0 B17R2.19066 C#CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215417_100020644719 [0,0,0,0,0,0|0,0,4]=4 1 B17R2.19066 C=CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011713584_100020644719 [0,0,0,0,0,0|0,0,4]=4 2 B17R2.19066 CC/C=C\CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100103147603_100020644719 [0,0,0,0,0,0|0,0,4]=4 3 B17R2.19066 CCC#CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009813939_100020644719 [0,0,0,0,0,0|0,0,4]=4 4 B17R2.19066 CCCCC=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100016275911_100009812310 [0,0,0,0,0,0|1,0,3]=4 5 B17R2.19066 CCCCCNc1cc2nccn2c(n1)O 27a_100000209983_100015273213 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.19066 CCCCCNc1nc(c2nc[nH]c2n1)C 27a_100000209983_100000093496 [0,0,0,0,0,0|2,0,2]=4 7 B17R2.19066 CCCCCNc1nc(c2nc[nH]c2n1)N 27a_100000209983_100102524922 [0,0,0,0,0,0|2,0,2]=4 8 B17R2.19066 CCCCCNc1nc(c2sccc2n1)N 27a_100000209983_100012002325 [0,0,0,0,0,0|4,0,0]=4 9 B17R2.19066 CCCCCNc1nc(c2sccc2n1)O 27a_100000209983_100012177178 [0,0,0,0,0,0|3,0,0]=3 10 B17R2.19066 CCCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000209983_100020644719 [0,0,0,0,0,0|1,0,2]=3 11 B17R2.19066 CCCCCSc1cc(c2[nH]ccc2c1)C 62a_100000210326_100009817142 [0,0,0,0,0,0|4,0,0]=4 12 B17R2.19066 CCCCCSc1cc(c2[nH]ccc2c1)F 62a_100000210326_100010138380 [0,0,0,0,0,0|4,0,0]=4 13 B17R2.19066 CCCCCSc1cc(c2[nH]ccc2c1)N 62a_100000210326_100009813507 [0,0,0,0,0,0|4,0,0]=4 14 B17R2.19066 CCCCCSc1nc(c2c(n1)CCC2)N 62a_100000107085_100000210326 [0,0,0,0,0,0|3,0,1]=4 15 B17R2.19066 CCCCCSc1nc(c2c(n1)CCC2)N 62a_100000210326_100000107085 [0,0,0,0,0,0|3,0,1]=4 16 B17R2.19066 CCCCCSc1nc(c2cn[nH]c2n1)N 62a_100000210326_100000696086 [0,0,0,0,0,0|3,0,1]=4 17 B17R2.19066 CCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210326_100000093496 [0,0,0,0,0,0|1,0,2]=3 18 B17R2.19066 CCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210326 [0,0,0,0,0,0|3,0,0]=3 19 B17R2.19066 CCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210326_100010207356 [0,0,0,0,0,0|1,0,2]=3 20 B17R2.19066 CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210326_100020644719 [0,0,0,0,0,0|0,0,2]=2 21 B17R2.19066 CCOCCNc1nc(c2sccc2n1)O 27a_100011200944_100012177178 [0,0,0,0,0,0|4,0,0]=4 22 B17R2.19066 CCOCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100011200944_100020644719 [0,0,0,0,0,0|2,0,2]=4 23 B17R2.19066 CCOCCSc1nc(c2nc[nH]c2n1)C 62a_100000210147_100000093496 [0,0,0,0,0,0|2,0,2]=4 24 B17R2.19066 CCOCCSc1nc(c2sccc2n1)N 62a_100012002325_100011215890 [0,0,0,0,0,0|4,0,0]=4 25 B17R2.19066 CCOCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210147_100010207356 [0,0,0,0,0,0|2,0,2]=4 26 B17R2.19066 CCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210147_100020644719 [0,0,0,0,0,0|1,0,2]=3 27 B17R2.19066 CCSCCNc1nc(c2sccc2n1)O 27a_100000106463_100012177178 [0,0,0,0,0,0|4,0,0]=4 28 B17R2.19066 CCSCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000106463_100020644719 [0,0,0,0,0,0|2,0,2]=4 29 B17R2.19066 CCSCCSc1nc(c2nc[nH]c2n1)C 62a_100000757381_100000093496 [0,0,0,0,0,0|2,0,2]=4 30 B17R2.19066 CCSCCSc1nc(c2sccc2n1)N 62a_100012002325_100000757381 [0,0,0,0,0,0|4,0,0]=4 31 B17R2.19066 CCSCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000757381_100010207356 [0,0,0,0,0,0|2,0,2]=4 32 B17R2.19066 CCSCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000757381_100020644719 [0,0,0,0,0,0|1,0,2]=3 33 B17R2.19066 COCCCNc1nc(c2sccc2n1)O 27a_100150723488_100012177178 [0,0,0,0,0,0|4,0,0]=4 34 B17R2.19066 COCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100150723488_100020644719 [0,0,0,0,0,0|2,0,2]=4 35 B17R2.19066 COCCCSc1nc(c2nc[nH]c2n1)C 62a_100000709357_100000093496 [0,0,0,0,0,0|2,0,2]=4 36 B17R2.19066 COCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000709357 [0,0,0,0,0,0|4,0,0]=4 37 B17R2.19066 COCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000709357_100010207356 [0,0,0,0,0,0|2,0,2]=4 38 B17R2.19066 COCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000709357_100020644719 [0,0,0,0,0,0|1,0,2]=3 39 B17R2.19066 CSCCCNc1nc(c2sccc2n1)O 27a_100000749238_100012177178 [0,0,0,0,0,0|4,0,0]=4 40 B17R2.19066 CSCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000749238_100020644719 [0,0,0,0,0,0|2,0,2]=4 41 B17R2.19066 Cc1nc(nc2c1nc[nH]2)SCCCCF 62a_100000729493_100000093496 [0,0,0,0,0,0|2,0,2]=4 42 B17R2.19066 Cc1nc(nc2c1nc[nH]2)SCCCCO 62a_100000210776_100000093496 [0,0,0,0,0,0|2,0,2]=4 43 B17R2.19066 FCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000729493_100010207356 [0,0,0,0,0,0|2,0,2]=4 44 B17R2.19066 N#CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000687738_100020644719 [0,0,0,0,0,0|1,0,3]=4 45 B17R2.19066 Nc1nc(nc2c1scc2)SCCCCF 62a_100012002325_100000729493 [0,0,0,0,0,0|4,0,0]=4 46 B17R2.19066 Nc1nc(nc2c1scc2)SCCCCO 62a_100012002325_100000210776 [0,0,0,0,0,0|4,0,0]=4 47 B17R2.19066 O=CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_200011292268_100020644719 [0,0,0,0,0,0|1,0,3]=4 48 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)NCCCCO 27a_100000750430_100020644719 [0,0,0,0,0,0|2,0,2]=4 49 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)SCCCCF 62a_100000729493_100020644719 [0,0,0,0,0,0|1,0,2]=3 50 B17R2.19066 O=c1[nH]c(nc2c1[nH]cn2)SCCCCO 62a_100000210776_100020644719 [0,0,0,0,0,0|1,0,2]=3 51 B17R2.19066 OCCCCNc1nc(c2sccc2n1)O 27a_100000750430_100012177178 [0,0,0,0,0,0|4,0,0]=4 52 B17R2.19066 OCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210776_100010207356 [0,0,0,0,0,0|2,0,2]=4 53 B16R2.3136 C#CCCCSc1cc2nc[nH]c2cn1 62a_100011215417_100000070173 [1,0,0,0,0,0|1,0,2]=4 54 B16R2.3136 C#CCCCSc1ncc2[nH]ccc2n1 62a_100011215417_100009831719 [1,0,0,0,0,0|1,0,2]=4 55 B16R2.3136 C=CCCCSc1cc2nc[nH]c2cn1 62a_100011713584_100000070173 [1,0,0,0,0,0|1,0,2]=4 56 B16R2.3136 C=CCCCSc1ncc2[nH]ccc2n1 62a_100011713584_100009831719 [1,0,0,0,0,0|1,0,2]=4 57 B16R2.3136 CC/C=C\CSc1cc2nc[nH]c2cn1 62a_100103147603_100000070173 [1,0,0,0,0,0|1,0,2]=4 58 B16R2.3136 CC/C=C\CSc1ncc2[nH]ccc2n1 62a_100103147603_100009831719 [1,0,0,0,0,0|1,0,2]=4 59 B16R2.3136 CCC#CCSc1cc2nc[nH]c2cn1 62a_100009813939_100000070173 [1,0,0,0,0,0|1,0,2]=4 60 B16R2.3136 CCC#CCSc1ncc2[nH]ccc2n1 62a_100009813939_100009831719 [1,0,0,0,0,0|1,0,2]=4 61 B16R2.3136 CCCCC=Cc1cc2nc[nH]c2cn1 271570a_100016275911_100000070173 [1,0,0,0,0,0|2,0,1]=4 62 B16R2.3136 CCCCCNc1ccc2[nH]nnc2n1 27a_100000209983_100000056387 [1,0,0,0,0,0|3,0,0]=4 63 B16R2.3136 CCCCCNc1ncc2[nH]ccc2n1 27a_100000209983_100009831719 [1,0,0,0,0,0|2,0,0]=3 64 B16R2.3136 CCCCCNc1ncc2[nH]ncc2n1 27a_100000209983_100009843425 [1,0,0,0,0,0|3,0,0]=4 65 B16R2.3136 CCCCCNc1ncc2cc[nH]c2n1 27a_100000209983_100000059789 [1,0,0,0,0,0|2,0,1]=4 66 B16R2.3136 CCCCCNc1ncc2ccsc2n1 27a_100000209983_100009840870 [1,0,0,0,0,0|3,0,0]=4 67 B16R2.3136 CCCCCNc1ncc2nc[nH]c2n1 27a_100000209983_100000009038 [1,0,0,0,0,0|1,0,2]=4 68 B16R2.3136 CCCCCNc1ncc2sccc2n1 27a_100000209983_100000117912 [1,0,0,0,0,0|3,0,0]=4 69 B16R2.3136 CCCCCSc1cc2[nH]ccc2cn1 62a_100000210326_100000089685 [1,0,0,0,0,0|2,0,1]=4 70 B16R2.3136 CCCCCSc1cc2c(cn1)NCC2 62a_100000210326_100009884275 [1,0,0,0,0,0|2,0,1]=4 71 B16R2.3136 CCCCCSc1cc2c(cn1)NCC2 62a_100009884275_100000210326 [1,0,0,0,0,0|2,0,1]=4 72 B16R2.3136 CCCCCSc1cc2cc[nH]c2cn1 62a_100000210326_100009864809 [1,0,0,0,0,0|2,0,0]=3 73 B16R2.3136 CCCCCSc1cc2cc[nH]c2nn1 62a_100000210326_100009855299 [1,0,0,0,0,0|3,0,0]=4 74 B16R2.3136 CCCCCSc1cc2cn[nH]c2cn1 62a_100000210326_100000082130 [1,0,0,0,0,0|3,0,0]=4 75 B16R2.3136 CCCCCSc1cc2cn[nH]c2cn1 62a_100009820118_100000210326 [1,0,0,0,0,0|3,0,0]=4 76 B16R2.3136 CCCCCSc1cc2nc[nH]c2cn1 62a_100000210326_100000070173 [1,0,0,0,0,0|1,0,0]=2 77 B16R2.3136 CCCCCSc1cc2nccn2cn1 62a_100000210326_100000052551 [1,0,0,0,0,0|3,0,0]=4 78 B16R2.3136 CCCCCSc1cc2ncnn2cn1 62a_100000101099_100000210326 [1,0,0,0,0,0|2,0,1]=4 79 B16R2.3136 CCCCCSc1cc2ncnn2cn1 62a_100000210326_100000101099 [1,0,0,0,0,0|2,0,1]=4 80 B16R2.3136 CCCCCSc1cc2sccc2cn1 62a_100000210326_200016184645 [1,0,0,0,0,0|3,0,0]=4 81 B16R2.3136 CCCCCSc1ccc2[nH]ccc2c1 62a_100000210326_100000035808 [1,0,0,0,0,0|3,0,0]=4 82 B16R2.3136 CCCCCSc1ccc2[nH]ccc2n1 62a_100000210326_100000087148 [1,0,0,0,0,0|2,0,0]=3 83 B16R2.3136 CCCCCSc1ccc2[nH]cnc2c1 62a_100000210326_100011265325 [1,0,0,0,0,0|2,0,0]=3 84 B16R2.3136 CCCCCSc1ccc2[nH]ncc2n1 62a_100000210326_100000082131 [1,0,0,0,0,0|3,0,0]=4 85 B16R2.3136 CCCCCSc1ccc2[nH]nnc2n1 62a_100000210326_100000056387 [1,0,0,0,0,0|2,0,0]=3 86 B16R2.3136 CCCCCSc1ccc2c(n1)CCN2 62a_100000210326_100009872833 [1,0,0,0,0,0|2,0,1]=4 87 B16R2.3136 CCCCCSc1ccc2c(n1)CCN2 62a_100009872833_100000210326 [1,0,0,0,0,0|2,0,1]=4 88 B16R2.3136 CCCCCSc1ccc2cc[nH]c2n1 62a_100000210326_100009814870 [1,0,0,0,0,0|2,0,1]=4 89 B16R2.3136 CCCCCSc1ccc2nc[nH]c2n1 62a_100000210326_100000077665 [1,0,0,0,0,0|1,0,2]=4 90 B16R2.3136 CCCCCSc1ccc2nc[nH]c2n1 62a_100009820032_100000210326 [1,0,0,0,0,0|1,0,2]=4 91 B16R2.3136 CCCCCSc1ccc2ncsc2n1 62a_100000210326_100010381354 [1,0,0,0,0,0|2,0,1]=4 92 B16R2.3136 CCCCCSc1ccc2ncsc2n1 62a_100010090457_100000210326 [1,0,0,0,0,0|2,0,1]=4 93 B16R2.3136 CCCCCSc1ccc2occc2n1 62a_100000210326_100009851292 [1,0,0,0,0,0|3,0,0]=4 94 B16R2.3136 CCCCCSc1ccc2ocnc2c1 62a_100000210326_100009816175 [1,0,0,0,0,0|3,0,0]=4 95 B16R2.3136 CCCCCSc1ccc2sccc2n1 62a_100000210326_100012000956 [1,0,0,0,0,0|3,0,0]=4 96 B16R2.3136 CCCCCSc1ccc2scnc2c1 62a_100000210326_100010005895 [1,0,0,0,0,0|3,0,0]=4 97 B16R2.3136 CCCCCSc1ccn2ncnc2n1 62a_100000054300_100000210326 [1,0,0,0,0,0|2,0,1]=4 98 B16R2.3136 CCCCCSc1ccn2ncnc2n1 62a_100000210326_100000054300 [1,0,0,0,0,0|2,0,1]=4 99 B16R2.3136 CCCCCSc1cn2ncnc2cn1 62a_100000210326_100009847490 [1,0,0,0,0,0|2,0,1]=4 100 B16R2.3136 CCCCCSc1cn2ncnc2cn1 62a_100009847490_100000210326 [1,0,0,0,0,0|2,0,1]=4 101 B16R2.3136 CCCCCSc1cnc2[nH]ccc2n1 62a_100000210326_100009819590 [1,0,0,0,0,0|3,0,0]=4 102 B16R2.3136 CCCCCSc1ncc2[nH]ccc2n1 62a_100000210326_100009831719 [1,0,0,0,0,0|1,0,0]=2 103 B16R2.3136 CCCCCSc1ncc2[nH]ncc2n1 62a_100000210326_100009843425 [1,0,0,0,0,0|2,0,0]=3 104 B16R2.3136 CCCCCSc1ncc2c(n1)CCC2 62a_100000210326_100009881048 [1,0,0,0,0,0|2,0,1]=4 105 B16R2.3136 CCCCCSc1ncc2c(n1)CCC2 62a_100009881048_100000210326 [1,0,0,0,0,0|2,0,1]=4 106 B16R2.3136 CCCCCSc1ncc2cc[nH]c2n1 62a_100000210326_100000059789 [1,0,0,0,0,0|1,0,1]=3 107 B16R2.3136 CCCCCSc1ncc2ccsc2n1 62a_100000210326_100009840870 [1,0,0,0,0,0|2,0,0]=3 108 B16R2.3136 CCCCCSc1ncc2cn[nH]c2n1 62a_100000210326_100000063646 [1,0,0,0,0,0|2,0,1]=4 109 B16R2.3136 CCCCCSc1ncc2nc[nH]c2n1 62a_100000210326_100000009038 [1,0,0,0,0,0|0,0,2]=3 110 B16R2.3136 CCCCCSc1ncc2sccc2n1 62a_100000210326_100000117912 [1,0,0,0,0,0|2,0,0]=3 111 B16R2.3136 CCOCCNc1ncc2[nH]ccc2n1 27a_100011200944_100009831719 [1,0,0,0,0,0|3,0,0]=4 112 B16R2.3136 CCOCCSc1cc2cc[nH]c2cn1 62a_100000210147_100009864809 [1,0,0,0,0,0|3,0,0]=4 113 B16R2.3136 CCOCCSc1cc2nc[nH]c2cn1 62a_100000210147_100000070173 [1,0,0,0,0,0|2,0,0]=3 114 B16R2.3136 CCOCCSc1ccc2[nH]ccc2n1 62a_100000210147_100000087148 [1,0,0,0,0,0|3,0,0]=4 115 B16R2.3136 CCOCCSc1ccc2[nH]cnc2c1 62a_100000210147_100011265325 [1,0,0,0,0,0|3,0,0]=4 116 B16R2.3136 CCOCCSc1ccc2[nH]nnc2n1 62a_100000210147_100000056387 [1,0,0,0,0,0|3,0,0]=4 117 B16R2.3136 CCOCCSc1ncc2[nH]ccc2n1 62a_100000210147_100009831719 [1,0,0,0,0,0|2,0,0]=3 118 B16R2.3136 CCOCCSc1ncc2[nH]ncc2n1 62a_100000210147_100009843425 [1,0,0,0,0,0|3,0,0]=4 119 B16R2.3136 CCOCCSc1ncc2cc[nH]c2n1 62a_100000210147_100000059789 [1,0,0,0,0,0|2,0,1]=4 120 B16R2.3136 CCOCCSc1ncc2ccsc2n1 62a_100000210147_100009840870 [1,0,0,0,0,0|3,0,0]=4 121 B16R2.3136 CCOCCSc1ncc2nc[nH]c2n1 62a_100000210147_100000009038 [1,0,0,0,0,0|1,0,2]=4 122 B16R2.3136 CCOCCSc1ncc2sccc2n1 62a_100000210147_100000117912 [1,0,0,0,0,0|3,0,0]=4 123 B16R2.3136 CCSCCNc1ncc2[nH]ccc2n1 27a_100000106463_100009831719 [1,0,0,0,0,0|3,0,0]=4 124 B16R2.3136 CCSCCSc1cc2cc[nH]c2cn1 62a_100000757381_100009864809 [1,0,0,0,0,0|3,0,0]=4 125 B16R2.3136 CCSCCSc1cc2nc[nH]c2cn1 62a_100000757381_100000070173 [1,0,0,0,0,0|2,0,0]=3 126 B16R2.3136 CCSCCSc1ccc2[nH]ccc2n1 62a_100000757381_100000087148 [1,0,0,0,0,0|3,0,0]=4 127 B16R2.3136 CCSCCSc1ccc2[nH]cnc2c1 62a_100000757381_100011265325 [1,0,0,0,0,0|3,0,0]=4 128 B16R2.3136 CCSCCSc1ccc2[nH]nnc2n1 62a_100000757381_100000056387 [1,0,0,0,0,0|3,0,0]=4 129 B16R2.3136 CCSCCSc1ncc2[nH]ccc2n1 62a_100000757381_100009831719 [1,0,0,0,0,0|2,0,0]=3 130 B16R2.3136 CCSCCSc1ncc2[nH]ncc2n1 62a_100000757381_100009843425 [1,0,0,0,0,0|3,0,0]=4 131 B16R2.3136 CCSCCSc1ncc2cc[nH]c2n1 62a_100000757381_100000059789 [1,0,0,0,0,0|2,0,1]=4 132 B16R2.3136 CCSCCSc1ncc2ccsc2n1 62a_100000757381_100009840870 [1,0,0,0,0,0|3,0,0]=4 133 B16R2.3136 CCSCCSc1ncc2nc[nH]c2n1 62a_100000757381_100000009038 [1,0,0,0,0,0|1,0,2]=4 134 B16R2.3136 CCSCCSc1ncc2sccc2n1 62a_100000757381_100000117912 [1,0,0,0,0,0|3,0,0]=4 135 B16R2.3136 COCCCNc1ncc2[nH]ccc2n1 27a_100150723488_100009831719 [1,0,0,0,0,0|3,0,0]=4 136 B16R2.3136 COCCCSc1cc2cc[nH]c2cn1 62a_100000709357_100009864809 [1,0,0,0,0,0|3,0,0]=4 137 B16R2.3136 COCCCSc1cc2nc[nH]c2cn1 62a_100000709357_100000070173 [1,0,0,0,0,0|2,0,0]=3 138 B16R2.3136 COCCCSc1ccc2[nH]ccc2n1 62a_100000709357_100000087148 [1,0,0,0,0,0|3,0,0]=4 139 B16R2.3136 COCCCSc1ccc2[nH]cnc2c1 62a_100000709357_100011265325 [1,0,0,0,0,0|3,0,0]=4 140 B16R2.3136 COCCCSc1ccc2[nH]nnc2n1 62a_100000709357_100000056387 [1,0,0,0,0,0|3,0,0]=4 141 B16R2.3136 COCCCSc1ncc2[nH]ccc2n1 62a_100000709357_100009831719 [1,0,0,0,0,0|2,0,0]=3 142 B16R2.3136 COCCCSc1ncc2[nH]ncc2n1 62a_100000709357_100009843425 [1,0,0,0,0,0|3,0,0]=4 143 B16R2.3136 COCCCSc1ncc2cc[nH]c2n1 62a_100000709357_100000059789 [1,0,0,0,0,0|2,0,1]=4 144 B16R2.3136 COCCCSc1ncc2ccsc2n1 62a_100000709357_100009840870 [1,0,0,0,0,0|3,0,0]=4 145 B16R2.3136 COCCCSc1ncc2nc[nH]c2n1 62a_100000709357_100000009038 [1,0,0,0,0,0|1,0,2]=4 146 B16R2.3136 COCCCSc1ncc2sccc2n1 62a_100000709357_100000117912 [1,0,0,0,0,0|3,0,0]=4 147 B16R2.3136 CSCCCNc1ncc2[nH]ccc2n1 27a_100000749238_100009831719 [1,0,0,0,0,0|3,0,0]=4 148 B16R2.3136 FCCCCSc1cc2cc[nH]c2cn1 62a_100000729493_100009864809 [1,0,0,0,0,0|3,0,0]=4 149 B16R2.3136 FCCCCSc1cc2nc[nH]c2cn1 62a_100000729493_100000070173 [1,0,0,0,0,0|2,0,0]=3 150 B16R2.3136 FCCCCSc1ccc2[nH]ccc2n1 62a_100000729493_100000087148 [1,0,0,0,0,0|3,0,0]=4 151 B16R2.3136 FCCCCSc1ccc2[nH]cnc2c1 62a_100000729493_100011265325 [1,0,0,0,0,0|3,0,0]=4 152 B16R2.3136 FCCCCSc1ccc2[nH]nnc2n1 62a_100000729493_100000056387 [1,0,0,0,0,0|3,0,0]=4 153 B16R2.3136 FCCCCSc1ncc2[nH]ccc2n1 62a_100000729493_100009831719 [1,0,0,0,0,0|2,0,0]=3 154 B16R2.3136 FCCCCSc1ncc2[nH]ncc2n1 62a_100000729493_100009843425 [1,0,0,0,0,0|3,0,0]=4 155 B16R2.3136 FCCCCSc1ncc2cc[nH]c2n1 62a_100000729493_100000059789 [1,0,0,0,0,0|2,0,1]=4 156 B16R2.3136 FCCCCSc1ncc2ccsc2n1 62a_100000729493_100009840870 [1,0,0,0,0,0|3,0,0]=4 157 B16R2.3136 FCCCCSc1ncc2nc[nH]c2n1 62a_100000729493_100000009038 [1,0,0,0,0,0|1,0,2]=4 158 B16R2.3136 FCCCCSc1ncc2sccc2n1 62a_100000729493_100000117912 [1,0,0,0,0,0|3,0,0]=4 159 B16R2.3136 N#CCCCSc1cc2nc[nH]c2cn1 62a_100000687738_100000070173 [1,0,0,0,0,0|2,0,1]=4 160 B16R2.3136 N#CCCCSc1ncc2[nH]ccc2n1 62a_100000687738_100009831719 [1,0,0,0,0,0|2,0,1]=4 161 B16R2.3136 O=CCCCSc1cc2nc[nH]c2cn1 62a_200011292268_100000070173 [1,0,0,0,0,0|2,0,1]=4 162 B16R2.3136 O=CCCCSc1ncc2[nH]ccc2n1 62a_200011292268_100009831719 [1,0,0,0,0,0|2,0,1]=4 163 B16R2.3136 OCCCCNc1ncc2[nH]ccc2n1 27a_100000750430_100009831719 [1,0,0,0,0,0|3,0,0]=4 164 B16R2.3136 OCCCCSc1cc2cc[nH]c2cn1 62a_100000210776_100009864809 [1,0,0,0,0,0|3,0,0]=4 165 B16R2.3136 OCCCCSc1cc2nc[nH]c2cn1 62a_100000210776_100000070173 [1,0,0,0,0,0|2,0,0]=3 166 B16R2.3136 OCCCCSc1ccc2[nH]ccc2n1 62a_100000210776_100000087148 [1,0,0,0,0,0|3,0,0]=4 167 B16R2.3136 OCCCCSc1ccc2[nH]cnc2c1 62a_100000210776_100011265325 [1,0,0,0,0,0|3,0,0]=4 168 B16R2.3136 OCCCCSc1ccc2[nH]nnc2n1 62a_100000210776_100000056387 [1,0,0,0,0,0|3,0,0]=4 169 B16R2.3136 OCCCCSc1ncc2[nH]ccc2n1 62a_100000210776_100009831719 [1,0,0,0,0,0|2,0,0]=3 170 B16R2.3136 OCCCCSc1ncc2[nH]ncc2n1 62a_100000210776_100009843425 [1,0,0,0,0,0|3,0,0]=4 171 B16R2.3136 OCCCCSc1ncc2cc[nH]c2n1 62a_100000210776_100000059789 [1,0,0,0,0,0|2,0,1]=4 172 B16R2.3136 OCCCCSc1ncc2ccsc2n1 62a_100000210776_100009840870 [1,0,0,0,0,0|3,0,0]=4 173 B16R2.3136 OCCCCSc1ncc2nc[nH]c2n1 62a_100000210776_100000009038 [1,0,0,0,0,0|1,0,2]=4 174 B16R2.3136 OCCCCSc1ncc2sccc2n1 62a_100000210776_100000117912 [1,0,0,0,0,0|3,0,0]=4 175 B16R2.6365 CCCCNc1nc(c2sccc2n1)O 27a_100000102301_100012177178 [1,0,0,0,0,0|3,0,0]=4 176 B16R2.6365 CCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000102301_100020644719 [1,0,0,0,0,0|1,0,2]=4 177 B16R2.6365 CCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210211_100000093496 [1,0,0,0,0,0|1,0,2]=4 178 B16R2.6365 CCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210210 [1,0,0,0,0,0|3,0,0]=4 179 B16R2.6365 CCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210211_100010207356 [1,0,0,0,0,0|1,0,2]=4 180 B16R2.6365 CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210211_100020644719 [1,0,0,0,0,0|0,0,2]=3 181 B16R2.6365 CCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000739092_100020644719 [1,0,0,0,0,0|1,0,2]=4 182 B16R2.6365 COCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000233755_100020644719 [1,0,0,0,0,0|1,0,2]=4 183 B16R2.6365 CSCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000212216_100020644719 [1,0,0,0,0,0|1,0,2]=4 184 B16R2.6365 O=c1[nH]c(nc2c1[nH]cn2)SCCCF 62a_100011934791_100020644719 [1,0,0,0,0,0|1,0,2]=4 185 B16R2.6365 O=c1[nH]c(nc2c1[nH]cn2)SCCCO 62a_100011215043_100020644719 [1,0,0,0,0,0|1,0,2]=4 186 B18R2.11451 CCCCCN(C)c1nc(c2sccc2n1)O 27a_100000223495_100012177178 [0,1,0,0,0,0|3,0,0]=4 187 B18R2.11451 CCCCCN(C)c1nc2nc[nH]c2c(=O)[nH]1 27a_100000223495_100020644719 [0,1,0,0,0,0|1,0,2]=4 188 B18R2.16190 C#CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100010269958_100020644719 [0,1,0,0,0,0|0,0,3]=4 189 B18R2.16190 C=CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215482_100020644719 [0,1,0,0,0,0|0,0,3]=4 190 B18R2.16190 CC/C=C\CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100015370543_100020644719 [0,1,0,0,0,0|0,0,3]=4 191 B18R2.16190 CCCCCC=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100000062253_100009812310 [0,1,0,0,0,0|1,0,2]=4 192 B18R2.16190 CCCCCCNc1nc(c2sccc2n1)O 27a_100000210581_100012177178 [0,1,0,0,0,0|3,0,0]=4 193 B18R2.16190 CCCCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000210581_100020644719 [0,1,0,0,0,0|1,0,2]=4 194 B18R2.16190 CCCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000210314_100000093496 [0,1,0,0,0,0|1,0,2]=4 195 B18R2.16190 CCCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000210757 [0,1,0,0,0,0|3,0,0]=4 196 B18R2.16190 CCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000210314_100010207356 [0,1,0,0,0,0|1,0,2]=4 197 B18R2.16190 CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210314_100020644719 [0,1,0,0,0,0|0,0,2]=3 198 B18R2.16190 CCCCCSCc1nc(c2ccsc2n1)Cl 62a_100000210326_100011619474 [0,1,0,0,0,0|3,0,0]=4 199 B18R2.16190 CCCCCSCc1nc(c2ccsc2n1)Cl 62a_100011619474_100000210326 [0,1,0,0,0,0|3,0,0]=4 200 B18R2.16190 CCCCOCSc1nc(c2nc[nH]c2n1)C 62a_100011995733_100000093496 [0,1,0,0,0,0|1,0,2]=4 201 B18R2.16190 CCCCOCSc1nc(c2sccc2n1)N 62a_100012002325_100011995733 [0,1,0,0,0,0|3,0,0]=4 202 B18R2.16190 CCCCOCSc1nc-2ncnc2c([nH]1)Cl 62a_100011995733_100010207356 [0,1,0,0,0,0|1,0,2]=4 203 B18R2.16190 CCCCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011995733_100020644719 [0,1,0,0,0,0|0,0,2]=3 204 B18R2.16190 CCCOCCNc1nc(c2sccc2n1)O 27a_100161115042_100012177178 [0,1,0,0,0,0|3,0,0]=4 205 B18R2.16190 CCCOCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100161115042_100020644719 [0,1,0,0,0,0|1,0,2]=4 206 B18R2.16190 CCCOCCSc1nc(c2nc[nH]c2n1)C 62a_100011215938_100000093496 [0,1,0,0,0,0|1,0,2]=4 207 B18R2.16190 CCCOCCSc1nc(c2sccc2n1)N 62a_100012002325_100011215938 [0,1,0,0,0,0|3,0,0]=4 208 B18R2.16190 CCCOCCSc1nc-2ncnc2c([nH]1)Cl 62a_100011215938_100010207356 [0,1,0,0,0,0|1,0,2]=4 209 B18R2.16190 CCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215938_100020644719 [0,1,0,0,0,0|0,0,2]=3 210 B18R2.16190 CCCSCCNc1nc(c2sccc2n1)O 27a_100020603323_100012177178 [0,1,0,0,0,0|3,0,0]=4 211 B18R2.16190 CCCSCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100020603323_100020644719 [0,1,0,0,0,0|1,0,2]=4 212 B18R2.16190 CCOCCCNc1nc(c2sccc2n1)O 27a_100000210961_100012177178 [0,1,0,0,0,0|3,0,0]=4 213 B18R2.16190 CCOCCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100000210961_100020644719 [0,1,0,0,0,0|1,0,2]=4 214 B18R2.16190 CCOCCCSc1nc(c2nc[nH]c2n1)C 62a_100012232248_100000093496 [0,1,0,0,0,0|1,0,2]=4 215 B18R2.16190 CCOCCCSc1nc(c2sccc2n1)N 62a_100012002325_100012232248 [0,1,0,0,0,0|3,0,0]=4 216 B18R2.16190 CCOCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100012232248_100010207356 [0,1,0,0,0,0|1,0,2]=4 217 B18R2.16190 CCOCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012232248_100020644719 [0,1,0,0,0,0|0,0,2]=3 218 B18R2.16190 COCCCCSc1nc(c2nc[nH]c2n1)C 62a_100000730899_100000093496 [0,1,0,0,0,0|1,0,2]=4 219 B18R2.16190 COCCCCSc1nc(c2sccc2n1)N 62a_100012002325_100000730899 [0,1,0,0,0,0|3,0,0]=4 220 B18R2.16190 COCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000730899_100010207356 [0,1,0,0,0,0|1,0,2]=4 221 B18R2.16190 COCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000730899_100020644719 [0,1,0,0,0,0|0,0,2]=3 222 B18R2.16190 COCCOCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000231047_100020644719 [0,1,0,0,0,0|1,0,2]=4 223 B18R2.16190 Cc1nc(nc2c1nc[nH]2)SCCCCCF 62a_100000729378_100000093496 [0,1,0,0,0,0|1,0,2]=4 224 B18R2.16190 Cc1nc(nc2c1nc[nH]2)SCCCCCO 62a_100000746330_100000093496 [0,1,0,0,0,0|1,0,2]=4 225 B18R2.16190 FCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000729378_100010207356 [0,1,0,0,0,0|1,0,2]=4 226 B18R2.16190 N#CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011219923_100020644719 [0,1,0,0,0,0|0,0,3]=4 227 B18R2.16190 Nc1nc(nc2c1scc2)SCCCCCF 62a_100012002325_100000729378 [0,1,0,0,0,0|3,0,0]=4 228 B18R2.16190 Nc1nc(nc2c1scc2)SCCCCCO 62a_100012002325_100000746330 [0,1,0,0,0,0|3,0,0]=4 229 B18R2.16190 O=CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000139335_100020644719 [0,1,0,0,0,0|0,0,3]=4 230 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)NCCCCCO 27a_100000762737_100020644719 [0,1,0,0,0,0|1,0,2]=4 231 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCF 62a_100000729378_100020644719 [0,1,0,0,0,0|0,0,2]=3 232 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCO 62a_100000746330_100020644719 [0,1,0,0,0,0|0,0,2]=3 233 B18R2.16190 O=c1[nH]c(nc2c1[nH]cn2)SCCOCCO 62a_100011215305_100020644719 [0,1,0,0,0,0|1,0,2]=4 234 B18R2.16190 OCCCCCNc1nc(c2sccc2n1)O 27a_100000762737_100012177178 [0,1,0,0,0,0|3,0,0]=4 235 B18R2.16190 OCCCCCSc1nc-2ncnc2c([nH]1)Cl 62a_100000746330_100010207356 [0,1,0,0,0,0|1,0,2]=4 236 B18R2.63549 CC(=O)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215641_100020644719 [0,1,0,0,0,0|0,0,3]=4 237 B18R2.63549 CC(C)CCCNc1nc(c2sccc2n1)O 27a_200000737386_100012177178 [0,1,0,0,0,0|3,0,0]=4 238 B18R2.63549 CC(C)CCCNc1nc2nc[nH]c2c(=O)[nH]1 27a_200000737386_100020644719 [0,1,0,0,0,0|1,0,2]=4 239 B18R2.63549 CC(C)CCCSc1nc(c2sccc2n1)N 62a_100012002325_100011214892 [0,1,0,0,0,0|3,0,0]=4 240 B18R2.63549 CC(C)CCCSc1nc-2ncnc2c([nH]1)Cl 62a_100011214892_100010207356 [0,1,0,0,0,0|1,0,2]=4 241 B18R2.63549 CC(C)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011214892_100020644719 [0,1,0,0,0,0|0,0,2]=3 242 B18R2.63549 CC(C)OCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000211751_100020644719 [0,1,0,0,0,0|1,0,2]=4 243 B18R2.63549 CC(C)SCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000730970_100020644719 [0,1,0,0,0,0|1,0,2]=4 244 B18R2.63549 CC(O)CCCSc1nc(c2sccc2n1)N 62a_100012002325_200000718107 [0,1,0,0,0,0|3,0,0]=4 245 B18R2.63549 CC(O)CCCSc1nc-2ncnc2c([nH]1)Cl 62a_200000718107_100010207356 [0,1,0,0,0,0|1,0,2]=4 246 B18R2.63549 CC(O)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_200000718107_100020644719 [0,1,0,0,0,0|0,0,2]=3 247 B18R2.63549 Cc1nc(nc2c1nc[nH]2)SCCCC(C)C 62a_100011214892_100000093496 [0,1,0,0,0,0|1,0,2]=4 248 B18R2.63549 Cc1nc(nc2c1nc[nH]2)SCCCC(C)O 62a_200000718107_100000093496 [0,1,0,0,0,0|1,0,2]=4 249 B18R2.75311 C#CCCCSc1nc(c2[nH]ccc2n1)OC 62a_100011215417_200010292222 [0,1,0,0,0,0|1,0,2]=4 250 B18R2.75311 C#CCCCSc1nc(c2[nH]cnc2n1)NC 62a_100011215417_100102591833 [0,1,0,0,0,0|1,0,2]=4 251 B18R2.75311 C=CCCCSc1nc(c2[nH]ccc2n1)OC 62a_100011713584_200010292222 [0,1,0,0,0,0|1,0,2]=4 252 B18R2.75311 C=CCCCSc1nc(c2[nH]cnc2n1)NC 62a_100011713584_100102591833 [0,1,0,0,0,0|1,0,2]=4 253 B18R2.75311 CC/C=C\CSc1nc(c2[nH]ccc2n1)OC 62a_100103147603_200010292222 [0,1,0,0,0,0|1,0,2]=4 254 B18R2.75311 CC/C=C\CSc1nc(c2[nH]cnc2n1)NC 62a_100103147603_100102591833 [0,1,0,0,0,0|1,0,2]=4 255 B18R2.75311 CCC#CCSc1nc(c2[nH]ccc2n1)OC 62a_100009813939_200010292222 [0,1,0,0,0,0|1,0,2]=4 256 B18R2.75311 CCC#CCSc1nc(c2[nH]cnc2n1)NC 62a_100009813939_100102591833 [0,1,0,0,0,0|1,0,2]=4 257 B18R2.75311 CCCCCNc1nc(c2sccc2n1)OC 27a_100000209983_200014799438 [0,1,0,0,0,0|3,0,0]=4 258 B18R2.75311 CCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210326_200010292222 [0,1,0,0,0,0|1,0,0]=2 259 B18R2.75311 CCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210326_100102591833 [0,1,0,0,0,0|1,0,0]=2 260 B18R2.75311 CCCCCSc1nc(c2cc[nH]c2n1)SC 62a_100000210326_200009951619 [0,1,0,0,0,0|1,1,1]=4 261 B18R2.75311 CCCCCSc1nc(c2cn[nH]c2n1)OC 62a_100000210326_200013070299 [0,1,0,0,0,0|2,0,1]=4 262 B18R2.75311 CCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210326_200012279070 [0,1,0,0,0,0|0,0,2]=3 263 B18R2.75311 CCCCCSc1nc(c2sccc2n1)OC 62a_100000210326_200014799438 [0,1,0,0,0,0|2,0,0]=3 264 B18R2.75311 CCOCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210147_200010292222 [0,1,0,0,0,0|2,0,0]=3 265 B18R2.75311 CCOCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210147_100102591833 [0,1,0,0,0,0|2,0,0]=3 266 B18R2.75311 CCOCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210147_200012279070 [0,1,0,0,0,0|1,0,2]=4 267 B18R2.75311 CCOCCSc1nc(c2sccc2n1)OC 62a_100000210147_200014799438 [0,1,0,0,0,0|3,0,0]=4 268 B18R2.75311 CCSCCSc1nc(c2[nH]ccc2n1)OC 62a_100000757381_200010292222 [0,1,0,0,0,0|2,0,0]=3 269 B18R2.75311 CCSCCSc1nc(c2[nH]cnc2n1)NC 62a_100000757381_100102591833 [0,1,0,0,0,0|2,0,0]=3 270 B18R2.75311 CCSCCSc1nc(c2nc[nH]c2n1)OC 62a_100000757381_200012279070 [0,1,0,0,0,0|1,0,2]=4 271 B18R2.75311 CCSCCSc1nc(c2sccc2n1)OC 62a_100000757381_200014799438 [0,1,0,0,0,0|3,0,0]=4 272 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCC#N 62a_100000687738_100102591833 [0,1,0,0,0,0|2,0,1]=4 273 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCC=O 62a_200011292268_100102591833 [0,1,0,0,0,0|2,0,1]=4 274 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCCF 62a_100000729493_100102591833 [0,1,0,0,0,0|2,0,0]=3 275 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCCO 62a_100000210776_100102591833 [0,1,0,0,0,0|2,0,0]=3 276 B18R2.75311 CNc1nc(nc2c1[nH]cn2)SCCCOC 62a_100000709357_100102591833 [0,1,0,0,0,0|2,0,0]=3 277 B18R2.75311 COCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000709357_200010292222 [0,1,0,0,0,0|2,0,0]=3 278 B18R2.75311 COCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000709357_200012279070 [0,1,0,0,0,0|1,0,2]=4 279 B18R2.75311 COCCCSc1nc(c2sccc2n1)OC 62a_100000709357_200014799438 [0,1,0,0,0,0|3,0,0]=4 280 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCC#N 62a_100000687738_200010292222 [0,1,0,0,0,0|2,0,1]=4 281 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCC=O 62a_200011292268_200010292222 [0,1,0,0,0,0|2,0,1]=4 282 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCCF 62a_100000729493_200010292222 [0,1,0,0,0,0|2,0,0]=3 283 B18R2.75311 COc1nc(nc2c1[nH]cc2)SCCCCO 62a_100000210776_200010292222 [0,1,0,0,0,0|2,0,0]=3 284 B18R2.75311 COc1nc(nc2c1nc[nH]2)SCCCCF 62a_100000729493_200012279070 [0,1,0,0,0,0|1,0,2]=4 285 B18R2.75311 COc1nc(nc2c1nc[nH]2)SCCCCO 62a_100000210776_200012279070 [0,1,0,0,0,0|1,0,2]=4 286 B18R2.75311 COc1nc(nc2c1scc2)SCCCCF 62a_100000729493_200014799438 [0,1,0,0,0,0|3,0,0]=4 287 B18R2.75311 COc1nc(nc2c1scc2)SCCCCO 62a_100000210776_200014799438 [0,1,0,0,0,0|3,0,0]=4 288 B18R2.101432 CCC(C)CCNc1nc(c2sccc2n1)O 27a_100020591266_100012177178 [0,1,0,0,0,0|3,0,0]=4 289 B18R2.101432 CCC(C)CCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100020591266_100020644719 [0,1,0,0,0,0|1,0,2]=4 290 B18R2.123296 CCCCC(C)Nc1nc(c2sccc2n1)O 27a_100000126638_100012177178 [0,1,0,0,0,0|3,0,0]=4 291 B18R2.123296 CCCCC(C)Nc1nc2nc[nH]c2c(=O)[nH]1 27a_100000126638_100020644719 [0,1,0,0,0,0|1,0,2]=4 292 B18R2.123296 CCCCC(C)Sc1nc(c2nc[nH]c2n1)C 62a_200011215066_100000093496 [0,1,0,0,0,0|1,0,2]=4 293 B18R2.123296 CCCCC(C)Sc1nc(c2sccc2n1)N 62a_100012002325_200011215066 [0,1,0,0,0,0|3,0,0]=4 294 B18R2.123296 CCCCC(C)Sc1nc-2ncnc2c([nH]1)Cl 62a_200011215066_100010207356 [0,1,0,0,0,0|1,0,2]=4 295 B18R2.123296 CCCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200011215066_100020644719 [0,1,0,0,0,0|0,0,2]=3 296 B18R2.124436 CCCC(=O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000747444_100020644719 [0,1,0,0,0,0|0,0,3]=4 297 B18R2.124436 CCCC(C)CSc1nc(c2nc[nH]c2n1)C 62a_100011216630_100000093496 [0,1,0,0,0,0|1,0,2]=4 298 B18R2.124436 CCCC(C)CSc1nc(c2sccc2n1)N 62a_100012002325_100011216630 [0,1,0,0,0,0|3,0,0]=4 299 B18R2.124436 CCCC(C)CSc1nc-2ncnc2c([nH]1)Cl 62a_100011216630_100010207356 [0,1,0,0,0,0|1,0,2]=4 300 B18R2.124436 CCCC(C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011216630_100020644719 [0,1,0,0,0,0|0,0,2]=3 301 B18R2.124436 COCC(O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011215053_100020644719 [0,1,0,0,0,0|1,0,2]=4 302 B18R2.583015 CCCCCSc1nc2cc[nH]c2c(=O)n1C 62a_100000210326_100150720343 [0,1,0,0,0,0|1,0,2]=4 303 B18R2.1854125 C#CCCCNc1nc(c2c(n1)ncn2C)O 27a_100000718082_100000005714 [0,1,0,0,0,0|1,0,2]=4 304 B18R2.1854125 C#CCCCSc1nc(c2c(n1)ncn2C)O 62a_100011215417_100000005714 [0,1,0,0,0,0|0,0,2]=3 305 B18R2.1854125 C=CCCCNc1nc(c2c(n1)ncn2C)O 27a_100000700776_100000005714 [0,1,0,0,0,0|1,0,2]=4 306 B18R2.1854125 C=CCCCSc1nc(c2c(n1)ncn2C)O 62a_100011713584_100000005714 [0,1,0,0,0,0|0,0,2]=3 307 B18R2.1854125 C=COCCSc1nc(c2c(n1)ncn2C)O 62a_100000039644_100000005714 [0,1,0,0,0,0|1,0,2]=4 308 B18R2.1854125 CC/C=C\CSc1nc(c2c(n1)ncn2C)O 62a_100103147603_100000005714 [0,1,0,0,0,0|0,0,2]=3 309 B18R2.1854125 CCC#CCSc1nc(c2c(n1)ncn2C)O 62a_100009813939_100000005714 [0,1,0,0,0,0|0,0,2]=3 310 B18R2.1854125 CCCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016275911_100000005714 [0,1,0,0,0,0|1,0,1]=3 311 B18R2.1854125 CCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000209983_100000005714 [0,1,0,0,0,0|1,0,0]=2 312 B18R2.1854125 CCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210326_100000005714 [0,1,0,0,0,0|0,0,0]=1 313 B18R2.1854125 CCOCCNc1nc(c2c(n1)ncn2C)O 27a_100011200944_100000005714 [0,1,0,0,0,0|2,0,0]=3 314 B18R2.1854125 CCOCCSc1nc(c2c(n1)ncn2C)O 62a_100000210147_100000005714 [0,1,0,0,0,0|1,0,0]=2 315 B18R2.1854125 CCSCCNc1nc(c2c(n1)ncn2C)O 27a_100000106463_100000005714 [0,1,0,0,0,0|2,0,0]=3 316 B18R2.1854125 CCSCCSc1nc(c2c(n1)ncn2C)O 62a_100000757381_100000005714 [0,1,0,0,0,0|1,0,0]=2 317 B18R2.1854125 COCCCNc1nc(c2c(n1)ncn2C)O 27a_100150723488_100000005714 [0,1,0,0,0,0|2,0,0]=3 318 B18R2.1854125 COCCCSc1nc(c2c(n1)ncn2C)O 62a_100000709357_100000005714 [0,1,0,0,0,0|1,0,0]=2 319 B18R2.1854125 CSCCCNc1nc(c2c(n1)ncn2C)O 27a_100000749238_100000005714 [0,1,0,0,0,0|2,0,0]=3 320 B18R2.1854125 Cn1cnc2c1c(nc(n2)NCCCCO)O 27a_100000750430_100000005714 [0,1,0,0,0,0|2,0,0]=3 321 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCC#CCO)O 62a_200000047223_100000005714 [0,1,0,0,0,0|1,0,2]=4 322 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCC#N)O 62a_100000687738_100000005714 [0,1,0,0,0,0|1,0,1]=3 323 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCC=O)O 62a_200011292268_100000005714 [0,1,0,0,0,0|1,0,1]=3 324 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCCF)O 62a_100000729493_100000005714 [0,1,0,0,0,0|1,0,0]=2 325 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCCCO)O 62a_100000210776_100000005714 [0,1,0,0,0,0|1,0,0]=2 326 B18R2.1854125 Cn1cnc2c1c(nc(n2)SCCSC#N)O 62a_100000034367_100000005714 [0,1,0,0,0,0|2,0,1]=4 327 B18R3.3287 C[C@@H]1CCCN1c2nc(c3sccc3n2)O 27a_100015189458_100012177178 [0,0,0,1,0,0|3,0,0]=4 328 B18R3.3287 C[C@@H]1CCCN1c2nc3nc[nH]c3c(=O)[nH]2 27a_100015189458_100020644719 [0,0,0,1,0,0|1,0,2]=4 329 B18R3.3287 C[C@H]1CCCN1c2nc(c3sccc3n2)O 27a_100020605311_100012177178 [0,0,0,1,0,0|3,0,0]=4 330 B18R3.3287 C[C@H]1CCCN1c2nc3nc[nH]c3c(=O)[nH]2 27a_100020605311_100020644719 [0,0,0,1,0,0|1,0,2]=4 331 B18R3.100893 Cc1nc(nc2c1nc[nH]2)SC3CCCC3 62a_100011217020_100000093496 [0,0,0,1,0,0|1,0,2]=4 332 B18R3.100893 Clc1[nH]c(nc-2ncnc12)SC3CCCC3 62a_100011217020_100010207356 [0,0,0,1,0,0|1,0,2]=4 333 B18R3.100893 Nc1nc(nc2c1scc2)SC3CCCC3 62a_100012002325_100000179811 [0,0,0,1,0,0|3,0,0]=4 334 B18R3.100893 O=c1[nH]c(nc2c1[nH]cn2)NC3CCCC3 27a_100000211070_100020644719 [0,0,0,1,0,0|1,0,2]=4 335 B18R3.100893 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCC3 62a_100011217020_100020644719 [0,0,0,1,0,0|0,0,2]=3 336 B18R3.100893 Oc1nc(nc2c1scc2)NC3CCCC3 27a_100000211070_100012177178 [0,0,0,1,0,0|3,0,0]=4 337 B18R3.916107 Cc1nc(nc2c1nc[nH]2)SCCC3CC3 62a_100000764125_100000093496 [0,0,0,1,0,0|1,0,2]=4 338 B18R3.916107 Clc1[nH]c(nc-2ncnc12)SCCC3CC3 62a_100000764125_100010207356 [0,0,0,1,0,0|1,0,2]=4 339 B18R3.916107 Nc1nc(nc2c1scc2)SCCC3CC3 62a_100012002325_100000764125 [0,0,0,1,0,0|3,0,0]=4 340 B18R3.916107 O=c1[nH]c(nc2c1[nH]cn2)NCCC3CC3 27a_100000764129_100020644719 [0,0,0,1,0,0|1,0,2]=4 341 B18R3.916107 O=c1[nH]c(nc2c1[nH]cn2)SCCC3CC3 62a_100000764125_100020644719 [0,0,0,1,0,0|0,0,2]=3 342 B18R3.916107 O=c1[nH]c(nc2c1[nH]cn2)SCCC3CO3 62a_100000732470_100020644719 [0,0,0,1,0,0|1,0,2]=4 343 B18R3.916107 Oc1nc(nc2c1scc2)NCCC3CC3 27a_100000764129_100012177178 [0,0,0,1,0,0|3,0,0]=4 344 B18R3.916112 Cc1nc(nc2c1nc[nH]2)SCC3CCC3 62a_100000763275_100000093496 [0,0,0,1,0,0|1,0,2]=4 345 B18R3.916112 Clc1[nH]c(nc-2ncnc12)SCC3CCC3 62a_100000763275_100010207356 [0,0,0,1,0,0|1,0,2]=4 346 B18R3.916112 Nc1nc(nc2c1scc2)SCC3CCC3 62a_100012002325_100000763275 [0,0,0,1,0,0|3,0,0]=4 347 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)NCC3CCC3 27a_100000738700_100020644719 [0,0,0,1,0,0|1,0,2]=4 348 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCC3 62a_100000763275_100020644719 [0,0,0,1,0,0|0,0,2]=3 349 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCO3 62a_100000103362_100020644719 [0,0,0,1,0,0|1,0,2]=4 350 B18R3.916112 O=c1[nH]c(nc2c1[nH]cn2)SCC3COC3 62a_100010264016_100020644719 [0,0,0,1,0,0|1,0,2]=4 351 B18R3.916112 Oc1nc(nc2c1scc2)NCC3CCC3 27a_100000738700_100012177178 [0,0,0,1,0,0|3,0,0]=4 352 B18R2.75286 CCCCCNc1nc(c2ccccc2n1)O 27a_100000209983_100000187174 [0,0,0,0,0,1|3,0,0]=4 353 B18R2.75286 CCCCCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210326 [0,0,0,0,0,1|3,0,0]=4 354 B18R2.75286 CCCCCSc1nc(c2ccccc2n1)C 62a_100000210326_100000046098 [0,0,0,0,0,1|3,0,0]=4 355 B18R2.75286 CCCCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210326 [0,0,0,0,0,1|3,0,0]=4 356 B18R2.75286 CCCCCSc1nc(c2ccccc2n1)O 62a_100000210326_100000187174 [0,0,0,0,0,1|2,0,0]=3 357 B18R2.75286 CCOCCSc1nc(c2ccccc2n1)O 62a_100000210147_100000187174 [0,0,0,0,0,1|3,0,0]=4 358 B18R2.75286 CCSCCSc1nc(c2ccccc2n1)O 62a_100000757381_100000187174 [0,0,0,0,0,1|3,0,0]=4 359 B18R2.75286 COCCCSc1nc(c2ccccc2n1)O 62a_100000709357_100000187174 [0,0,0,0,0,1|3,0,0]=4 360 B18R2.75286 OCCCCSc1nc(c2ccccc2n1)O 62a_100000210776_100000187174 [0,0,0,0,0,1|3,0,0]=4 361 B18R2.75286 Oc1nc(nc2c1cccc2)SCCCCF 62a_100000729493_100000187174 [0,0,0,0,0,1|3,0,0]=4 362 B15R1.247 CCCCCSc1ncc(c(n1)N)C=O 62a_100000210326_100010726233 [1,0,1,0,0,0|2,0,0]=4 363 B15R1.247 CCCCCSc1ncc(c(n1)N)C=O 62a_100010726233_100000210326 [1,0,1,0,0,0|2,0,0]=4 364 B15R1.245 CCCCCSc1ncc(c(n1)OC)N 62a_100000210326_100012122185 [1,0,1,0,0,0|1,0,1]=4 365 B15R1.245 CCCCCSc1ncc(c(n1)OC)N 62a_100012122185_100000210326 [1,0,1,0,0,0|1,0,1]=4 366 B15R1.552 CCCCCSc1nc(c(c(n1)N)N)C 62a_100000210326_100011218874 [1,0,1,0,0,0|1,0,1]=4 367 B15R1.552 CCCCCSc1nc(c(c(n1)N)N)C 62a_100011218874_100000210326 [1,0,1,0,0,0|1,0,1]=4 368 B15R2.2123 CCCCNc1ncc2[nH]ccc2n1 27a_100000102301_100009831719 [2,0,0,0,0,0|2,0,0]=4 369 B15R2.2123 CCCCSc1cc2cc[nH]c2cn1 62a_100000210211_100009864809 [2,0,0,0,0,0|2,0,0]=4 370 B15R2.2123 CCCCSc1cc2nc[nH]c2cn1 62a_100000210211_100000070173 [2,0,0,0,0,0|1,0,0]=3 371 B15R2.2123 CCCCSc1ccc2[nH]ccc2n1 62a_100000210211_100000087148 [2,0,0,0,0,0|2,0,0]=4 372 B15R2.2123 CCCCSc1ccc2[nH]cnc2c1 62a_100000210211_100011265325 [2,0,0,0,0,0|2,0,0]=4 373 B15R2.2123 CCCCSc1ccc2[nH]nnc2n1 62a_100000210211_100000056387 [2,0,0,0,0,0|2,0,0]=4 374 B15R2.2123 CCCCSc1ncc2[nH]ccc2n1 62a_100000210211_100009831719 [2,0,0,0,0,0|1,0,0]=3 375 B15R2.2123 CCCCSc1ncc2[nH]ncc2n1 62a_100000210211_100009843425 [2,0,0,0,0,0|2,0,0]=4 376 B15R2.2123 CCCCSc1ncc2cc[nH]c2n1 62a_100000210211_100000059789 [2,0,0,0,0,0|1,0,1]=4 377 B15R2.2123 CCCCSc1ncc2ccsc2n1 62a_100000210211_100009840870 [2,0,0,0,0,0|2,0,0]=4 378 B15R2.2123 CCCCSc1ncc2nc[nH]c2n1 62a_100000210211_100000009038 [2,0,0,0,0,0|0,0,2]=4 379 B15R2.2123 CCCCSc1ncc2sccc2n1 62a_100000210211_100000117912 [2,0,0,0,0,0|2,0,0]=4 380 B15R2.2123 CCOCSc1cc2nc[nH]c2cn1 62a_100000739092_100000070173 [2,0,0,0,0,0|2,0,0]=4 381 B15R2.2123 CCOCSc1ncc2[nH]ccc2n1 62a_100000739092_100009831719 [2,0,0,0,0,0|2,0,0]=4 382 B15R2.2123 COCCSc1cc2nc[nH]c2cn1 62a_100000233755_100000070173 [2,0,0,0,0,0|2,0,0]=4 383 B15R2.2123 COCCSc1ncc2[nH]ccc2n1 62a_100000233755_100009831719 [2,0,0,0,0,0|2,0,0]=4 384 B15R2.2123 CSCCSc1cc2nc[nH]c2cn1 62a_100000212216_100000070173 [2,0,0,0,0,0|2,0,0]=4 385 B15R2.2123 CSCCSc1ncc2[nH]ccc2n1 62a_100000212216_100009831719 [2,0,0,0,0,0|2,0,0]=4 386 B15R2.2123 FCCCSc1cc2nc[nH]c2cn1 62a_100011934791_100000070173 [2,0,0,0,0,0|2,0,0]=4 387 B15R2.2123 FCCCSc1ncc2[nH]ccc2n1 62a_100011934791_100009831719 [2,0,0,0,0,0|2,0,0]=4 388 B15R2.2123 OCCCSc1cc2nc[nH]c2cn1 62a_100011215043_100000070173 [2,0,0,0,0,0|2,0,0]=4 389 B15R2.2123 OCCCSc1ncc2[nH]ccc2n1 62a_100011215043_100009831719 [2,0,0,0,0,0|2,0,0]=4 390 B15R2.1507 CCCCc1nc2nc[nH]c2c(=O)[nH]1 271570a_100020621405_100009812310 [2,0,0,0,0,0|0,0,2]=4 391 B15R2.1507 CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210303_100020644719 [2,0,0,0,0,0|0,0,2]=4 392 B17R1.17273 CCCCCSc1nc(c(c(n1)OC)N)OC 62a_100000095612_100000210326 [0,1,1,0,0,0|1,0,1]=4 393 B17R1.17273 CCCCCSc1nc(c(c(n1)OC)N)OC 62a_100000210326_100000095612 [0,1,1,0,0,0|1,0,1]=4 394 B17R2.2316 CCCCCN(C)c1ncc2[nH]ccc2n1 27a_100000223495_100009831719 [1,1,0,0,0,0|2,0,0]=4 395 B17R2.3769 CCCCCSc1ccc2[nH]cnc2c1C 62a_100000210326_100010009745 [1,1,0,0,0,0|2,0,0]=4 396 B17R2.7777 CCC(C)CCNc1ncc2[nH]ccc2n1 27a_100020591266_100009831719 [1,1,0,0,0,0|2,0,0]=4 397 B17R2.8766 C#CCCCCSc1cc2nc[nH]c2cn1 62a_100010269958_100000070173 [1,1,0,0,0,0|1,0,1]=4 398 B17R2.8766 C#CCCCCSc1ncc2[nH]ccc2n1 62a_100010269958_100009831719 [1,1,0,0,0,0|1,0,1]=4 399 B17R2.8766 C=CCCCCSc1cc2nc[nH]c2cn1 62a_100011215482_100000070173 [1,1,0,0,0,0|1,0,1]=4 400 B17R2.8766 C=CCCCCSc1ncc2[nH]ccc2n1 62a_100011215482_100009831719 [1,1,0,0,0,0|1,0,1]=4 401 B17R2.8766 CC/C=C\CCSc1cc2nc[nH]c2cn1 62a_100015370543_100000070173 [1,1,0,0,0,0|1,0,1]=4 402 B17R2.8766 CC/C=C\CCSc1ncc2[nH]ccc2n1 62a_100015370543_100009831719 [1,1,0,0,0,0|1,0,1]=4 403 B17R2.8766 CCCCCC=Cc1cc2nc[nH]c2cn1 271570a_100000062253_100000070173 [1,1,0,0,0,0|2,0,0]=4 404 B17R2.8766 CCCCCCNc1ncc2[nH]ccc2n1 27a_100000210581_100009831719 [1,1,0,0,0,0|2,0,0]=4 405 B17R2.8766 CCCCCCSc1cc2cc[nH]c2cn1 62a_100000210314_100009864809 [1,1,0,0,0,0|2,0,0]=4 406 B17R2.8766 CCCCCCSc1cc2nc[nH]c2cn1 62a_100000210314_100000070173 [1,1,0,0,0,0|1,0,0]=3 407 B17R2.8766 CCCCCCSc1ccc2[nH]ccc2n1 62a_100000210314_100000087148 [1,1,0,0,0,0|2,0,0]=4 408 B17R2.8766 CCCCCCSc1ccc2[nH]cnc2c1 62a_100000210314_100011265325 [1,1,0,0,0,0|2,0,0]=4 409 B17R2.8766 CCCCCCSc1ccc2[nH]nnc2n1 62a_100000210314_100000056387 [1,1,0,0,0,0|2,0,0]=4 410 B17R2.8766 CCCCCCSc1ncc2[nH]ccc2n1 62a_100000210314_100009831719 [1,1,0,0,0,0|1,0,0]=3 411 B17R2.8766 CCCCCCSc1ncc2[nH]ncc2n1 62a_100000210314_100009843425 [1,1,0,0,0,0|2,0,0]=4 412 B17R2.8766 CCCCCCSc1ncc2cc[nH]c2n1 62a_100000210314_100000059789 [1,1,0,0,0,0|1,0,1]=4 413 B17R2.8766 CCCCCCSc1ncc2ccsc2n1 62a_100000210314_100009840870 [1,1,0,0,0,0|2,0,0]=4 414 B17R2.8766 CCCCCCSc1ncc2nc[nH]c2n1 62a_100000210314_100000009038 [1,1,0,0,0,0|0,0,2]=4 415 B17R2.8766 CCCCCCSc1ncc2sccc2n1 62a_100000210314_100000117912 [1,1,0,0,0,0|2,0,0]=4 416 B17R2.8766 CCCCOCSc1cc2cc[nH]c2cn1 62a_100011995733_100009864809 [1,1,0,0,0,0|2,0,0]=4 417 B17R2.8766 CCCCOCSc1cc2nc[nH]c2cn1 62a_100011995733_100000070173 [1,1,0,0,0,0|1,0,0]=3 418 B17R2.8766 CCCCOCSc1ccc2[nH]ccc2n1 62a_100011995733_100000087148 [1,1,0,0,0,0|2,0,0]=4 419 B17R2.8766 CCCCOCSc1ccc2[nH]cnc2c1 62a_100011995733_100011265325 [1,1,0,0,0,0|2,0,0]=4 420 B17R2.8766 CCCCOCSc1ccc2[nH]nnc2n1 62a_100011995733_100000056387 [1,1,0,0,0,0|2,0,0]=4 421 B17R2.8766 CCCCOCSc1ncc2[nH]ccc2n1 62a_100011995733_100009831719 [1,1,0,0,0,0|1,0,0]=3 422 B17R2.8766 CCCCOCSc1ncc2[nH]ncc2n1 62a_100011995733_100009843425 [1,1,0,0,0,0|2,0,0]=4 423 B17R2.8766 CCCCOCSc1ncc2cc[nH]c2n1 62a_100011995733_100000059789 [1,1,0,0,0,0|1,0,1]=4 424 B17R2.8766 CCCCOCSc1ncc2ccsc2n1 62a_100011995733_100009840870 [1,1,0,0,0,0|2,0,0]=4 425 B17R2.8766 CCCCOCSc1ncc2nc[nH]c2n1 62a_100011995733_100000009038 [1,1,0,0,0,0|0,0,2]=4 426 B17R2.8766 CCCCOCSc1ncc2sccc2n1 62a_100011995733_100000117912 [1,1,0,0,0,0|2,0,0]=4 427 B17R2.8766 CCCOCCNc1ncc2[nH]ccc2n1 27a_100161115042_100009831719 [1,1,0,0,0,0|2,0,0]=4 428 B17R2.8766 CCCOCCSc1cc2cc[nH]c2cn1 62a_100011215938_100009864809 [1,1,0,0,0,0|2,0,0]=4 429 B17R2.8766 CCCOCCSc1cc2nc[nH]c2cn1 62a_100011215938_100000070173 [1,1,0,0,0,0|1,0,0]=3 430 B17R2.8766 CCCOCCSc1ccc2[nH]ccc2n1 62a_100011215938_100000087148 [1,1,0,0,0,0|2,0,0]=4 431 B17R2.8766 CCCOCCSc1ccc2[nH]cnc2c1 62a_100011215938_100011265325 [1,1,0,0,0,0|2,0,0]=4 432 B17R2.8766 CCCOCCSc1ccc2[nH]nnc2n1 62a_100011215938_100000056387 [1,1,0,0,0,0|2,0,0]=4 433 B17R2.8766 CCCOCCSc1ncc2[nH]ccc2n1 62a_100011215938_100009831719 [1,1,0,0,0,0|1,0,0]=3 434 B17R2.8766 CCCOCCSc1ncc2[nH]ncc2n1 62a_100011215938_100009843425 [1,1,0,0,0,0|2,0,0]=4 435 B17R2.8766 CCCOCCSc1ncc2cc[nH]c2n1 62a_100011215938_100000059789 [1,1,0,0,0,0|1,0,1]=4 436 B17R2.8766 CCCOCCSc1ncc2ccsc2n1 62a_100011215938_100009840870 [1,1,0,0,0,0|2,0,0]=4 437 B17R2.8766 CCCOCCSc1ncc2nc[nH]c2n1 62a_100011215938_100000009038 [1,1,0,0,0,0|0,0,2]=4 438 B17R2.8766 CCCOCCSc1ncc2sccc2n1 62a_100011215938_100000117912 [1,1,0,0,0,0|2,0,0]=4 439 B17R2.8766 CCCSCCNc1ncc2[nH]ccc2n1 27a_100020603323_100009831719 [1,1,0,0,0,0|2,0,0]=4 440 B17R2.8766 CCOCCCNc1ncc2[nH]ccc2n1 27a_100000210961_100009831719 [1,1,0,0,0,0|2,0,0]=4 441 B17R2.8766 CCOCCCSc1cc2cc[nH]c2cn1 62a_100012232248_100009864809 [1,1,0,0,0,0|2,0,0]=4 442 B17R2.8766 CCOCCCSc1cc2nc[nH]c2cn1 62a_100012232248_100000070173 [1,1,0,0,0,0|1,0,0]=3 443 B17R2.8766 CCOCCCSc1ccc2[nH]ccc2n1 62a_100012232248_100000087148 [1,1,0,0,0,0|2,0,0]=4 444 B17R2.8766 CCOCCCSc1ccc2[nH]cnc2c1 62a_100012232248_100011265325 [1,1,0,0,0,0|2,0,0]=4 445 B17R2.8766 CCOCCCSc1ccc2[nH]nnc2n1 62a_100012232248_100000056387 [1,1,0,0,0,0|2,0,0]=4 446 B17R2.8766 CCOCCCSc1ncc2[nH]ccc2n1 62a_100012232248_100009831719 [1,1,0,0,0,0|1,0,0]=3 447 B17R2.8766 CCOCCCSc1ncc2[nH]ncc2n1 62a_100012232248_100009843425 [1,1,0,0,0,0|2,0,0]=4 448 B17R2.8766 CCOCCCSc1ncc2cc[nH]c2n1 62a_100012232248_100000059789 [1,1,0,0,0,0|1,0,1]=4 449 B17R2.8766 CCOCCCSc1ncc2ccsc2n1 62a_100012232248_100009840870 [1,1,0,0,0,0|2,0,0]=4 450 B17R2.8766 CCOCCCSc1ncc2nc[nH]c2n1 62a_100012232248_100000009038 [1,1,0,0,0,0|0,0,2]=4 451 B17R2.8766 CCOCCCSc1ncc2sccc2n1 62a_100012232248_100000117912 [1,1,0,0,0,0|2,0,0]=4 452 B17R2.8766 COCCCCSc1cc2cc[nH]c2cn1 62a_100000730899_100009864809 [1,1,0,0,0,0|2,0,0]=4 453 B17R2.8766 COCCCCSc1cc2nc[nH]c2cn1 62a_100000730899_100000070173 [1,1,0,0,0,0|1,0,0]=3 454 B17R2.8766 COCCCCSc1ccc2[nH]ccc2n1 62a_100000730899_100000087148 [1,1,0,0,0,0|2,0,0]=4 455 B17R2.8766 COCCCCSc1ccc2[nH]cnc2c1 62a_100000730899_100011265325 [1,1,0,0,0,0|2,0,0]=4 456 B17R2.8766 COCCCCSc1ccc2[nH]nnc2n1 62a_100000730899_100000056387 [1,1,0,0,0,0|2,0,0]=4 457 B17R2.8766 COCCCCSc1ncc2[nH]ccc2n1 62a_100000730899_100009831719 [1,1,0,0,0,0|1,0,0]=3 458 B17R2.8766 COCCCCSc1ncc2[nH]ncc2n1 62a_100000730899_100009843425 [1,1,0,0,0,0|2,0,0]=4 459 B17R2.8766 COCCCCSc1ncc2cc[nH]c2n1 62a_100000730899_100000059789 [1,1,0,0,0,0|1,0,1]=4 460 B17R2.8766 COCCCCSc1ncc2ccsc2n1 62a_100000730899_100009840870 [1,1,0,0,0,0|2,0,0]=4 461 B17R2.8766 COCCCCSc1ncc2nc[nH]c2n1 62a_100000730899_100000009038 [1,1,0,0,0,0|0,0,2]=4 462 B17R2.8766 COCCCCSc1ncc2sccc2n1 62a_100000730899_100000117912 [1,1,0,0,0,0|2,0,0]=4 463 B17R2.8766 COCCOCSc1cc2nc[nH]c2cn1 62a_100000231047_100000070173 [1,1,0,0,0,0|2,0,0]=4 464 B17R2.8766 COCCOCSc1ncc2[nH]ccc2n1 62a_100000231047_100009831719 [1,1,0,0,0,0|2,0,0]=4 465 B17R2.8766 FCCCCCSc1cc2cc[nH]c2cn1 62a_100000729378_100009864809 [1,1,0,0,0,0|2,0,0]=4 466 B17R2.8766 FCCCCCSc1cc2nc[nH]c2cn1 62a_100000729378_100000070173 [1,1,0,0,0,0|1,0,0]=3 467 B17R2.8766 FCCCCCSc1ccc2[nH]ccc2n1 62a_100000729378_100000087148 [1,1,0,0,0,0|2,0,0]=4 468 B17R2.8766 FCCCCCSc1ccc2[nH]cnc2c1 62a_100000729378_100011265325 [1,1,0,0,0,0|2,0,0]=4 469 B17R2.8766 FCCCCCSc1ccc2[nH]nnc2n1 62a_100000729378_100000056387 [1,1,0,0,0,0|2,0,0]=4 470 B17R2.8766 FCCCCCSc1ncc2[nH]ccc2n1 62a_100000729378_100009831719 [1,1,0,0,0,0|1,0,0]=3 471 B17R2.8766 FCCCCCSc1ncc2[nH]ncc2n1 62a_100000729378_100009843425 [1,1,0,0,0,0|2,0,0]=4 472 B17R2.8766 FCCCCCSc1ncc2cc[nH]c2n1 62a_100000729378_100000059789 [1,1,0,0,0,0|1,0,1]=4 473 B17R2.8766 FCCCCCSc1ncc2ccsc2n1 62a_100000729378_100009840870 [1,1,0,0,0,0|2,0,0]=4 474 B17R2.8766 FCCCCCSc1ncc2nc[nH]c2n1 62a_100000729378_100000009038 [1,1,0,0,0,0|0,0,2]=4 475 B17R2.8766 FCCCCCSc1ncc2sccc2n1 62a_100000729378_100000117912 [1,1,0,0,0,0|2,0,0]=4 476 B17R2.8766 N#CCCCCSc1cc2nc[nH]c2cn1 62a_100011219923_100000070173 [1,1,0,0,0,0|1,0,1]=4 477 B17R2.8766 N#CCCCCSc1ncc2[nH]ccc2n1 62a_100011219923_100009831719 [1,1,0,0,0,0|1,0,1]=4 478 B17R2.8766 O=CCCCCSc1cc2nc[nH]c2cn1 62a_100000139335_100000070173 [1,1,0,0,0,0|1,0,1]=4 479 B17R2.8766 O=CCCCCSc1ncc2[nH]ccc2n1 62a_100000139335_100009831719 [1,1,0,0,0,0|1,0,1]=4 480 B17R2.8766 OCCCCCNc1ncc2[nH]ccc2n1 27a_100000762737_100009831719 [1,1,0,0,0,0|2,0,0]=4 481 B17R2.8766 OCCCCCSc1cc2cc[nH]c2cn1 62a_100000746330_100009864809 [1,1,0,0,0,0|2,0,0]=4 482 B17R2.8766 OCCCCCSc1cc2nc[nH]c2cn1 62a_100000746330_100000070173 [1,1,0,0,0,0|1,0,0]=3 483 B17R2.8766 OCCCCCSc1ccc2[nH]ccc2n1 62a_100000746330_100000087148 [1,1,0,0,0,0|2,0,0]=4 484 B17R2.8766 OCCCCCSc1ccc2[nH]cnc2c1 62a_100000746330_100011265325 [1,1,0,0,0,0|2,0,0]=4 485 B17R2.8766 OCCCCCSc1ccc2[nH]nnc2n1 62a_100000746330_100000056387 [1,1,0,0,0,0|2,0,0]=4 486 B17R2.8766 OCCCCCSc1ncc2[nH]ccc2n1 62a_100000746330_100009831719 [1,1,0,0,0,0|1,0,0]=3 487 B17R2.8766 OCCCCCSc1ncc2[nH]ncc2n1 62a_100000746330_100009843425 [1,1,0,0,0,0|2,0,0]=4 488 B17R2.8766 OCCCCCSc1ncc2cc[nH]c2n1 62a_100000746330_100000059789 [1,1,0,0,0,0|1,0,1]=4 489 B17R2.8766 OCCCCCSc1ncc2ccsc2n1 62a_100000746330_100009840870 [1,1,0,0,0,0|2,0,0]=4 490 B17R2.8766 OCCCCCSc1ncc2nc[nH]c2n1 62a_100000746330_100000009038 [1,1,0,0,0,0|0,0,2]=4 491 B17R2.8766 OCCCCCSc1ncc2sccc2n1 62a_100000746330_100000117912 [1,1,0,0,0,0|2,0,0]=4 492 B17R2.8766 OCCOCCSc1cc2nc[nH]c2cn1 62a_100011215305_100000070173 [1,1,0,0,0,0|2,0,0]=4 493 B17R2.8766 OCCOCCSc1ncc2[nH]ccc2n1 62a_100011215305_100009831719 [1,1,0,0,0,0|2,0,0]=4 494 B17R2.9648 CCCC(=O)CSc1cc2nc[nH]c2cn1 62a_100000747444_100000070173 [1,1,0,0,0,0|1,0,1]=4 495 B17R2.9648 CCCC(=O)CSc1ncc2[nH]ccc2n1 62a_100000747444_100009831719 [1,1,0,0,0,0|1,0,1]=4 496 B17R2.9648 CCCC(C)CSc1cc2cc[nH]c2cn1 62a_100011216630_100009864809 [1,1,0,0,0,0|2,0,0]=4 497 B17R2.9648 CCCC(C)CSc1cc2nc[nH]c2cn1 62a_100011216630_100000070173 [1,1,0,0,0,0|1,0,0]=3 498 B17R2.9648 CCCC(C)CSc1ccc2[nH]ccc2n1 62a_100011216630_100000087148 [1,1,0,0,0,0|2,0,0]=4 499 B17R2.9648 CCCC(C)CSc1ccc2[nH]cnc2c1 62a_100011216630_100011265325 [1,1,0,0,0,0|2,0,0]=4 500 B17R2.9648 CCCC(C)CSc1ccc2[nH]nnc2n1 62a_100011216630_100000056387 [1,1,0,0,0,0|2,0,0]=4 501 B17R2.9648 CCCC(C)CSc1ncc2[nH]ccc2n1 62a_100011216630_100009831719 [1,1,0,0,0,0|1,0,0]=3 502 B17R2.9648 CCCC(C)CSc1ncc2[nH]ncc2n1 62a_100011216630_100009843425 [1,1,0,0,0,0|2,0,0]=4 503 B17R2.9648 CCCC(C)CSc1ncc2cc[nH]c2n1 62a_100011216630_100000059789 [1,1,0,0,0,0|1,0,1]=4 504 B17R2.9648 CCCC(C)CSc1ncc2ccsc2n1 62a_100011216630_100009840870 [1,1,0,0,0,0|2,0,0]=4 505 B17R2.9648 CCCC(C)CSc1ncc2nc[nH]c2n1 62a_100011216630_100000009038 [1,1,0,0,0,0|0,0,2]=4 506 B17R2.9648 CCCC(C)CSc1ncc2sccc2n1 62a_100011216630_100000117912 [1,1,0,0,0,0|2,0,0]=4 507 B17R2.9648 COCC(O)CSc1cc2nc[nH]c2cn1 62a_100011215053_100000070173 [1,1,0,0,0,0|2,0,0]=4 508 B17R2.9648 COCC(O)CSc1ncc2[nH]ccc2n1 62a_100011215053_100009831719 [1,1,0,0,0,0|2,0,0]=4 509 B17R2.10085 CCCCC(C)Nc1ncc2[nH]ccc2n1 27a_100000126638_100009831719 [1,1,0,0,0,0|2,0,0]=4 510 B17R2.10085 CCCCC(C)Sc1cc2cc[nH]c2cn1 62a_200011215066_100009864809 [1,1,0,0,0,0|2,0,0]=4 511 B17R2.10085 CCCCC(C)Sc1cc2nc[nH]c2cn1 62a_200011215066_100000070173 [1,1,0,0,0,0|1,0,0]=3 512 B17R2.10085 CCCCC(C)Sc1ccc2[nH]ccc2n1 62a_200011215066_100000087148 [1,1,0,0,0,0|2,0,0]=4 513 B17R2.10085 CCCCC(C)Sc1ccc2[nH]cnc2c1 62a_200011215066_100011265325 [1,1,0,0,0,0|2,0,0]=4 514 B17R2.10085 CCCCC(C)Sc1ccc2[nH]nnc2n1 62a_200011215066_100000056387 [1,1,0,0,0,0|2,0,0]=4 515 B17R2.10085 CCCCC(C)Sc1ncc2[nH]ccc2n1 62a_200011215066_100009831719 [1,1,0,0,0,0|1,0,0]=3 516 B17R2.10085 CCCCC(C)Sc1ncc2[nH]ncc2n1 62a_200011215066_100009843425 [1,1,0,0,0,0|2,0,0]=4 517 B17R2.10085 CCCCC(C)Sc1ncc2cc[nH]c2n1 62a_200011215066_100000059789 [1,1,0,0,0,0|1,0,1]=4 518 B17R2.10085 CCCCC(C)Sc1ncc2ccsc2n1 62a_200011215066_100009840870 [1,1,0,0,0,0|2,0,0]=4 519 B17R2.10085 CCCCC(C)Sc1ncc2nc[nH]c2n1 62a_200011215066_100000009038 [1,1,0,0,0,0|0,0,2]=4 520 B17R2.10085 CCCCC(C)Sc1ncc2sccc2n1 62a_200011215066_100000117912 [1,1,0,0,0,0|2,0,0]=4 521 B17R2.22331 CCCCCSc1cc2c(cn1)NC(=O)C2 62a_100000210326_100000104063 [1,1,0,0,0,0|2,0,0]=4 522 B17R2.22331 CCCCCSc1cc2nc(sc2cn1)N 62a_100000210326_100009884557 [1,1,0,0,0,0|2,0,0]=4 523 B17R2.22331 CCCCCSc1cc2nc(sc2cn1)N 62a_100009884557_100000210326 [1,1,0,0,0,0|2,0,0]=4 524 B17R2.22331 CCCCCSc1ccc2[nH]c(nc2c1)C 62a_100000210326_100011264012 [1,1,0,0,0,0|2,0,0]=4 525 B17R2.22331 CCCCCSc1ccc2c(n1)CC(=O)N2 62a_100000210326_100000087150 [1,1,0,0,0,0|2,0,0]=4 526 B17R2.22331 CCCCCSc1ncc2c(n1)NC(=O)C2 62a_100000210326_100000086852 [1,1,0,0,0,0|1,0,1]=4 527 B17R2.44830 CC(=O)CCCSc1cc2nc[nH]c2cn1 62a_100011215641_100000070173 [1,1,0,0,0,0|1,0,1]=4 528 B17R2.44830 CC(=O)CCCSc1ncc2[nH]ccc2n1 62a_100011215641_100009831719 [1,1,0,0,0,0|1,0,1]=4 529 B17R2.44830 CC(C)CCCNc1ncc2[nH]ccc2n1 27a_200000737386_100009831719 [1,1,0,0,0,0|2,0,0]=4 530 B17R2.44830 CC(C)CCCSc1cc2cc[nH]c2cn1 62a_100011214892_100009864809 [1,1,0,0,0,0|2,0,0]=4 531 B17R2.44830 CC(C)CCCSc1cc2nc[nH]c2cn1 62a_100011214892_100000070173 [1,1,0,0,0,0|1,0,0]=3 532 B17R2.44830 CC(C)CCCSc1ccc2[nH]ccc2n1 62a_100011214892_100000087148 [1,1,0,0,0,0|2,0,0]=4 533 B17R2.44830 CC(C)CCCSc1ccc2[nH]cnc2c1 62a_100011214892_100011265325 [1,1,0,0,0,0|2,0,0]=4 534 B17R2.44830 CC(C)CCCSc1ccc2[nH]nnc2n1 62a_100011214892_100000056387 [1,1,0,0,0,0|2,0,0]=4 535 B17R2.44830 CC(C)CCCSc1ncc2[nH]ccc2n1 62a_100011214892_100009831719 [1,1,0,0,0,0|1,0,0]=3 536 B17R2.44830 CC(C)CCCSc1ncc2[nH]ncc2n1 62a_100011214892_100009843425 [1,1,0,0,0,0|2,0,0]=4 537 B17R2.44830 CC(C)CCCSc1ncc2cc[nH]c2n1 62a_100011214892_100000059789 [1,1,0,0,0,0|1,0,1]=4 538 B17R2.44830 CC(C)CCCSc1ncc2ccsc2n1 62a_100011214892_100009840870 [1,1,0,0,0,0|2,0,0]=4 539 B17R2.44830 CC(C)CCCSc1ncc2nc[nH]c2n1 62a_100011214892_100000009038 [1,1,0,0,0,0|0,0,2]=4 540 B17R2.44830 CC(C)CCCSc1ncc2sccc2n1 62a_100011214892_100000117912 [1,1,0,0,0,0|2,0,0]=4 541 B17R2.44830 CC(C)OCCSc1cc2nc[nH]c2cn1 62a_100000211751_100000070173 [1,1,0,0,0,0|2,0,0]=4 542 B17R2.44830 CC(C)OCCSc1ncc2[nH]ccc2n1 62a_100000211751_100009831719 [1,1,0,0,0,0|2,0,0]=4 543 B17R2.44830 CC(C)SCCSc1cc2nc[nH]c2cn1 62a_100000730970_100000070173 [1,1,0,0,0,0|2,0,0]=4 544 B17R2.44830 CC(C)SCCSc1ncc2[nH]ccc2n1 62a_100000730970_100009831719 [1,1,0,0,0,0|2,0,0]=4 545 B17R2.44830 CC(O)CCCSc1cc2cc[nH]c2cn1 62a_200000718107_100009864809 [1,1,0,0,0,0|2,0,0]=4 546 B17R2.44830 CC(O)CCCSc1cc2nc[nH]c2cn1 62a_200000718107_100000070173 [1,1,0,0,0,0|1,0,0]=3 547 B17R2.44830 CC(O)CCCSc1ccc2[nH]ccc2n1 62a_200000718107_100000087148 [1,1,0,0,0,0|2,0,0]=4 548 B17R2.44830 CC(O)CCCSc1ccc2[nH]cnc2c1 62a_200000718107_100011265325 [1,1,0,0,0,0|2,0,0]=4 549 B17R2.44830 CC(O)CCCSc1ccc2[nH]nnc2n1 62a_200000718107_100000056387 [1,1,0,0,0,0|2,0,0]=4 550 B17R2.44830 CC(O)CCCSc1ncc2[nH]ccc2n1 62a_200000718107_100009831719 [1,1,0,0,0,0|1,0,0]=3 551 B17R2.44830 CC(O)CCCSc1ncc2[nH]ncc2n1 62a_200000718107_100009843425 [1,1,0,0,0,0|2,0,0]=4 552 B17R2.44830 CC(O)CCCSc1ncc2cc[nH]c2n1 62a_200000718107_100000059789 [1,1,0,0,0,0|1,0,1]=4 553 B17R2.44830 CC(O)CCCSc1ncc2ccsc2n1 62a_200000718107_100009840870 [1,1,0,0,0,0|2,0,0]=4 554 B17R2.44830 CC(O)CCCSc1ncc2nc[nH]c2n1 62a_200000718107_100000009038 [1,1,0,0,0,0|0,0,2]=4 555 B17R2.44830 CC(O)CCCSc1ncc2sccc2n1 62a_200000718107_100000117912 [1,1,0,0,0,0|2,0,0]=4 556 B17R2.59189 CCCCCSc1cc2nc[nH]c2cc1F 62a_100000210326_100012361300 [1,1,0,0,0,0|2,0,0]=4 557 B17R2.59189 CCCCCSc1cc2nc[nH]c2cc1F 62a_100012361300_100000210326 [1,1,0,0,0,0|2,0,0]=4 558 B17R2.59189 CCCCCSc1cc2nc[nH]c2cc1N 62a_100000210326_200010336578 [1,1,0,0,0,0|2,0,0]=4 559 B17R2.59189 CCCCCSc1cc2nc[nH]c2cc1N 62a_200010336578_100000210326 [1,1,0,0,0,0|2,0,0]=4 560 B17R2.59247 CCCCCSc1ncc2ccn(c2n1)C 62a_100000210326_100009859872 [1,1,0,0,0,0|1,0,1]=4 561 B17R2.59247 CCCCCSc1ncc2ncn(c2n1)C 62a_100000210326_100000085903 [1,1,0,0,0,0|0,0,2]=4 562 B17R2.166180 CCCCCNc1ccc2c(n1)ncn2C 27a_100000209983_100010385288 [1,1,0,0,0,0|2,0,0]=4 563 B17R2.166180 CCCCCNc1ncc2c(n1)ccn2C 27a_100000209983_100010385126 [1,1,0,0,0,0|2,0,0]=4 564 B17R2.166180 CCCCCSc1cc2ncn(c2cn1)C 62a_100000210326_200010979150 [1,1,0,0,0,0|1,0,0]=3 565 B17R2.166180 CCCCCSc1ccc2c(c1)ncn2C 62a_100000210326_100000718706 [1,1,0,0,0,0|2,0,0]=4 566 B17R2.166180 CCCCCSc1ccc2c(n1)ncn2C 62a_100000210326_100010385288 [1,1,0,0,0,0|1,0,0]=3 567 B17R2.166180 CCCCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000210326 [1,1,0,0,0,0|1,0,0]=3 568 B17R2.166180 CCCCCSc1ncc2c(n1)ccn2C 62a_100000210326_100010385126 [1,1,0,0,0,0|1,0,0]=3 569 B17R2.166180 CCOCCSc1cc2ncn(c2cn1)C 62a_100000210147_200010979150 [1,1,0,0,0,0|2,0,0]=4 570 B17R2.166180 CCOCCSc1ccc2c(n1)ncn2C 62a_100000210147_100010385288 [1,1,0,0,0,0|2,0,0]=4 571 B17R2.166180 CCOCCSc1ccc2c(n1)ncn2C 62a_100010385288_100011215890 [1,1,0,0,0,0|2,0,0]=4 572 B17R2.166180 CCOCCSc1ncc2c(n1)ccn2C 62a_100000210147_100010385126 [1,1,0,0,0,0|2,0,0]=4 573 B17R2.166180 CCSCCSc1cc2ncn(c2cn1)C 62a_100000757381_200010979150 [1,1,0,0,0,0|2,0,0]=4 574 B17R2.166180 CCSCCSc1ccc2c(n1)ncn2C 62a_100000757381_100010385288 [1,1,0,0,0,0|2,0,0]=4 575 B17R2.166180 CCSCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000757381 [1,1,0,0,0,0|2,0,0]=4 576 B17R2.166180 CCSCCSc1ncc2c(n1)ccn2C 62a_100000757381_100010385126 [1,1,0,0,0,0|2,0,0]=4 577 B17R2.166180 COCCCSc1cc2ncn(c2cn1)C 62a_100000709357_200010979150 [1,1,0,0,0,0|2,0,0]=4 578 B17R2.166180 COCCCSc1ccc2c(n1)ncn2C 62a_100000709357_100010385288 [1,1,0,0,0,0|2,0,0]=4 579 B17R2.166180 COCCCSc1ccc2c(n1)ncn2C 62a_100010385288_100000709357 [1,1,0,0,0,0|2,0,0]=4 580 B17R2.166180 COCCCSc1ncc2c(n1)ccn2C 62a_100000709357_100010385126 [1,1,0,0,0,0|2,0,0]=4 581 B17R2.166180 Cn1ccc2c1cnc(n2)SCCCCF 62a_100000729493_100010385126 [1,1,0,0,0,0|2,0,0]=4 582 B17R2.166180 Cn1ccc2c1cnc(n2)SCCCCO 62a_100000210776_100010385126 [1,1,0,0,0,0|2,0,0]=4 583 B17R2.166180 Cn1cnc2c1ccc(n2)SCCCCF 62a_100000729493_100010385288 [1,1,0,0,0,0|2,0,0]=4 584 B17R2.166180 Cn1cnc2c1ccc(n2)SCCCCF 62a_100010385288_100000729493 [1,1,0,0,0,0|2,0,0]=4 585 B17R2.166180 Cn1cnc2c1ccc(n2)SCCCCO 62a_100000210776_100010385288 [1,1,0,0,0,0|2,0,0]=4 586 B17R2.166180 Cn1cnc2c1ccc(n2)SCCCCO 62a_100010385288_100000210776 [1,1,0,0,0,0|2,0,0]=4 587 B17R2.166180 Cn1cnc2c1cnc(c2)SCCCCF 62a_100000729493_200010979150 [1,1,0,0,0,0|2,0,0]=4 588 B17R2.166180 Cn1cnc2c1cnc(c2)SCCCCO 62a_100000210776_200010979150 [1,1,0,0,0,0|2,0,0]=4 589 B17R2.12097 CCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210211_200010292222 [1,1,0,0,0,0|1,0,0]=3 590 B17R2.12097 CCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210211_100102591833 [1,1,0,0,0,0|1,0,0]=3 591 B17R2.12097 CCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210211_200012279070 [1,1,0,0,0,0|0,0,2]=4 592 B17R2.12097 CCCCSc1nc(c2sccc2n1)OC 62a_100000210211_200014799438 [1,1,0,0,0,0|2,0,0]=4 593 B17R2.12097 CCOCSc1nc(c2[nH]ccc2n1)OC 62a_100000739092_200010292222 [1,1,0,0,0,0|2,0,0]=4 594 B17R2.12097 CCOCSc1nc(c2[nH]cnc2n1)NC 62a_100000739092_100102591833 [1,1,0,0,0,0|2,0,0]=4 595 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCCF 62a_100011934791_100102591833 [1,1,0,0,0,0|2,0,0]=4 596 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCCO 62a_100011215043_100102591833 [1,1,0,0,0,0|2,0,0]=4 597 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCOC 62a_100000233755_100102591833 [1,1,0,0,0,0|2,0,0]=4 598 B17R2.12097 CNc1nc(nc2c1[nH]cn2)SCCSC 62a_100000212216_100102591833 [1,1,0,0,0,0|2,0,0]=4 599 B17R2.12097 COCCSc1nc(c2[nH]ccc2n1)OC 62a_100000233755_200010292222 [1,1,0,0,0,0|2,0,0]=4 600 B17R2.12097 COc1nc(nc2c1[nH]cc2)SCCCF 62a_100011934791_200010292222 [1,1,0,0,0,0|2,0,0]=4 601 B17R2.12097 COc1nc(nc2c1[nH]cc2)SCCCO 62a_100011215043_200010292222 [1,1,0,0,0,0|2,0,0]=4 602 B17R2.12097 COc1nc(nc2c1[nH]cc2)SCCSC 62a_100000212216_200010292222 [1,1,0,0,0,0|2,0,0]=4 603 B17R2.40421 CC(C)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210312_100020644719 [1,1,0,0,0,0|0,0,2]=4 604 B17R2.40421 CC(O)CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012276601_100020644719 [1,1,0,0,0,0|0,0,2]=4 605 B17R2.49559 CCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100000766640_100020644719 [1,1,0,0,0,0|0,0,2]=4 606 B17R2.57711 CCC(C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000748023_100020644719 [1,1,0,0,0,0|0,0,2]=4 607 B17R2.57711 CCC(O)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011218378_100020644719 [1,1,0,0,0,0|0,0,2]=4 608 B17R2.57711 CC[C@H](C)CSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009816398_100020644719 [1,1,0,0,0,0|0,0,2]=4 609 B17R2.982394 C#CCCSc1nc(c2c(n1)ncn2C)O 62a_100000688953_100000005714 [1,1,0,0,0,0|0,0,2]=4 610 B17R2.982394 C/C=C/CSc1nc(c2c(n1)ncn2C)O 62a_100102629194_100000005714 [1,1,0,0,0,0|0,0,2]=4 611 B17R2.982394 C=CCCSc1nc(c2c(n1)ncn2C)O 62a_100000754431_100000005714 [1,1,0,0,0,0|0,0,2]=4 612 B17R2.982394 CC#CCSc1nc(c2c(n1)ncn2C)O 62a_100000748600_100000005714 [1,1,0,0,0,0|0,0,2]=4 613 B17R2.982394 CC=CCSc1nc(c2c(n1)ncn2C)O 62a_100000070051_100000005714 [1,1,0,0,0,0|0,0,2]=4 614 B17R2.982394 CCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100016258520_100000005714 [1,1,0,0,0,0|0,0,2]=4 615 B17R2.982394 CCCCNc1nc(c2c(n1)ncn2C)O 27a_100000102301_100000005714 [1,1,0,0,0,0|1,0,0]=3 616 B17R2.982394 CCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210211_100000005714 [1,1,0,0,0,0|0,0,0]=2 617 B17R2.982394 CCOCSc1nc(c2c(n1)ncn2C)O 62a_100000739092_100000005714 [1,1,0,0,0,0|1,0,0]=3 618 B17R2.982394 COCCNc1nc(c2c(n1)ncn2C)O 27a_100000209980_100000005714 [1,1,0,0,0,0|2,0,0]=4 619 B17R2.982394 COCCSc1nc(c2c(n1)ncn2C)O 62a_100000233755_100000005714 [1,1,0,0,0,0|1,0,0]=3 620 B17R2.982394 CSCCNc1nc(c2c(n1)ncn2C)O 27a_100020590264_100000005714 [1,1,0,0,0,0|2,0,0]=4 621 B17R2.982394 CSCCSc1nc(c2c(n1)ncn2C)O 62a_100000212216_100000005714 [1,1,0,0,0,0|1,0,0]=3 622 B17R2.982394 Cn1cnc2c1c(nc(n2)NCCCF)O 27a_100015189416_100000005714 [1,1,0,0,0,0|2,0,0]=4 623 B17R2.982394 Cn1cnc2c1c(nc(n2)NCCCO)O 27a_100000182051_100000005714 [1,1,0,0,0,0|2,0,0]=4 624 B17R2.982394 Cn1cnc2c1c(nc(n2)SCCC#N)O 62a_100011215226_100000005714 [1,1,0,0,0,0|1,0,1]=4 625 B17R2.982394 Cn1cnc2c1c(nc(n2)SCCCF)O 62a_100011934791_100000005714 [1,1,0,0,0,0|1,0,0]=3 626 B17R2.982394 Cn1cnc2c1c(nc(n2)SCCCO)O 62a_100011215043_100000005714 [1,1,0,0,0,0|1,0,0]=3 627 B19R2.46327 CCCCCSc1nc(c2ccccc2n1)OC 62a_100000210326_100000215967 [0,1,0,0,0,1|2,0,0]=4 628 B19R2.98163 CC(C)CCCSc1nc(c2ccccc2n1)O 62a_100011214892_100000187174 [0,1,0,0,0,1|2,0,0]=4 629 B19R2.98163 CC(O)CCCSc1nc(c2ccccc2n1)O 62a_200000718107_100000187174 [0,1,0,0,0,1|2,0,0]=4 630 B19R2.130347 CCCC(C)CSc1nc(c2ccccc2n1)O 62a_100011216630_100000187174 [0,1,0,0,0,1|2,0,0]=4 631 B19R2.161486 CCCCCCSc1nc(c2ccccc2n1)O 62a_100000210314_100000187174 [0,1,0,0,0,1|2,0,0]=4 632 B19R2.161486 CCCCOCSc1nc(c2ccccc2n1)O 62a_100011995733_100000187174 [0,1,0,0,0,1|2,0,0]=4 633 B19R2.161486 CCCOCCSc1nc(c2ccccc2n1)O 62a_100011215938_100000187174 [0,1,0,0,0,1|2,0,0]=4 634 B19R2.161486 CCOCCCSc1nc(c2ccccc2n1)O 62a_100012232248_100000187174 [0,1,0,0,0,1|2,0,0]=4 635 B19R2.161486 COCCCCSc1nc(c2ccccc2n1)O 62a_100000730899_100000187174 [0,1,0,0,0,1|2,0,0]=4 636 B19R2.161486 OCCCCCSc1nc(c2ccccc2n1)O 62a_100000746330_100000187174 [0,1,0,0,0,1|2,0,0]=4 637 B19R2.161486 Oc1nc(nc2c1cccc2)SCCCCCF 62a_100000729378_100000187174 [0,1,0,0,0,1|2,0,0]=4 638 B19R2.199589 CCCCC(C)Sc1nc(c2ccccc2n1)O 62a_200011215066_100000187174 [0,1,0,0,0,1|2,0,0]=4 639 B19R2.3118462 CCCCCN(C)c1nc(c2c(n1)ncn2C)O 27a_100000223495_100000005714 [0,2,0,0,0,0|1,0,0]=3 640 B19R2.3118462 CN(CCCCO)c1nc(c2c(n1)ncn2C)O 27a_100000717598_100000005714 [0,2,0,0,0,0|2,0,0]=4 641 B19R2.3118462 COCCCN(C)c1nc(c2c(n1)ncn2C)O 27a_100000224831_100000005714 [0,2,0,0,0,0|2,0,0]=4 642 B19R2.14788 CCCCCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200011218191_100020644719 [0,2,0,0,0,0|0,0,2]=4 643 B19R2.98182 CC(=O)CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000735457_100020644719 [0,2,0,0,0,0|0,0,2]=4 644 B19R2.98182 CC(C)CCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100011216152_100020644719 [0,2,0,0,0,0|0,0,2]=4 645 B19R2.116131 C#CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100012094781_100020644719 [0,2,0,0,0,0|0,0,2]=4 646 B19R2.116131 C=CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000700193_100020644719 [0,2,0,0,0,0|0,0,2]=4 647 B19R2.116131 CCCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210614_100020644719 [0,2,0,0,0,0|0,0,2]=4 648 B19R2.116131 CCCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000743108_100020644719 [0,2,0,0,0,0|0,0,2]=4 649 B19R2.116131 COCCOCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000695917_100020644719 [0,2,0,0,0,0|0,0,2]=4 650 B19R2.116131 N#CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009813376_100020644719 [0,2,0,0,0,0|0,0,2]=4 651 B19R2.116131 O=CCCCCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000139337_100020644719 [0,2,0,0,0,0|0,0,2]=4 652 B19R2.116131 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCCF 62a_100015922095_100020644719 [0,2,0,0,0,0|0,0,2]=4 653 B19R2.116131 O=c1[nH]c(nc2c1[nH]cn2)SCCCCCCO 62a_100000766143_100020644719 [0,2,0,0,0,0|0,0,2]=4 654 B19R2.161511 C#CCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100010269958_200010292222 [0,2,0,0,0,0|1,0,1]=4 655 B19R2.161511 C#CCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100010269958_100102591833 [0,2,0,0,0,0|1,0,1]=4 656 B19R2.161511 C=CCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100011215482_200010292222 [0,2,0,0,0,0|1,0,1]=4 657 B19R2.161511 C=CCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100011215482_100102591833 [0,2,0,0,0,0|1,0,1]=4 658 B19R2.161511 CC/C=C\CCSc1nc(c2[nH]ccc2n1)OC 62a_100015370543_200010292222 [0,2,0,0,0,0|1,0,1]=4 659 B19R2.161511 CC/C=C\CCSc1nc(c2[nH]cnc2n1)NC 62a_100015370543_100102591833 [0,2,0,0,0,0|1,0,1]=4 660 B19R2.161511 CCCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000210314_200010292222 [0,2,0,0,0,0|1,0,0]=3 661 B19R2.161511 CCCCCCSc1nc(c2[nH]cnc2n1)NC 62a_100000210314_100102591833 [0,2,0,0,0,0|1,0,0]=3 662 B19R2.161511 CCCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000210314_200012279070 [0,2,0,0,0,0|0,0,2]=4 663 B19R2.161511 CCCCCCSc1nc(c2sccc2n1)OC 62a_100000210314_200014799438 [0,2,0,0,0,0|2,0,0]=4 664 B19R2.161511 CCCCOCSc1nc(c2[nH]ccc2n1)OC 62a_100011995733_200010292222 [0,2,0,0,0,0|1,0,0]=3 665 B19R2.161511 CCCCOCSc1nc(c2[nH]cnc2n1)NC 62a_100011995733_100102591833 [0,2,0,0,0,0|1,0,0]=3 666 B19R2.161511 CCCCOCSc1nc(c2nc[nH]c2n1)OC 62a_100011995733_200012279070 [0,2,0,0,0,0|0,0,2]=4 667 B19R2.161511 CCCCOCSc1nc(c2sccc2n1)OC 62a_100011995733_200014799438 [0,2,0,0,0,0|2,0,0]=4 668 B19R2.161511 CCCOCCSc1nc(c2[nH]ccc2n1)OC 62a_100011215938_200010292222 [0,2,0,0,0,0|1,0,0]=3 669 B19R2.161511 CCCOCCSc1nc(c2[nH]cnc2n1)NC 62a_100011215938_100102591833 [0,2,0,0,0,0|1,0,0]=3 670 B19R2.161511 CCCOCCSc1nc(c2nc[nH]c2n1)OC 62a_100011215938_200012279070 [0,2,0,0,0,0|0,0,2]=4 671 B19R2.161511 CCCOCCSc1nc(c2sccc2n1)OC 62a_100011215938_200014799438 [0,2,0,0,0,0|2,0,0]=4 672 B19R2.161511 CCOCCCSc1nc(c2[nH]ccc2n1)OC 62a_100012232248_200010292222 [0,2,0,0,0,0|1,0,0]=3 673 B19R2.161511 CCOCCCSc1nc(c2[nH]cnc2n1)NC 62a_100012232248_100102591833 [0,2,0,0,0,0|1,0,0]=3 674 B19R2.161511 CCOCCCSc1nc(c2nc[nH]c2n1)OC 62a_100012232248_200012279070 [0,2,0,0,0,0|0,0,2]=4 675 B19R2.161511 CCOCCCSc1nc(c2sccc2n1)OC 62a_100012232248_200014799438 [0,2,0,0,0,0|2,0,0]=4 676 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCC#N 62a_100011219923_100102591833 [0,2,0,0,0,0|1,0,1]=4 677 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCC=O 62a_100000139335_100102591833 [0,2,0,0,0,0|1,0,1]=4 678 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCCF 62a_100000729378_100102591833 [0,2,0,0,0,0|1,0,0]=3 679 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCCO 62a_100000746330_100102591833 [0,2,0,0,0,0|1,0,0]=3 680 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCCCOC 62a_100000730899_100102591833 [0,2,0,0,0,0|1,0,0]=3 681 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCCOCCO 62a_100011215305_100102591833 [0,2,0,0,0,0|2,0,0]=4 682 B19R2.161511 CNc1nc(nc2c1[nH]cn2)SCOCCOC 62a_100000231047_100102591833 [0,2,0,0,0,0|2,0,0]=4 683 B19R2.161511 COCCCCSc1nc(c2[nH]ccc2n1)OC 62a_100000730899_200010292222 [0,2,0,0,0,0|1,0,0]=3 684 B19R2.161511 COCCCCSc1nc(c2nc[nH]c2n1)OC 62a_100000730899_200012279070 [0,2,0,0,0,0|0,0,2]=4 685 B19R2.161511 COCCCCSc1nc(c2sccc2n1)OC 62a_100000730899_200014799438 [0,2,0,0,0,0|2,0,0]=4 686 B19R2.161511 COCCOCSc1nc(c2[nH]ccc2n1)OC 62a_100000231047_200010292222 [0,2,0,0,0,0|2,0,0]=4 687 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCC#N 62a_100011219923_200010292222 [0,2,0,0,0,0|1,0,1]=4 688 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCC=O 62a_100000139335_200010292222 [0,2,0,0,0,0|1,0,1]=4 689 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCCF 62a_100000729378_200010292222 [0,2,0,0,0,0|1,0,0]=3 690 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCCCCO 62a_100000746330_200010292222 [0,2,0,0,0,0|1,0,0]=3 691 B19R2.161511 COc1nc(nc2c1[nH]cc2)SCCOCCO 62a_100011215305_200010292222 [0,2,0,0,0,0|2,0,0]=4 692 B19R2.161511 COc1nc(nc2c1nc[nH]2)SCCCCCF 62a_100000729378_200012279070 [0,2,0,0,0,0|0,0,2]=4 693 B19R2.161511 COc1nc(nc2c1nc[nH]2)SCCCCCO 62a_100000746330_200012279070 [0,2,0,0,0,0|0,0,2]=4 694 B19R2.161511 COc1nc(nc2c1scc2)SCCCCCF 62a_100000729378_200014799438 [0,2,0,0,0,0|2,0,0]=4 695 B19R2.161511 COc1nc(nc2c1scc2)SCCCCCO 62a_100000746330_200014799438 [0,2,0,0,0,0|2,0,0]=4 696 B19R2.2749680 C#CCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000706060_100000005714 [0,2,0,0,0,0|1,0,1]=4 697 B19R2.2749680 C#CCCCCSc1nc(c2c(n1)ncn2C)O 62a_100010269958_100000005714 [0,2,0,0,0,0|0,0,1]=3 698 B19R2.2749680 C#CCOCCSc1nc(c2c(n1)ncn2C)O 62a_100010402529_100000005714 [0,2,0,0,0,0|0,0,2]=4 699 B19R2.2749680 C=CCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000703577_100000005714 [0,2,0,0,0,0|1,0,1]=4 700 B19R2.2749680 C=CCCCCSc1nc(c2c(n1)ncn2C)O 62a_100011215482_100000005714 [0,2,0,0,0,0|0,0,1]=3 701 B19R2.2749680 CC/C=C\CCSc1nc(c2c(n1)ncn2C)O 62a_100015370543_100000005714 [0,2,0,0,0,0|0,0,1]=3 702 B19R2.2749680 CCCCCC=Cc1nc(c2c(n1)ncn2C)O 271570a_100000062253_100000005714 [0,2,0,0,0,0|1,0,0]=3 703 B19R2.2749680 CCCCCCNc1nc(c2c(n1)ncn2C)O 27a_100000210581_100000005714 [0,2,0,0,0,0|1,0,0]=3 704 B19R2.2749680 CCCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000210314_100000005714 [0,2,0,0,0,0|0,0,0]=2 705 B19R2.2749680 CCCCOCSc1nc(c2c(n1)ncn2C)O 62a_100011995733_100000005714 [0,2,0,0,0,0|0,0,0]=2 706 B19R2.2749680 CCCOCCNc1nc(c2c(n1)ncn2C)O 27a_100161115042_100000005714 [0,2,0,0,0,0|1,0,0]=3 707 B19R2.2749680 CCCOCCSc1nc(c2c(n1)ncn2C)O 62a_100011215938_100000005714 [0,2,0,0,0,0|0,0,0]=2 708 B19R2.2749680 CCCSCCNc1nc(c2c(n1)ncn2C)O 27a_100020603323_100000005714 [0,2,0,0,0,0|1,0,0]=3 709 B19R2.2749680 CCOCCCNc1nc(c2c(n1)ncn2C)O 27a_100000210961_100000005714 [0,2,0,0,0,0|1,0,0]=3 710 B19R2.2749680 CCOCCCSc1nc(c2c(n1)ncn2C)O 62a_100012232248_100000005714 [0,2,0,0,0,0|0,0,0]=2 711 B19R2.2749680 COCCCCSc1nc(c2c(n1)ncn2C)O 62a_100000730899_100000005714 [0,2,0,0,0,0|0,0,0]=2 712 B19R2.2749680 COCCOCSc1nc(c2c(n1)ncn2C)O 62a_100000231047_100000005714 [0,2,0,0,0,0|1,0,0]=3 713 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCCCC#N)O 27a_100000751965_100000005714 [0,2,0,0,0,0|1,0,1]=4 714 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCCCCO)O 27a_100000762737_100000005714 [0,2,0,0,0,0|1,0,0]=3 715 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCOCCO)O 27a_100000211614_100000005714 [0,2,0,0,0,0|2,0,0]=4 716 B19R2.2749680 Cn1cnc2c1c(nc(n2)NCCSCCO)O 27a_100011219999_100000005714 [0,2,0,0,0,0|2,0,0]=4 717 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCC#N)O 62a_100011219923_100000005714 [0,2,0,0,0,0|0,0,1]=3 718 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCC=O)O 62a_100000139335_100000005714 [0,2,0,0,0,0|0,0,1]=3 719 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCCF)O 62a_100000729378_100000005714 [0,2,0,0,0,0|0,0,0]=2 720 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCCCCO)O 62a_100000746330_100000005714 [0,2,0,0,0,0|0,0,0]=2 721 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCOCC#N)O 62a_200000047693_100000005714 [0,2,0,0,0,0|1,0,1]=4 722 B19R2.2749680 Cn1cnc2c1c(nc(n2)SCCOCCO)O 62a_100011215305_100000005714 [0,2,0,0,0,0|1,0,0]=3 723 B19R2.98183 CC(C)CCC(C)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_100011261404_100020644719 [0,2,0,0,0,0|0,0,2]=4 724 B19R2.184235 CNc1nc(nc2c1[nH]cn2)SCCCC(=O)C 62a_100011215641_100102591833 [0,2,0,0,0,0|1,0,1]=4 725 B19R2.184235 CNc1nc(nc2c1[nH]cn2)SCCCC(C)C 62a_100011214892_100102591833 [0,2,0,0,0,0|1,0,0]=3 726 B19R2.184235 CNc1nc(nc2c1[nH]cn2)SCCCC(C)O 62a_200000718107_100102591833 [0,2,0,0,0,0|1,0,0]=3 727 B19R2.184235 CNc1nc(nc2c1[nH]cn2)SCCOC(C)C 62a_100000211751_100102591833 [0,2,0,0,0,0|2,0,0]=4 728 B19R2.184235 CNc1nc(nc2c1[nH]cn2)SCCSC(C)C 62a_100000730970_100102591833 [0,2,0,0,0,0|2,0,0]=4 729 B19R2.184235 COc1nc(nc2c1[nH]cc2)SCCCC(=O)C 62a_100011215641_200010292222 [0,2,0,0,0,0|1,0,1]=4 730 B19R2.184235 COc1nc(nc2c1[nH]cc2)SCCCC(C)C 62a_100011214892_200010292222 [0,2,0,0,0,0|1,0,0]=3 731 B19R2.184235 COc1nc(nc2c1[nH]cc2)SCCCC(C)O 62a_200000718107_200010292222 [0,2,0,0,0,0|1,0,0]=3 732 B19R2.184235 COc1nc(nc2c1[nH]cc2)SCCOC(C)C 62a_100000211751_200010292222 [0,2,0,0,0,0|2,0,0]=4 733 B19R2.184235 COc1nc(nc2c1[nH]cc2)SCCSC(C)C 62a_100000730970_200010292222 [0,2,0,0,0,0|2,0,0]=4 734 B19R2.184235 COc1nc(nc2c1nc[nH]2)SCCCC(C)C 62a_100011214892_200012279070 [0,2,0,0,0,0|0,0,2]=4 735 B19R2.184235 COc1nc(nc2c1nc[nH]2)SCCCC(C)O 62a_200000718107_200012279070 [0,2,0,0,0,0|0,0,2]=4 736 B19R2.184235 COc1nc(nc2c1scc2)SCCCC(C)C 62a_100011214892_200014799438 [0,2,0,0,0,0|2,0,0]=4 737 B19R2.184235 COc1nc(nc2c1scc2)SCCCC(C)O 62a_200000718107_200014799438 [0,2,0,0,0,0|2,0,0]=4 738 B19R2.936455 CC(C)(O)CCCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100009888830_100020644719 [0,2,0,0,0,0|0,0,2]=4 739 B19R2.4891675 CC(=CCCSc1nc(c2c(n1)ncn2C)O)C 62a_100011217483_100000005714 [0,2,0,0,0,0|0,0,2]=4 740 B19R2.4891675 CC(=O)CCCSc1nc(c2c(n1)ncn2C)O 62a_100011215641_100000005714 [0,2,0,0,0,0|0,0,1]=3 741 B19R2.4891675 CC(=O)NCCSc1nc(c2c(n1)ncn2C)O 62a_100000189650_100000005714 [0,2,0,0,0,0|1,0,1]=4 742 B19R2.4891675 CC(=O)OCCSc1nc(c2c(n1)ncn2C)O 62a_100009814007_100000005714 [0,2,0,0,0,0|1,0,1]=4 743 B19R2.4891675 CC(C)CCCNc1nc(c2c(n1)ncn2C)O 27a_200000737386_100000005714 [0,2,0,0,0,0|1,0,0]=3 744 B19R2.4891675 CC(C)CCCSc1nc(c2c(n1)ncn2C)O 62a_100011214892_100000005714 [0,2,0,0,0,0|0,0,0]=2 745 B19R2.4891675 CC(C)OCCNc1nc(c2c(n1)ncn2C)O 27a_100000701111_100000005714 [0,2,0,0,0,0|2,0,0]=4 746 B19R2.4891675 CC(C)OCCSc1nc(c2c(n1)ncn2C)O 62a_100000211751_100000005714 [0,2,0,0,0,0|1,0,0]=3 747 B19R2.4891675 CC(C)SCCNc1nc(c2c(n1)ncn2C)O 27a_100000731138_100000005714 [0,2,0,0,0,0|2,0,0]=4 748 B19R2.4891675 CC(C)SCCSc1nc(c2c(n1)ncn2C)O 62a_100000730970_100000005714 [0,2,0,0,0,0|1,0,0]=3 749 B19R2.4891675 CC(O)CCCSc1nc(c2c(n1)ncn2C)O 62a_200000718107_100000005714 [0,2,0,0,0,0|0,0,0]=2 750 B19R2.4891675 CN(C)CCCNc1nc(c2c(n1)ncn2C)O 27a_102531767803_100000005714 [0,2,0,0,0,0|2,0,0]=4 751 B19R2.4891675 Cn1cnc2c1c(nc(n2)NCCCS(=O)C)O 27a_200000753449_100000005714 [0,2,0,0,0,0|2,0,0]=4 752 B19R2.4891675 Cn1cnc2c1c(nc(n2)SCCCC(=O)N)O 62a_100102525003_100000005714 [0,2,0,0,0,0|1,0,1]=4 753 B19R2.118975 CCCCCSc1nc(c2sccc2n1)OCC 62a_100000210326_100012350542 [0,2,0,0,0,0|2,0,0]=4 754 B19R2.130372 CCCC(=O)CSc1nc(c2[nH]ccc2n1)OC 62a_100000747444_200010292222 [0,2,0,0,0,0|1,0,1]=4 755 B19R2.130372 CCCC(=O)CSc1nc(c2[nH]cnc2n1)NC 62a_100000747444_100102591833 [0,2,0,0,0,0|1,0,1]=4 756 B19R2.130372 CCCC(C)CSc1nc(c2[nH]ccc2n1)OC 62a_100011216630_200010292222 [0,2,0,0,0,0|1,0,0]=3 757 B19R2.130372 CCCC(C)CSc1nc(c2[nH]cnc2n1)NC 62a_100011216630_100102591833 [0,2,0,0,0,0|1,0,0]=3 758 B19R2.130372 CCCC(C)CSc1nc(c2nc[nH]c2n1)OC 62a_100011216630_200012279070 [0,2,0,0,0,0|0,0,2]=4 759 B19R2.130372 CCCC(C)CSc1nc(c2sccc2n1)OC 62a_100011216630_200014799438 [0,2,0,0,0,0|2,0,0]=4 760 B19R2.130372 CNc1nc(nc2c1[nH]cn2)SCC(O)COC 62a_100011215053_100102591833 [0,2,0,0,0,0|2,0,0]=4 761 B19R2.130372 COCC(O)CSc1nc(c2[nH]ccc2n1)OC 62a_100011215053_200010292222 [0,2,0,0,0,0|2,0,0]=4 762 B19R2.514221 CCCCC(C)Sc1nc(c2[nH]ccc2n1)OC 62a_200011215066_200010292222 [0,2,0,0,0,0|1,0,0]=3 763 B19R2.514221 CCCCC(C)Sc1nc(c2[nH]cnc2n1)NC 62a_200011215066_100102591833 [0,2,0,0,0,0|1,0,0]=3 764 B19R2.514221 CCCCC(C)Sc1nc(c2nc[nH]c2n1)OC 62a_200011215066_200012279070 [0,2,0,0,0,0|0,0,2]=4 765 B19R2.514221 CCCCC(C)Sc1nc(c2sccc2n1)OC 62a_200011215066_200014799438 [0,2,0,0,0,0|2,0,0]=4 766 B19R2.2115221 CC(CO)CCNc1nc(c2c(n1)ncn2C)O 27a_106354213184_100000005714 [0,2,0,0,0,0|2,0,0]=4 767 B19R2.2115221 CCC(C)CCNc1nc(c2c(n1)ncn2C)O 27a_100020591266_100000005714 [0,2,0,0,0,0|1,0,0]=3 768 B19R2.2115221 CNC(=O)CCSc1nc(c2c(n1)ncn2C)O 62a_100000737683_100000005714 [0,2,0,0,0,0|1,0,1]=4 769 B19R2.2115221 COC(=O)CCSc1nc(c2c(n1)ncn2C)O 62a_100000204255_100000005714 [0,2,0,0,0,0|1,0,1]=4 770 B19R2.218793 CCCCC(CC)Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200011216223_100020644719 [0,2,0,0,0,0|0,0,2]=4 771 B19R2.2872180 CCCCC(=Cc1nc(c2c(n1)ncn2C)O)Br 271570a_206741709834_100000005714 [0,2,0,0,0,0|1,0,1]=4 772 B19R2.2872180 CCCCC(C)Nc1nc(c2c(n1)ncn2C)O 27a_100000126638_100000005714 [0,2,0,0,0,0|1,0,0]=3 773 B19R2.2872180 CCCCC(C)Sc1nc(c2c(n1)ncn2C)O 62a_200011215066_100000005714 [0,2,0,0,0,0|0,0,0]=2 774 B19R2.6653124 CCCC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_100000747444_100000005714 [0,2,0,0,0,0|0,0,1]=3 775 B19R2.6653124 CCCC(C)CSc1nc(c2c(n1)ncn2C)O 62a_100011216630_100000005714 [0,2,0,0,0,0|0,0,0]=2 776 B19R2.6653124 CCNC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_100000183381_100000005714 [0,2,0,0,0,0|1,0,1]=4 777 B19R2.6653124 CCOC(=O)CSc1nc(c2c(n1)ncn2C)O 62a_100000188475_100000005714 [0,2,0,0,0,0|1,0,1]=4 778 B19R2.6653124 COCC(O)CNc1nc(c2c(n1)ncn2C)O 27a_100000756049_100000005714 [0,2,0,0,0,0|2,0,0]=4 779 B19R2.6653124 COCC(O)CSc1nc(c2c(n1)ncn2C)O 62a_100011215053_100000005714 [0,2,0,0,0,0|1,0,0]=3 780 B19R2.6653124 Cn1cnc2c1c(nc(n2)SC[C@@H](O)CC#N)O 62a_100000001066_100000005714 [0,2,0,0,0,0|1,0,1]=4 781 B17R2.19054 CCCCCSc1ncnc2c1c(c[nH]2)C 62a_100000210326_100000092391 [0,0,1,1,0,0|2,0,0]=4 782 B17R2.19054 CCCCCSc1ncnc2c1c(c[nH]2)F 62a_100000210326_100009880486 [0,0,1,1,0,0|2,0,0]=4 783 B17R3.2958 C[C@@H]1CCCN1c2ncc3[nH]ccc3n2 27a_100015189458_100009831719 [1,0,0,1,0,0|2,0,0]=4 784 B17R3.2958 C[C@H]1CCCN1c2ncc3[nH]ccc3n2 27a_100020605311_100009831719 [1,0,0,1,0,0|2,0,0]=4 785 B17R3.7372 c1cc2[nH]nnc2nc1SCC3CCC3 62a_100000763275_100000056387 [1,0,0,1,0,0|2,0,0]=4 786 B17R3.7372 c1cc2cc(ncc2[nH]1)SCC3CCC3 62a_100000763275_100009864809 [1,0,0,1,0,0|2,0,0]=4 787 B17R3.7372 c1cc2cnc(nc2[nH]1)SCC3CCC3 62a_100000763275_100000059789 [1,0,0,1,0,0|1,0,1]=4 788 B17R3.7372 c1cc2cnc(nc2s1)SCC3CCC3 62a_100000763275_100009840870 [1,0,0,1,0,0|2,0,0]=4 789 B17R3.7372 c1cc2nc(ccc2[nH]1)SCC3CCC3 62a_100000763275_100000087148 [1,0,0,1,0,0|2,0,0]=4 790 B17R3.7372 c1cc2nc(ncc2[nH]1)NCC3CCC3 27a_100000738700_100009831719 [1,0,0,1,0,0|2,0,0]=4 791 B17R3.7372 c1cc2nc(ncc2[nH]1)SCC3CCC3 62a_100000763275_100009831719 [1,0,0,1,0,0|1,0,0]=3 792 B17R3.7372 c1cc2nc(ncc2[nH]1)SCC3CCO3 62a_100000103362_100009831719 [1,0,0,1,0,0|2,0,0]=4 793 B17R3.7372 c1cc2nc(ncc2[nH]1)SCC3COC3 62a_100010264016_100009831719 [1,0,0,1,0,0|2,0,0]=4 794 B17R3.7372 c1cc2nc(ncc2s1)SCC3CCC3 62a_100000763275_100000117912 [1,0,0,1,0,0|2,0,0]=4 795 B17R3.7372 c1n[nH]c2c1nc(nc2)SCC3CCC3 62a_100000763275_100009843425 [1,0,0,1,0,0|2,0,0]=4 796 B17R3.7372 c1nc2cc(ccc2[nH]1)SCC3CCC3 62a_100000763275_100011265325 [1,0,0,1,0,0|2,0,0]=4 797 B17R3.7372 c1nc2cc(ncc2[nH]1)SCC3CCC3 62a_100000763275_100000070173 [1,0,0,1,0,0|1,0,0]=3 798 B17R3.7372 c1nc2cc(ncc2[nH]1)SCC3CCO3 62a_100000103362_100000070173 [1,0,0,1,0,0|2,0,0]=4 799 B17R3.7372 c1nc2cc(ncc2[nH]1)SCC3COC3 62a_100010264016_100000070173 [1,0,0,1,0,0|2,0,0]=4 800 B17R3.7372 c1nc2cnc(nc2[nH]1)SCC3CCC3 62a_100000763275_100000009038 [1,0,0,1,0,0|0,0,2]=4 801 B17R3.21035 c1cc2[nH]nnc2nc1SC3CCCC3 62a_100011217020_100000056387 [1,0,0,1,0,0|2,0,0]=4 802 B17R3.21035 c1cc2cc(ncc2[nH]1)SC3CCCC3 62a_100011217020_100009864809 [1,0,0,1,0,0|2,0,0]=4 803 B17R3.21035 c1cc2cnc(nc2[nH]1)SC3CCCC3 62a_100011217020_100000059789 [1,0,0,1,0,0|1,0,1]=4 804 B17R3.21035 c1cc2cnc(nc2s1)SC3CCCC3 62a_100011217020_100009840870 [1,0,0,1,0,0|2,0,0]=4 805 B17R3.21035 c1cc2nc(ccc2[nH]1)SC3CCCC3 62a_100011217020_100000087148 [1,0,0,1,0,0|2,0,0]=4 806 B17R3.21035 c1cc2nc(ncc2[nH]1)NC3CCCC3 27a_100000211070_100009831719 [1,0,0,1,0,0|2,0,0]=4 807 B17R3.21035 c1cc2nc(ncc2[nH]1)SC3CCCC3 62a_100011217020_100009831719 [1,0,0,1,0,0|1,0,0]=3 808 B17R3.21035 c1cc2nc(ncc2s1)SC3CCCC3 62a_100011217020_100000117912 [1,0,0,1,0,0|2,0,0]=4 809 B17R3.21035 c1n[nH]c2c1nc(nc2)SC3CCCC3 62a_100011217020_100009843425 [1,0,0,1,0,0|2,0,0]=4 810 B17R3.21035 c1nc2cc(ccc2[nH]1)SC3CCCC3 62a_100011217020_100011265325 [1,0,0,1,0,0|2,0,0]=4 811 B17R3.21035 c1nc2cc(ncc2[nH]1)SC3CCCC3 62a_100011217020_100000070173 [1,0,0,1,0,0|1,0,0]=3 812 B17R3.21035 c1nc2cnc(nc2[nH]1)SC3CCCC3 62a_100011217020_100000009038 [1,0,0,1,0,0|0,0,2]=4 813 B17R3.127909 c1cc2[nH]nnc2nc1SCCC3CC3 62a_100000764125_100000056387 [1,0,0,1,0,0|2,0,0]=4 814 B17R3.127909 c1cc2cc(ncc2[nH]1)SCCC3CC3 62a_100000764125_100009864809 [1,0,0,1,0,0|2,0,0]=4 815 B17R3.127909 c1cc2cnc(nc2[nH]1)SCCC3CC3 62a_100000764125_100000059789 [1,0,0,1,0,0|1,0,1]=4 816 B17R3.127909 c1cc2cnc(nc2s1)SCCC3CC3 62a_100000764125_100009840870 [1,0,0,1,0,0|2,0,0]=4 817 B17R3.127909 c1cc2nc(ccc2[nH]1)SCCC3CC3 62a_100000764125_100000087148 [1,0,0,1,0,0|2,0,0]=4 818 B17R3.127909 c1cc2nc(ncc2[nH]1)NCCC3CC3 27a_100000764129_100009831719 [1,0,0,1,0,0|2,0,0]=4 819 B17R3.127909 c1cc2nc(ncc2[nH]1)SCCC3CC3 62a_100000764125_100009831719 [1,0,0,1,0,0|1,0,0]=3 820 B17R3.127909 c1cc2nc(ncc2[nH]1)SCCC3CO3 62a_100000732470_100009831719 [1,0,0,1,0,0|2,0,0]=4 821 B17R3.127909 c1cc2nc(ncc2s1)SCCC3CC3 62a_100000764125_100000117912 [1,0,0,1,0,0|2,0,0]=4 822 B17R3.127909 c1n[nH]c2c1nc(nc2)SCCC3CC3 62a_100000764125_100009843425 [1,0,0,1,0,0|2,0,0]=4 823 B17R3.127909 c1nc2cc(ccc2[nH]1)SCCC3CC3 62a_100000764125_100011265325 [1,0,0,1,0,0|2,0,0]=4 824 B17R3.127909 c1nc2cc(ncc2[nH]1)SCCC3CC3 62a_100000764125_100000070173 [1,0,0,1,0,0|1,0,0]=3 825 B17R3.127909 c1nc2cc(ncc2[nH]1)SCCC3CO3 62a_100000732470_100000070173 [1,0,0,1,0,0|2,0,0]=4 826 B17R3.127909 c1nc2cnc(nc2[nH]1)SCCC3CC3 62a_100000764125_100000009038 [1,0,0,1,0,0|0,0,2]=4 827 B17R3.57556 O=c1[nH]c(nc2c1[nH]cn2)SCC3CC3 62a_100000756562_100020644719 [1,0,0,1,0,0|0,0,2]=4 828 B19R3.171666 Oc1nc(nc2c1cccc2)SC3CCCC3 62a_100011217020_100000187174 [0,0,0,1,0,1|2,0,0]=4 829 B19R3.460700 Oc1nc(nc2c1cccc2)SCCC3CC3 62a_100000764125_100000187174 [0,0,0,1,0,1|2,0,0]=4 830 B19R3.460704 Oc1nc(nc2c1cccc2)SCC3CCC3 62a_100000763275_100000187174 [0,0,0,1,0,1|2,0,0]=4 831 B19R3.5299 O=c1[nH]c(nc2c1[nH]cn2)S[C@@H]3CCC[C@H]3O 62a_200016002552_100020644719 [0,1,0,1,0,0|0,0,2]=4 832 B19R3.9172 O=c1[nH]c(nc2c1[nH]cn2)SC3CCCCC3 62a_100000210327_100020644719 [0,1,0,1,0,0|0,0,2]=4 833 B19R3.171661 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCCC3 62a_100000740388_100020644719 [0,1,0,1,0,0|0,0,2]=4 834 B19R3.171661 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCCO3 62a_100000203698_100020644719 [0,1,0,1,0,0|0,0,2]=4 835 B19R3.171661 O=c1[nH]c(nc2c1[nH]cn2)SCC3CCOC3 62a_100000702531_100020644719 [0,1,0,1,0,0|0,0,2]=4 836 B19R3.460680 O=c1[nH]c(nc2c1[nH]cn2)SCCCC3CO3 62a_100000733510_100020644719 [0,1,0,1,0,0|0,0,2]=4 837 B19R3.290336 CNc1nc(nc2c1[nH]cn2)SC3CCCC3 62a_100011217020_100102591833 [0,1,0,1,0,0|1,0,0]=3 838 B19R3.290336 COc1nc(nc2c1[nH]cc2)SC3CCCC3 62a_100011217020_200010292222 [0,1,0,1,0,0|1,0,0]=3 839 B19R3.290336 COc1nc(nc2c1nc[nH]2)SC3CCCC3 62a_100011217020_200012279070 [0,1,0,1,0,0|0,0,2]=4 840 B19R3.290336 COc1nc(nc2c1scc2)SC3CCCC3 62a_100011217020_200014799438 [0,1,0,1,0,0|2,0,0]=4 841 B19R3.1437304 CNc1nc(nc2c1[nH]cn2)SCCC3CC3 62a_100000764125_100102591833 [0,1,0,1,0,0|1,0,0]=3 842 B19R3.1437304 CNc1nc(nc2c1[nH]cn2)SCCC3CO3 62a_100000732470_100102591833 [0,1,0,1,0,0|2,0,0]=4 843 B19R3.1437304 COc1nc(nc2c1[nH]cc2)SCCC3CC3 62a_100000764125_200010292222 [0,1,0,1,0,0|1,0,0]=3 844 B19R3.1437304 COc1nc(nc2c1[nH]cc2)SCCC3CO3 62a_100000732470_200010292222 [0,1,0,1,0,0|2,0,0]=4 845 B19R3.1437304 COc1nc(nc2c1nc[nH]2)SCCC3CC3 62a_100000764125_200012279070 [0,1,0,1,0,0|0,0,2]=4 846 B19R3.1437304 COc1nc(nc2c1scc2)SCCC3CC3 62a_100000764125_200014799438 [0,1,0,1,0,0|2,0,0]=4 847 B19R3.1437309 CNc1nc(nc2c1[nH]cn2)SCC3CCC3 62a_100000763275_100102591833 [0,1,0,1,0,0|1,0,0]=3 848 B19R3.1437309 CNc1nc(nc2c1[nH]cn2)SCC3CCO3 62a_100000103362_100102591833 [0,1,0,1,0,0|2,0,0]=4 849 B19R3.1437309 CNc1nc(nc2c1[nH]cn2)SCC3COC3 62a_100010264016_100102591833 [0,1,0,1,0,0|2,0,0]=4 850 B19R3.1437309 COc1nc(nc2c1[nH]cc2)SCC3CCC3 62a_100000763275_200010292222 [0,1,0,1,0,0|1,0,0]=3 851 B19R3.1437309 COc1nc(nc2c1[nH]cc2)SCC3CCO3 62a_100000103362_200010292222 [0,1,0,1,0,0|2,0,0]=4 852 B19R3.1437309 COc1nc(nc2c1[nH]cc2)SCC3COC3 62a_100010264016_200010292222 [0,1,0,1,0,0|2,0,0]=4 853 B19R3.1437309 COc1nc(nc2c1nc[nH]2)SCC3CCC3 62a_100000763275_200012279070 [0,1,0,1,0,0|0,0,2]=4 854 B19R3.1437309 COc1nc(nc2c1scc2)SCC3CCC3 62a_100000763275_200014799438 [0,1,0,1,0,0|2,0,0]=4 855 B19R3.461697 CC1(CCC1)CSc2nc3nc[nH]c3c(=O)[nH]2 62a_100000726658_100020644719 [0,1,0,1,0,0|0,0,2]=4 856 B19R3.86279 Cn1cnc2c1c(nc(n2)C3=CCCCC3)O 271570a_100000062251_100000005714 [0,1,0,1,0,0|1,0,1]=4 857 B19R3.86279 Cn1cnc2c1c(nc(n2)N3CCOCC3)O 27a_100015191051_100000005714 [0,1,0,1,0,0|2,0,0]=4 858 B19R3.86279 Cn1cnc2c1c(nc(n2)N3CCSCC3)O 27a_100000737611_100000005714 [0,1,0,1,0,0|2,0,0]=4 859 B19R3.2314934 CC1SCCN1c2nc(c3c(n2)ncn3C)O 27a_200011216479_100000005714 [0,1,0,1,0,0|2,0,0]=4 860 B19R3.2314934 C[C@@H]1CCCN1c2nc(c3c(n2)ncn3C)O 27a_100015189458_100000005714 [0,1,0,1,0,0|1,0,0]=3 861 B19R3.2314934 C[C@H]1CCCN1c2nc(c3c(n2)ncn3C)O 27a_100020605311_100000005714 [0,1,0,1,0,0|1,0,0]=3 862 B19R3.2388412 Cn1cnc2c1c(nc(n2)SC3CCC3=O)O 62a_100009892977_100000005714 [0,1,0,1,0,0|1,0,1]=4 863 B19R3.7689987 Cn1cnc2c1c(nc(n2)C=C3CCCC3)O 271570a_100010378317_100000005714 [0,1,0,1,0,0|1,0,1]=4 864 B19R3.7689987 Cn1cnc2c1c(nc(n2)NC3CCCC3)O 27a_100000211070_100000005714 [0,1,0,1,0,0|1,0,0]=3 865 B19R3.7689987 Cn1cnc2c1c(nc(n2)N[C@@H]3CCOC3)O 27a_200015188469_100000005714 [0,1,0,1,0,0|2,0,0]=4 866 B19R3.7689987 Cn1cnc2c1c(nc(n2)N[C@H]3CCOC3)O 27a_100015188467_100000005714 [0,1,0,1,0,0|2,0,0]=4 867 B19R3.7689987 Cn1cnc2c1c(nc(n2)SC3CCCC3)O 62a_100011217020_100000005714 [0,1,0,1,0,0|0,0,0]=2 868 B19R3.7691538 Cn1cnc2c1c(nc(n2)NCC3CCC3)O 27a_100000738700_100000005714 [0,1,0,1,0,0|1,0,0]=3 869 B19R3.7691538 Cn1cnc2c1c(nc(n2)NCC3COC3)O 27a_100015281925_100000005714 [0,1,0,1,0,0|2,0,0]=4 870 B19R3.7691538 Cn1cnc2c1c(nc(n2)NC[C@@H]3CCO3)O 27a_100020831831_100000005714 [0,1,0,1,0,0|2,0,0]=4 871 B19R3.7691538 Cn1cnc2c1c(nc(n2)SCC3CCC3)O 62a_100000763275_100000005714 [0,1,0,1,0,0|0,0,0]=2 872 B19R3.7691538 Cn1cnc2c1c(nc(n2)SCC3CCO3)O 62a_100000103362_100000005714 [0,1,0,1,0,0|1,0,0]=3 873 B19R3.7691538 Cn1cnc2c1c(nc(n2)SCC3COC3)O 62a_100010264016_100000005714 [0,1,0,1,0,0|1,0,0]=3 874 B19R3.7691539 Cn1cnc2c1c(nc(n2)NCCC3CC3)O 27a_100000764129_100000005714 [0,1,0,1,0,0|1,0,0]=3 875 B19R3.7691539 Cn1cnc2c1c(nc(n2)SCCC3CC3)O 62a_100000764125_100000005714 [0,1,0,1,0,0|0,0,0]=2 876 B19R3.7691539 Cn1cnc2c1c(nc(n2)SCCC3CO3)O 62a_100000732470_100000005714 [0,1,0,1,0,0|1,0,0]=3 877 B17R2.12072 CCCCSc1nc(c2ccccc2n1)O 62a_100000210211_100000187174 [1,0,0,0,0,1|2,0,0]=4 878 B17R2.46852 CCCCCSc1ncc(c2c1cc[nH]2)C 62a_100000210326_100010244391 [0,0,0,0,1,1|2,0,0]=4 879 B17R2.46852 CCCCCSc1ncc(c2c1nc[nH]2)F 62a_100000210326_100009853726 [0,0,0,0,1,1|1,0,0]=3 880 B17R2.46852 CCOCCSc1ncc(c2c1nc[nH]2)F 62a_100000210147_100009853726 [0,0,0,0,1,1|2,0,0]=4 881 B17R2.46852 CCSCCSc1ncc(c2c1nc[nH]2)F 62a_100000757381_100009853726 [0,0,0,0,1,1|2,0,0]=4 882 B17R2.46852 COCCCSc1ncc(c2c1nc[nH]2)F 62a_100000709357_100009853726 [0,0,0,0,1,1|2,0,0]=4 883 B17R2.46852 FCCCCSc1ncc(c2c1nc[nH]2)F 62a_100000729493_100009853726 [0,0,0,0,1,1|2,0,0]=4 884 B17R2.46852 OCCCCSc1ncc(c2c1nc[nH]2)F 62a_100000210776_100009853726 [0,0,0,0,1,1|2,0,0]=4