_100000763275_100020644719 [0,1,0,1,0,0|0,0,2]=4 871 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCO3 62a_100000103362_100020644719 [0,1,0,1,0,0|0,0,2]=4 872 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)SCC3COC3 62a_100010264016_100020644719 [0,1,0,1,0,0|0,0,2]=4 873 B18R3.548188 Cn1cnc2c1c(nc(n2)C3=CCCC3)O 271570a_100000089523_100000005714 [0,1,0,1,0,0|1,0,1]=4 874 B18R3.548188 Cn1cnc2c1c(nc(n2)N3CCCC3)O 27a_100000188435_100000005714 [0,1,0,1,0,0|1,0,0]=3 875 B18R3.548188 Cn1cnc2c1c(nc(n2)N3CCSC3)O 27a_100011215254_100000005714 [0,1,0,1,0,0|2,0,0]=4 876 B18R3.842203 CC1CCN1c2nc(c3c(n2)ncn3C)O 27a_100000755817_100000005714 [0,1,0,1,0,0|1,0,0]=3 877 B18R3.4052701 Cn1cnc2c1c(nc(n2)N[C@@H]3C[C@@H]3F)O 27a_100015190264_100000005714 [0,1,0,1,0,0|2,0,0]=4 878 B18R3.4052701 Cn1cnc2c1c(nc(n2)N[C@@H]3C[C@H]3F)O 27a_100025746932_100000005714 [0,1,0,1,0,0|2,0,0]=4 879 B18R3.4053399 Cn1cnc2c1c(nc(n2)NC3CCC3)O 27a_100000749019_100000005714 [0,1,0,1,0,0|1,0,0]=3 880 B18R3.4053399 Cn1cnc2c1c(nc(n2)NC3COC3)O 27a_100016991112_100000005714 [0,1,0,1,0,0|2,0,0]=4 881 B18R3.4053399 Cn1cnc2c1c(nc(n2)NC3CSC3)O 27a_100016994217_100000005714 [0,1,0,1,0,0|2,0,0]=4 882 B18R3.4053400 Cn1cnc2c1c(nc(n2)C#CC3CC3)O 271570a_200009880635_100000005714 [0,1,0,1,0,0|1,0,1]=4 883 B18R3.4053400 Cn1cnc2c1c(nc(n2)C=CC3CC3)O 271570a_100102526188_100000005714 [0,1,0,1,0,0|1,0,1]=4 884 B18R3.4053400 Cn1cnc2c1c(nc(n2)NCC3CC3)O 27a_100000735609_100000005714 [0,1,0,1,0,0|1,0,0]=3 885 B18R3.4053400 Cn1cnc2c1c(nc(n2)SCC3CC3)O 62a_100000756562_100000005714 [0,1,0,1,0,0|0,0,0]=2 886 B18R3.4053400 Cn1cnc2c1c(nc(n2)SCC3CO3)O 62a_102125554688_100000005714 [0,1,0,1,0,0|1,0,0]=3 887 B18R3.4053400 Cn1cnc2c1c(nc(n2)SCC3CS3)O 62a_100000031435_100000005714 [0,1,0,1,0,0|1,0,0]=3 888 B18R3.4053400 Cn1cnc2c1c(nc(n2)SC[C@@H]3CO3)O 62a_100000745022_100000005714 [0,1,0,1,0,0|1,0,0]=3 889 B16R2.1054 CCCSc1nc(c2ccccc2n1)O 62a_100000210303_100000187174 [1,0,0,0,0,1|2,0,0]=4 890 B16R2.7680 CCCCSc1ncc(c2c1cc[nH]2)C 62a_100000210211_100010244391 [0,0,0,0,1,1|2,0,0]=4 891 B16R2.7680 CCCCSc1ncc(c2c1nc[nH]2)F 62a_100000210211_100009853726 [0,0,0,0,1,1|1,0,0]=3 892 B16R2.7680 CCOCSc1ncc(c2c1nc[nH]2)F 62a_100000739092_100009853726 [0,0,0,0,1,1|2,0,0]=4 893 B16R2.7680 COCCSc1ncc(c2c1nc[nH]2)F 62a_100000233755_100009853726 [0,0,0,0,1,1|2,0,0]=4 894 B16R2.7680 CSCCSc1ncc(c2c1nc[nH]2)F 62a_100000212216_100009853726 [0,0,0,0,1,1|2,0,0]=4 895 B16R2.7680 FCCCSc1ncc(c2c1nc[nH]2)F 62a_100011934791_100009853726 [0,0,0,0,1,1|2,0,0]=4 896 B16R2.7680 OCCCSc1ncc(c2c1nc[nH]2)F 62a_100011215043_100009853726 [0,0,0,0,1,1|2,0,0]=4