0 B24R3.702306 CCOC(=O)c1nc(nc2c1cccc2)Nc3ccccc3 27a_100000106764_100006010847 [0,1,0,0,0,0|3,0,0]=4 1 B22R2.30423 O=C(NCCO)c1ccccc1C=CCc2ccccc2 271570a_200016263579_200000158863 [0,0,1,0,0,0|3,0,0]=4 2 B22R3.42637 OCCOc1nn(c2c1cccc2)Cc3ccccc3 34a_100000047140_100000211926 [0,0,0,0,1,0|3,0,0]=4 3 B22R3.247500 C#CCNc1cc(nc2c1cccc2)c3ccccc3 27a_100000212058_200016987766 [0,0,0,0,1,0|2,0,1]=4 4 B22R3.247500 C#CCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000212058_100000261305 [0,0,0,0,1,0|1,0,1]=3 5 B22R3.247500 C#CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000038162_100000261305 [0,0,0,0,1,0|2,0,1]=4 6 B22R3.247500 C=CCNc1cc(nc2c1cccc2)c3ccccc3 27a_100020586998_200016987766 [0,0,0,0,1,0|2,0,1]=4 7 B22R3.247500 C=CCNc1nc(nc2c1cccc2)c3ccccc3 27a_100020586998_100000261305 [0,0,0,0,1,0|1,0,1]=3 8 B22R3.247500 C=CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000210623_100000261305 [0,0,0,0,1,0|2,0,1]=4 9 B22R3.247500 C=CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000210623 [0,0,0,0,1,0|2,0,1]=4 10 B22R3.247500 CCCCc1cc(nc2c1cccc2)c3ccccc3 271570a_100020621405_200016987766 [0,0,0,0,1,0|3,0,0]=4 11 B22R3.247500 CCCSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100000210303 [0,0,0,0,1,0|3,0,0]=4 12 B22R3.247500 CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000210303_100000261305 [0,0,0,0,1,0|2,0,0]=3 13 B22R3.247500 CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000210303 [0,0,0,0,1,0|2,0,0]=3 14 B22R3.247500 COCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000766300 [0,0,0,0,1,0|3,0,0]=4 15 B22R3.247500 COCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000766300_100000261305 [0,0,0,0,1,0|3,0,0]=4 16 B22R3.247500 CSCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011218213 [0,0,0,0,1,0|3,0,0]=4 17 B22R3.247500 CSCSc1nc(nc2c1cccc2)c3ccccc3 62a_100011218213_100000261305 [0,0,0,0,1,0|3,0,0]=4 18 B22R3.247500 FCCSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100011217306 [0,0,0,0,1,0|3,0,0]=4 19 B22R3.247500 FCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011217306 [0,0,0,0,1,0|2,0,0]=3 20 B22R3.247500 FCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100011217306_100000261305 [0,0,0,0,1,0|2,0,0]=3 21 B22R3.247500 N#CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011215382 [0,0,0,0,1,0|2,0,1]=4 22 B22R3.247500 N#CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100011215382_100000261305 [0,0,0,0,1,0|2,0,1]=4 23 B22R3.247500 O=CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_200015260668 [0,0,0,0,1,0|1,0,2]=4 24 B22R3.247500 O=CCSc1nc(nc2c1cccc2)c3ccccc3 62a_200015260668_100000261305 [0,0,0,0,1,0|1,0,2]=4 25 B22R3.247500 OCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100000210304_200016987766 [0,0,0,0,1,0|1,0,0]=2 26 B22R3.247500 OCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000210304_100000261305 [0,0,0,0,1,0|0,0,0]=1 27 B22R3.247500 OCCOc1cc(cc2c1cccc2)c3ccccc3 34a_100103168541_100000211926 [0,0,0,0,1,0|3,0,0]=4 28 B22R3.247500 OCCOc1cc(cc2c1cccc2)c3ccccc3 7a_100103168541_100000211926 [0,0,0,0,1,0|3,0,0]=4 29 B22R3.247500 OCCSc1cc(cc2c1cccc2)c3ccccc3 62a_100000211926_100134618259 [0,0,0,0,1,0|3,0,0]=4 30 B22R3.247500 OCCSc1cc(cc2c1cccc2)c3ccccc3 62a_100134618259_100000211926 [0,0,0,0,1,0|3,0,0]=4 31 B22R3.247500 OCCSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100000211926 [0,0,0,0,1,0|2,0,0]=3 32 B22R3.247500 OCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000211926_100000261305 [0,0,0,0,1,0|1,0,0]=2 33 B22R3.247500 OCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000211926 [0,0,0,0,1,0|1,0,0]=2 34 B21R2.416 OCCNN=C(Cc1ccccc1)Cc2ccccc2 4a_100000210001_100000211114 [1,0,1,0,0,0|2,0,0]=4 35 B21R3.37017 COc1cc(nc2c1cccc2)Nc3ccccc3 27a_100000106764_200010892118 [2,0,0,0,0,0|2,0,0]=4 36 B21R3.37017 COc1nc(nc2c1cccc2)Sc3ccccc3 62a_100000719477_100000215967 [2,0,0,0,0,0|2,0,0]=4 37 B23R2.1811 O=C(CC(=NNCCO)c1ccccc1)Nc2ccccc2 4a_100000210001_100000488670 [0,1,1,0,0,0|2,0,0]=4 38 B23R3.1977702 OCCNCc1nn(c2c1cccc2)Cc3ccccc3 2230a_100016997473_200010257341 [0,1,0,0,1,0|2,0,0]=4 39 B23R3.1977702 OCCNCc1nn(c2c1cccc2)Cc3ccccc3 34a_100016990907_200010257341 [0,1,0,0,1,0|2,0,0]=4 40 B23R3.916450 C=C(C)CNc1nc(nc2c1cccc2)c3ccccc3 27a_100000765925_100000261305 [0,1,0,0,1,0|1,0,1]=4 41 B23R3.916450 CC(C)CNc1cc(nc2c1cccc2)c3ccccc3 27a_100000210953_200016987766 [0,1,0,0,1,0|2,0,0]=4 42 B23R3.916450 CC(C)CNc1nc(nc2c1cccc2)c3ccccc3 27a_100000210953_100000261305 [0,1,0,0,1,0|1,0,0]=3 43 B23R3.916450 CC(C)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100000210624_100000261305 [0,1,0,0,1,0|2,0,0]=4 44 B23R3.916450 CC(C)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000210760 [0,1,0,0,1,0|2,0,0]=4 45 B23R3.916450 CC(O)CNc1cc(nc2c1cccc2)c3ccccc3 27a_100000210904_200016987766 [0,1,0,0,1,0|1,0,0]=3 46 B23R3.916450 CC(O)CNc1nc(nc2c1cccc2)c3ccccc3 27a_100000210904_100000261305 [0,1,0,0,1,0|0,0,0]=2 47 B23R3.916450 CC(O)CSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100011218427 [0,1,0,0,1,0|2,0,0]=4 48 B23R3.916450 CC(O)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011218427 [0,1,0,0,1,0|1,0,0]=3 49 B23R3.916450 CC(O)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100011218427_100000261305 [0,1,0,0,1,0|1,0,0]=3 50 B23R3.916450 C[C@@H](O)CSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100009817552 [0,1,0,0,1,0|2,0,0]=4 51 B23R3.916450 C[C@@H](O)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100009817552 [0,1,0,0,1,0|1,0,0]=3 52 B23R3.916450 C[C@@H](O)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100009817552_100000261305 [0,1,0,0,1,0|1,0,0]=3 53 B23R3.916450 FC(F)CNc1cc(nc2c1cccc2)c3ccccc3 27a_100000765723_200016987766 [0,1,0,0,1,0|2,0,0]=4 54 B23R3.916450 FC(F)CNc1nc(nc2c1cccc2)c3ccccc3 27a_100000765723_100000261305 [0,1,0,0,1,0|1,0,0]=3 55 B23R3.916450 FC(F)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011934356 [0,1,0,0,1,0|2,0,0]=4 56 B23R3.916450 FC(F)CSc1nc(nc2c1cccc2)c3ccccc3 62a_100011934356_100000261305 [0,1,0,0,1,0|2,0,0]=4 57 B23R3.1088350 C#CCN(C)c1nc(nc2c1cccc2)c3ccccc3 27a_100000225692_100000261305 [0,1,0,0,1,0|1,0,1]=4 58 B23R3.1088350 CCCN(C)c1cc(nc2c1cccc2)c3ccccc3 27a_100000747261_200016987766 [0,1,0,0,1,0|2,0,0]=4 59 B23R3.1088350 CCCN(C)c1nc(nc2c1cccc2)c3ccccc3 27a_100000747261_100000261305 [0,1,0,0,1,0|1,0,0]=3 60 B23R3.1088350 CN(CCO)c1cc(nc2c1cccc2)c3ccccc3 27a_100000210263_200016987766 [0,1,0,0,1,0|1,0,0]=3 61 B23R3.1088350 CN(CCO)c1nc(nc2c1cccc2)c3ccccc3 27a_100000210263_100000261305 [0,1,0,0,1,0|0,0,0]=2 62 B23R3.2044458 C#CCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100000755551_200016987766 [0,1,0,0,1,0|2,0,0]=4 63 B23R3.2044458 C#CCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000755551_100000261305 [0,1,0,0,1,0|1,0,0]=3 64 B23R3.2044458 C#CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000688953 [0,1,0,0,1,0|2,0,0]=4 65 B23R3.2044458 C#CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000688953_100000261305 [0,1,0,0,1,0|2,0,0]=4 66 B23R3.2044458 C=CCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100015191253_200016987766 [0,1,0,0,1,0|2,0,0]=4 67 B23R3.2044458 C=CCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100015191253_100000261305 [0,1,0,0,1,0|1,0,0]=3 68 B23R3.2044458 C=CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000754431 [0,1,0,0,1,0|2,0,0]=4 69 B23R3.2044458 C=CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000754431_100000261305 [0,1,0,0,1,0|2,0,0]=4 70 B23R3.2044458 CC#CCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000685387_100000261305 [0,1,0,0,1,0|1,0,1]=4 71 B23R3.2044458 CCCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100000102301_200016987766 [0,1,0,0,1,0|2,0,0]=4 72 B23R3.2044458 CCCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000102301_100000261305 [0,1,0,0,1,0|1,0,0]=3 73 B23R3.2044458 CCCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000210211_100000261305 [0,1,0,0,1,0|2,0,0]=4 74 B23R3.2044458 CCCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000210210 [0,1,0,0,1,0|2,0,0]=4 75 B23R3.2044458 CCOCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000739092 [0,1,0,0,1,0|2,0,0]=4 76 B23R3.2044458 CCOCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000739092_100000261305 [0,1,0,0,1,0|2,0,0]=4 77 B23R3.2044458 COCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100000209980_200016987766 [0,1,0,0,1,0|1,0,0]=3 78 B23R3.2044458 COCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000209980_100000261305 [0,1,0,0,1,0|0,0,0]=2 79 B23R3.2044458 COCCSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100000233755 [0,1,0,0,1,0|2,0,0]=4 80 B23R3.2044458 COCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000233755_100000261305 [0,1,0,0,1,0|1,0,0]=3 81 B23R3.2044458 COCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000233755 [0,1,0,0,1,0|1,0,0]=3 82 B23R3.2044458 CSCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100020590264_200016987766 [0,1,0,0,1,0|1,1,0]=4 83 B23R3.2044458 CSCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100020590264_100000261305 [0,1,0,0,1,0|0,1,0]=3 84 B23R3.2044458 CSCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000212216_100000261305 [0,1,0,0,1,0|1,1,0]=4 85 B23R3.2044458 CSCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000751147 [0,1,0,0,1,0|1,1,0]=4 86 B23R3.2044458 FCCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100015189416_200016987766 [0,1,0,0,1,0|2,0,0]=4 87 B23R3.2044458 FCCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100015189416_100000261305 [0,1,0,0,1,0|1,0,0]=3 88 B23R3.2044458 FCCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011934791 [0,1,0,0,1,0|2,0,0]=4 89 B23R3.2044458 FCCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100011934791_100000261305 [0,1,0,0,1,0|2,0,0]=4 90 B23R3.2044458 N#CCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100000720768_200016987766 [0,1,0,0,1,0|2,0,0]=4 91 B23R3.2044458 N#CCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000720768_100000261305 [0,1,0,0,1,0|1,0,0]=3 92 B23R3.2044458 N#CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011215226 [0,1,0,0,1,0|2,0,0]=4 93 B23R3.2044458 N#CCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100011215226_100000261305 [0,1,0,0,1,0|2,0,0]=4 94 B23R3.2044458 OCCCNc1cc(nc2c1cccc2)c3ccccc3 27a_100000182051_200016987766 [0,1,0,0,1,0|1,0,0]=3 95 B23R3.2044458 OCCCNc1nc(nc2c1cccc2)c3ccccc3 27a_100000182051_100000261305 [0,1,0,0,1,0|0,0,0]=2 96 B23R3.2044458 OCCCSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100011215043 [0,1,0,0,1,0|2,0,0]=4 97 B23R3.2044458 OCCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100011215043 [0,1,0,0,1,0|1,0,0]=3 98 B23R3.2044458 OCCCSc1nc(nc2c1cccc2)c3ccccc3 62a_100011215043_100000261305 [0,1,0,0,1,0|1,0,0]=3 99 B23R3.3063383 C#CC(C)Nc1nc(nc2c1cccc2)c3ccccc3 27a_100000707721_100000261305 [0,1,0,0,1,0|1,0,1]=4 100 B23R3.3063383 CC(CO)Sc1nc(nc2c1cccc2)c3ccccc3 62a_100012180447_100000261305 [0,1,0,0,1,0|1,0,0]=3 101 B23R3.3063383 CCC(C)Sc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000758301 [0,1,0,0,1,0|2,0,0]=4 102 B23R3.3063383 CCC(C)Sc1nc(nc2c1cccc2)c3ccccc3 62a_100000758301_100000261305 [0,1,0,0,1,0|2,0,0]=4 103 B23R3.3063383 C[C@H](CF)Nc1cc(nc2c1cccc2)c3ccccc3 27a_100102880703_200016987766 [0,1,0,0,1,0|2,0,0]=4 104 B23R3.3063383 C[C@H](CF)Nc1nc(nc2c1cccc2)c3ccccc3 27a_100102880703_100000261305 [0,1,0,0,1,0|1,0,0]=3 105 B23R3.3063383 C[C@H](CO)Nc1cc(nc2c1cccc2)c3ccccc3 27a_100000737577_200016987766 [0,1,0,0,1,0|1,0,0]=3 106 B23R3.3063383 C[C@H](CO)Nc1nc(nc2c1cccc2)c3ccccc3 27a_100000737577_100000261305 [0,1,0,0,1,0|0,0,0]=2 107 B23R3.3063383 C[C@H](CO)Sc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100016084084 [0,1,0,0,1,0|2,0,0]=4 108 B23R3.3063383 C[C@H](CO)Sc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100016084084 [0,1,0,0,1,0|1,0,0]=3 109 B23R3.3063383 C[C@H](CO)Sc1nc(nc2c1cccc2)c3ccccc3 62a_100016084084_100000261305 [0,1,0,0,1,0|1,0,0]=3 110 B23R3.1851807 OCCNCc1ccccc1Sc2nc3ccccc3[nH]2 62a_106744479749_100009814255 [0,0,1,1,0,0|1,0,1]=4 111 B23R3.89413 O=C(NCCO)c1ccccc1c2c[nH]c3c2cccc3 271570a_100012356747_200000158863 [0,0,1,1,0,0|2,0,0]=4 112 B23R4.48821069 c1ccc(cc1)c2cc(c3ccccc3n2)NC4CC4 27a_100000212008_200016987766 [0,0,0,1,1,0|2,0,0]=4 113 B23R4.48821069 c1ccc(cc1)c2nc(c3ccccc3n2)NC4CC4 27a_100000212008_100000261305 [0,0,0,1,1,0|1,0,0]=3 114 B23R4.48821069 c1ccc(cc1)c2nc(c3ccccc3n2)SC4CC4 62a_100000261305_100000211595 [0,0,0,1,1,0|2,0,0]=4 115 B23R4.48821070 c1ccc(cc1)c2cc(c3ccccc3n2)N4CCC4 27a_100000754969_200016987766 [0,0,0,1,1,0|2,0,0]=4 116 B23R4.48821070 c1ccc(cc1)c2nc(c3ccccc3n2)N4CCC4 27a_100000754969_100000261305 [0,0,0,1,1,0|1,0,0]=3 117 B21R2.5159 O=C(Nc1ccccc1)C(NCCO)c2ccccc2 2230a_100016997473_100015203697 [0,0,1,0,1,0|1,0,1]=4 118 B21R2.25556 O=C(NCCO)c1ccccc1C=Cc2ccccc2 271570a_100102527694_200000158863 [0,0,1,0,1,0|2,0,0]=4 119 B21R3.53437 CCNc1cc(nc2c1cccc2)c3ccccc3 27a_100015525214_200016987766 [1,0,0,0,1,0|1,0,0]=3 120 B21R3.53437 CCNc1nc(nc2c1cccc2)c3ccccc3 27a_100015525214_100000261305 [1,0,0,0,1,0|0,0,0]=2 121 B21R3.53437 CCSc1cc(nc2c1cccc2)c3ccccc3 62a_200016987766_100000210202 [1,0,0,0,1,0|2,0,0]=4 122 B21R3.53437 CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000210202_100000261305 [1,0,0,0,1,0|1,0,0]=3 123 B21R3.53437 CCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100000210202 [1,0,0,0,1,0|1,0,0]=3 124 B21R3.53437 FCSc1nc(nc2c1cccc2)c3ccccc3 62a_100000261305_100015361967 [1,0,0,0,1,0|2,0,0]=4 125 B21R3.53437 FCSc1nc(nc2c1cccc2)c3ccccc3 62a_100015361967_100000261305 [1,0,0,0,1,0|2,0,0]=4 126 B21R3.53441 CCOc1nc(nc2c1scc2)Nc3ccccc3 27a_100000106764_100012350542 [1,0,0,0,1,0|2,0,0]=4 127 B21R3.751 OCCNc1c(nc2n1cccn2)c3ccccc3 27a_100000210304_100010171953 [0,0,0,0,2,0|2,0,0]=4 128 B21R3.156473 OCCNc1nc(nc2c1cccc2)c3cccs3 27a_100000210304_100000184998 [0,0,0,0,2,0|1,0,0]=3 129 B21R3.156473 OCCSc1nc(nc2c1cccc2)c3cccs3 62a_100000184998_100000211926 [0,0,0,0,2,0|2,0,0]=4 130 B21R3.156473 OCCSc1nc(nc2c1cccc2)c3cccs3 62a_100000211926_100000184998 [0,0,0,0,2,0|2,0,0]=4