0 B19R3.10890 CCCn1cc(cn1)c2ccc3[nH]ncc3n2 AIFCHEM-6339425733 [0,0,0,0,0,0|3,0,0]=3 1 B19R3.10890 CCCn1cc(cn1)c2ccc3c(c2)CCN3 AIFCHEM-6294224836 [0,0,0,0,0,0|3,0,1]=4 2 B19R3.10890 CCCn1cc(cn1)c2ccc3cn[nH]c3c2 AIFCHEM-6329522704 [0,0,0,0,0,0|4,0,0]=4 3 B19R3.10890 CCCn1cc(cn1)c2ccc3occc3c2 AIFCHEM-6404769341 [0,0,0,0,0,0|4,0,0]=4 4 B19R3.10890 CCCn1cc(cn1)c2ccn3nncc3c2 AIFCHEM-6386311653 [0,0,0,0,0,0|3,0,1]=4 5 B19R3.10890 N#CCc1cc(cs1)c2ccc3[nH]ncc3c2 AIFCHEM-94549253355 [0,0,0,0,0,0|3,0,1]=4 6 B19R3.10890 OCCc1cc(no1)c2ccc3[nH]ccc3c2 AIFCHEM-6391097691 [0,0,0,0,0,0|4,0,0]=4 7 B19R3.10890 OCCc1cc(no1)c2cnc3[nH]ncc3c2 AIFCHEM-6484259514 [0,0,0,0,0,0|4,0,0]=4 8 B20R3.16239 CCCn1cc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6313822783 [0,1,0,0,0,0|2,0,0]=3 9 B20R3.16239 OCCn1cc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6312758225 [0,1,0,0,0,0|3,0,0]=4 10 B20R3.20809 COCCn1cc(cn1)c2ccc3[nH]ncc3n2 AIFCHEM-6370906165 [0,1,0,0,0,0|3,0,0]=4 11 B20R3.20809 NCCCn1cc(cn1)c2ccc3[nH]ccc3c2 AIFCHEM-94541863434 [0,1,0,0,0,0|3,0,0]=4 12 B20R3.20809 OCCCn1cc(cn1)c2ccc3[nH]ncc3c2 AIFCHEM-94549263372 [0,1,0,0,0,0|2,0,0]=3 13 B20R3.21179 CC(C)Oc1ncc(s1)c2ccc3[nH]ncc3c2 AIFCHEM-94549249232 [0,1,0,0,0,0|3,0,0]=4 14 B20R3.21179 FC(F)Cn1cc(cn1)c2ccc3[nH]ncc3c2 AIFCHEM-6383097540 [0,1,0,0,0,0|3,0,0]=4 15 B20R3.213140 CCCc1ccc(s1)c2cc(c3[nH]ncc3c2)C AIFCHEM-6432710837 [0,1,0,0,0,0|3,0,0]=4 16 B20R3.213140 CCCn1cc(cn1)c2cc(c3[nH]ccc3c2)C AIFCHEM-6296483123 [0,1,0,0,0,0|3,0,0]=4 17 B20R3.213140 CCCn1cc(cn1)c2cc(c3[nH]ccc3c2)F AIFCHEM-6366660117 [0,1,0,0,0,0|3,0,0]=4 18 B20R3.333642 CCCn1cc(cn1)c2ccc3[nH]ncc3c2C AIFCHEM-6294054706 [0,1,0,0,0,0|2,0,0]=3 19 B20R3.333642 OCCn1cc(cn1)c2ccc3[nH]ncc3c2F AIFCHEM-6433836779 [0,1,0,0,0,0|3,0,0]=4 20 B20R3.333643 CCCn1cc(cn1)c2ccc3snc(c3c2)N AIFCHEM-6093361710 [0,1,0,0,0,0|3,0,0]=4 21 B20R3.333643 Nc1n[nH]c2c1cc(cc2)c3cnn(c3)CCO AIFCHEM-6292304268 [0,1,0,0,0,0|3,0,0]=4 22 B20R3.334354 Cn1ncc2c1ccc(c2)c3cc(on3)CCO AIFCHEM-6471268825 [0,1,0,0,0,0|3,0,0]=4 23 B20R4.40797 c1cc2[nH]ncc2cc1c3cn4c(n3)CCC4 AIFCHEM-6397135551 [0,0,0,1,0,0|2,0,1]=4 24 B20R4.1724604 c1cc2[nH]ncc2cc1c3cnc([nH]3)C4CC4 AIFCHEM-94549261268 [0,0,0,1,0,0|2,0,0]=3 25 B20R4.1724604 c1cc2[nH]ncc2cc1c3noc(n3)C4CC4 AIFCHEM-94549250590 [0,0,0,1,0,0|3,0,0]=4 26 B20R4.1724604 c1cc2cc(ccc2[nH]1)c3cnn(c3)C4CC4 AIFCHEM-6470565576 [0,0,0,1,0,0|3,0,0]=4 27 B20R4.1724604 c1nn(cc1c2cc3cn[nH]c3cn2)C4CC4 AIFCHEM-6405133962 [0,0,0,1,0,0|3,0,0]=4 28 B20R4.7725571 c1cc2[nH]ncc2cc1c3cnc4n3CCC4 AIFCHEM-6288692882 [0,0,0,1,0,0|2,0,0]=3 29 B20R4.7725571 c1cc2[nH]ncc2nc1c3cnn4c3CCC4 AIFCHEM-6299844625 [0,0,0,1,0,0|3,0,0]=4 30 B20R3.2571 CCNc1ncc(cn1)c2ccc3[nH]ccc3c2 AIFCHEM-6388974132 [0,0,0,0,0,1|3,0,0]=4 31 B20R3.2571 CCOc1ccc(cc1)c2ccc3[nH]ncc3c2 AIFCHEM-94549259644 [0,0,0,0,0,1|3,0,0]=4 32 B20R3.2571 CCSc1ccc(cc1)c2ccc3[nH]ncc3c2 AIFCHEM-6365155175 [0,0,0,0,0,1|3,0,0]=4 33 B20R3.2571 CCSc1ccc(cn1)c2cc3cn[nH]c3cn2 AIFCHEM-6417993840 [0,0,0,0,0,1|3,0,0]=4 34 B20R3.2571 CCSc1ccc(cn1)c2ccc3[nH]ccc3c2 AIFCHEM-6483549520 [0,0,0,0,0,1|3,0,0]=4 35 B20R3.2571 CCSc1ccc(cn1)c2ccc3[nH]ncc3n2 AIFCHEM-6299934979 [0,0,0,0,0,1|3,0,0]=4 36 B20R3.16274 CCCn1cc(cn1)c2ccc3ccncc3c2 AIFCHEM-6471292515 [0,0,0,0,0,1|3,0,0]=4 37 B20R3.16274 CCCn1cc(cn1)c2ccc3cncnc3c2 AIFCHEM-6337466482 [0,0,0,0,0,1|3,0,0]=4 38 B20R3.16349 CCOc1cc(ccn1)c2ccc3oncc3c2 AIFCHEM-6343810475 [0,0,0,0,0,1|3,0,0]=4 39 B20R3.16349 CCOc1cc(ccn1)c2ccc3sncc3c2 AIFCHEM-6374291348 [0,0,0,0,0,1|3,0,0]=4 40 B20R3.16349 COCc1cc(ccn1)c2cnc3[nH]ncc3c2 AIFCHEM-6415040683 [0,0,0,0,0,1|3,0,0]=4 41 B20R3.16349 COCc1cncc(c1)c2ccc3sncc3c2 AIFCHEM-6365574237 [0,0,0,0,0,1|3,0,0]=4 42 B20R3.16349 COCc1cncc(c1)c2cnc3[nH]ncc3c2 AIFCHEM-6288502188 [0,0,0,0,0,1|3,0,0]=4 43 B17R3.2399 Cc1cc(no1)c2ccc3[nH]ncc3c2 AIFCHEM-94549256066 [2,0,0,0,0,0|2,0,0]=4 44 B19R3.2567 CCn1cc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6335369261 [1,1,0,0,0,0|2,0,0]=4 45 B21R3.2865 CCCc1ccc(cc1)c2cc3cn[nH]c3cc2O AIFCHEM-6288836395 [0,1,0,0,0,1|2,0,0]=4 46 B21R3.2865 CCNc1ncc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6288810000 [0,1,0,0,0,1|2,0,0]=4 47 B21R3.2865 CCOc1ccc(cn1)c2cc3cn[nH]c3cc2F AIFCHEM-6300703144 [0,1,0,0,0,1|2,0,0]=4 48 B21R3.2865 CCOc1ccc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6289005851 [0,1,0,0,0,1|2,0,0]=4 49 B21R3.2865 CCOc1ncc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6313663839 [0,1,0,0,0,1|2,0,0]=4 50 B21R3.2865 CCSc1ccc(cn1)c2cc3cn[nH]c3cc2C AIFCHEM-6336767606 [0,1,0,0,0,1|2,0,0]=4 51 B21R3.2865 CCSc1ccc(cn1)c2cc3cn[nH]c3cc2F AIFCHEM-6193851044 [0,1,0,0,0,1|2,0,0]=4 52 B21R3.2865 CCSc1ccc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6353648872 [0,1,0,0,0,1|2,0,0]=4 53 B21R3.7102 CCCNc1ncc(cn1)c2ccc3[nH]ccc3c2 AIFCHEM-6396492427 [0,1,0,0,0,1|2,0,0]=4 54 B21R3.7102 CCCNc1ncc(cn1)c2cnc3[nH]ncc3c2 AIFCHEM-6312778776 [0,1,0,0,0,1|2,0,0]=4 55 B21R3.7102 CCCOc1ccc(cn1)c2cnc3[nH]ncc3c2 AIFCHEM-6362612414 [0,1,0,0,0,1|2,0,0]=4 56 B21R3.7102 CCOCc1ccc(cc1)c2ccc3[nH]ncc3c2 AIFCHEM-94600771325 [0,1,0,0,0,1|2,0,0]=4 57 B21R3.7102 OCCNc1ccc(cn1)c2ccc3[nH]ncc3c2 AIFCHEM-6339989525 [0,1,0,0,0,1|2,0,0]=4 58 B21R3.31518 CCC(O)c1ccc(cc1)c2ccc3[nH]ncc3c2 AIFCHEM-6336849067 [0,1,0,0,0,1|2,0,0]=4 59 B21R3.43823 CCOc1ccc(cn1)c2ccc3[nH]ncc3c2N AIFCHEM-6209563905 [0,1,0,0,0,1|2,0,0]=4 60 B21R3.43823 CCOc1cnc(cn1)c2ccc3[nH]ncc3c2C AIFCHEM-6478978491 [0,1,0,0,0,1|2,0,0]=4 61 B21R3.43823 CCOc1ncc(cn1)c2ccc3[nH]ncc3c2F AIFCHEM-6365048374 [0,1,0,0,0,1|2,0,0]=4 62 B21R3.43824 CCOc1ccc(cn1)c2ccc3[nH]nc(c3c2)C AIFCHEM-6455550071 [0,1,0,0,0,1|2,0,0]=4 63 B21R3.43824 CCOc1cnc(cn1)c2ccc3[nH]nc(c3c2)C AIFCHEM-6473871209 [0,1,0,0,0,1|2,0,0]=4 64 B21R3.43824 CCOc1ncc(cn1)c2ccc3[nH]nc(c3c2)C AIFCHEM-6418060723 [0,1,0,0,0,1|2,0,0]=4 65 B21R3.44531 CCSc1ccc(cn1)c2ccc3c(c2)cnn3C AIFCHEM-6485045842 [0,1,0,0,0,1|2,0,0]=4 66 B21R3.44531 CCSc1ncc(cn1)c2ccc3c(c2)cnn3C AIFCHEM-6485415746 [0,1,0,0,0,1|2,0,0]=4 67 B21R3.44531 Cn1ncc2c1ccc(c2)c3ccc(nc3)CCO AIFCHEM-6305265434 [0,1,0,0,0,1|2,0,0]=4 68 B21R3.147922 CCCc1ccc(cc1)c2cc(c3[nH]ncc3c2)F AIFCHEM-6351177562 [0,1,0,0,0,1|2,0,0]=4 69 B21R3.147922 CCOc1ncc(cn1)c2cc(c3[nH]ncc3c2)N AIFCHEM-5866382158 [0,1,0,0,0,1|2,0,0]=4 70 B21R3.148248 CCOc1ncc(cc1C)c2ccc3[nH]ncc3c2 AIFCHEM-94549259842 [0,1,0,0,0,1|2,0,0]=4 71 B21R3.24894 CCOc1cc(ccn1)c2cc3cn[nH]c3cc2O AIFCHEM-6313906952 [0,1,0,0,0,1|2,0,0]=4 72 B21R3.24894 CCOc1cncc(c1)c2cc3cn[nH]c3cc2O AIFCHEM-6317072038 [0,1,0,0,0,1|2,0,0]=4 73 B21R3.24894 COCc1cncc(c1)c2cc3cn[nH]c3cc2C AIFCHEM-6322297515 [0,1,0,0,0,1|2,0,0]=4 74 B21R3.24894 COCc1cncc(c1)c2cc3cn[nH]c3cc2O AIFCHEM-6317453146 [0,1,0,0,0,1|2,0,0]=4 75 B21R3.31593 CC[C@@H](N)c1cccc(c1)c2ccc3[nH]ncc3c2 AIFCHEM-94549259987 [0,1,0,0,0,1|2,0,0]=4 76 B21R3.31593 CC[C@H](N)c1cccc(c1)c2ccc3[nH]ncc3c2 AIFCHEM-94549259988 [0,1,0,0,0,1|2,0,0]=4 77 B21R3.32295 CCOCc1cncc(c1)c2ccc3[nH]ccc3c2 AIFCHEM-94541809991 [0,1,0,0,0,1|2,0,0]=4 78 B21R3.529429 CCOc1cc(ccn1)c2ccc3[nH]ncc3c2F AIFCHEM-6433473797 [0,1,0,0,0,1|2,0,0]=4 79 B21R3.529429 CCOc1cncc(c1)c2ccc3[nH]ncc3c2C AIFCHEM-6325070020 [0,1,0,0,0,1|2,0,0]=4 80 B21R3.529429 CCOc1cncc(c1)c2ccc3[nH]ncc3c2N AIFCHEM-6260332068 [0,1,0,0,0,1|2,0,0]=4 81 B21R3.529429 COCc1cncc(c1)c2ccc3[nH]ncc3c2C AIFCHEM-6303731534 [0,1,0,0,0,1|2,0,0]=4 82 B21R3.529429 COCc1cncc(c1)c2ccc3[nH]ncc3c2F AIFCHEM-6443761729 [0,1,0,0,0,1|2,0,0]=4 83 B21R3.529430 CCCc1cccc(c1)c2ccc3[nH]nc(c3c2)N AIFCHEM-6307714533 [0,1,0,0,0,1|2,0,0]=4 84 B21R3.529859 CCCc1cccc(c1)c2cc(c3[nH]ncc3c2)C AIFCHEM-6360356960 [0,1,0,0,0,1|2,0,0]=4 85 B21R3.529859 CCOc1cncc(c1)c2cc(c3[nH]ncc3c2)C AIFCHEM-6316977619 [0,1,0,0,0,1|2,0,0]=4 86 B21R3.529859 CCOc1cncc(c1)c2cc(c3[nH]ncc3c2)N AIFCHEM-5883032701 [0,1,0,0,0,1|2,0,0]=4 87 B21R3.32186 CCCCn1cc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6317140068 [0,2,0,0,0,0|2,0,0]=4 88 B21R3.32186 COCCn1cc(cn1)c2cc3cn[nH]c3cc2F AIFCHEM-6372070365 [0,2,0,0,0,0|2,0,0]=4 89 B21R3.32186 COCCn1cc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6316638302 [0,2,0,0,0,0|2,0,0]=4 90 B21R3.197626 CC(C)Cn1cc(cn1)c2cc3cn[nH]c3cc2O AIFCHEM-6335158438 [0,2,0,0,0,0|2,0,0]=4 91 B21R3.625811 CCCCn1cc(cn1)c2cc(c3[nH]ncc3c2)C AIFCHEM-6320035217 [0,2,0,0,0,0|2,0,0]=4 92 B21R3.625811 CCCCn1cc(cn1)c2cc(c3[nH]ncc3c2)F AIFCHEM-6298341671 [0,2,0,0,0,0|2,0,0]=4 93 B21R3.8081120 CCCn1cc(cn1)c2cc(c3c(c2)cnn3C)C AIFCHEM-6362215473 [0,2,0,0,0,0|2,0,0]=4 94 B21R3.526156 CCCn1cc(cn1)c2ccc3[nH]ncc3c2C#N AIFCHEM-6374964094 [0,2,0,0,0,0|2,0,0]=4 95 B21R3.526156 CCCn1cc(cn1)c2ccc3[nH]ncc3c2OC AIFCHEM-6261104955 [0,2,0,0,0,0|2,0,0]=4 96 B21R3.526241 CCCn1cc(cn1)c2ccc3c(c2)c(nn3C)C AIFCHEM-6306157344 [0,2,0,0,0,0|2,0,0]=4 97 B21R3.526300 CCCn1cc(cn1)c2ccc3[nH]nc(c3c2)CC AIFCHEM-6300047245 [0,2,0,0,0,0|2,0,0]=4 98 B21R3.8085282 CCCn1cc(cn1)c2ccc3c(c2)cnn3CC AIFCHEM-6386421905 [0,2,0,0,0,0|2,0,0]=4 99 B21R4.68420 c1cc2[nH]ncc2cc1c3cnc4c(c3)CCN4 AIFCHEM-94549254233 [0,0,0,1,0,1|2,0,0]=4 100 B21R4.68420 c1cc2[nH]ncc2cc1c3cnc4c(c3)CNC4 AIFCHEM-94602262288 [0,0,0,1,0,1|2,0,0]=4 101 B21R4.68420 c1cc2cc(ccc2[nH]1)c3cnc4c(c3)CCC4 AIFCHEM-6351004123 [0,0,0,1,0,1|2,0,0]=4 102 B21R4.68424 c1cc2[nH]ncc2cc1c3cnc(cn3)C4CC4 AIFCHEM-6385127389 [0,0,0,1,0,1|1,0,0]=3 103 B21R4.68424 c1cc2cc(ccc2[nH]1)c3ccc(nc3)C4CC4 AIFCHEM-6299009554 [0,0,0,1,0,1|2,0,0]=4 104 B21R4.68424 c1cc2sncc2cc1c3cnc(nc3)C4CC4 AIFCHEM-6357137914 [0,0,0,1,0,1|2,0,0]=4 105 B21R4.68424 c1nc2[nH]ncc2cc1c3ccc(nn3)C4CC4 AIFCHEM-6305111394 [0,0,0,1,0,1|2,0,0]=4 106 B21R4.2316773 c1cc2c(c(c1)c3ccc4[nH]ncc4c3)CCC2 AIFCHEM-94549251493 [0,0,0,1,0,1|2,0,0]=4 107 B21R4.2316775 c1cc(cc(n1)C2CC2)c3cnc4[nH]ncc4c3 AIFCHEM-6385655988 [0,0,0,1,0,1|2,0,0]=4 108 B21R4.2316775 c1ncc(cc1c2cc3cn[nH]c3cn2)C4CC4 AIFCHEM-94586584754 [0,0,0,1,0,1|2,0,0]=4 109 B21R4.475849 Oc1cc2[nH]ncc2cc1c3cnn4c3CCC4 AIFCHEM-6289523763 [0,1,0,1,0,0|2,0,0]=4 110 B21R4.6988668 Cc1cc2[nH]ncc2cc1c3cnc([nH]3)C4CC4 AIFCHEM-6338276769 [0,1,0,1,0,0|2,0,0]=4 111 B21R4.6988668 Oc1cc2[nH]ncc2cc1c3cnn(c3)C4CC4 AIFCHEM-6316774272 [0,1,0,1,0,0|2,0,0]=4 112 B21R4.7773 c1cc2[nH]ncc2cc1c3cnn(c3)C4COC4 AIFCHEM-6344798739 [0,1,0,1,0,0|2,0,0]=4 113 B21R4.3373 c1cc2[nH]ncc2cc1c3cnn4c3CCCC4 AIFCHEM-94549250190 [0,1,0,1,0,0|2,0,0]=4 114 B21R4.3373 c1cc2[nH]ncc2cc1c3cnn4c3CNCC4 AIFCHEM-94549251373 [0,1,0,1,0,0|2,0,0]=4 115 B21R4.7530737 Cc1cc(cc2c1[nH]nc2)c3cnc([nH]3)C4CC4 AIFCHEM-6289038527 [0,1,0,1,0,0|2,0,0]=4 116 B21R4.7530737 Cc1cc(cc2c1[nH]nc2)c3cnn(c3)C4CC4 AIFCHEM-6373694543 [0,1,0,1,0,0|2,0,0]=4 117 B21R4.7530737 Nc1cc(cc2c1[nH]nc2)c3cnn(c3)C4CC4 AIFCHEM-5883068276 [0,1,0,1,0,0|2,0,0]=4 118 B21R4.46644470 Nc1cc(cc2c1[nH]nc2)c3cnn4c3CCC4 AIFCHEM-5833834164 [0,1,0,1,0,0|2,0,0]=4 119 B21R4.4932320 Cc1c(ccc2c1cn[nH]2)c3n[nH]c4c3CCC4 AIFCHEM-6327167114 [0,1,0,1,0,0|1,0,1]=4 120 B21R4.31989977 Cc1c(ccc2c1cn[nH]2)c3cnc([nH]3)C4CC4 AIFCHEM-6337695247 [0,1,0,1,0,0|2,0,0]=4 121 B21R4.31989977 Fc1c(ccc2c1cn[nH]2)c3cnn(c3)C4CC4 AIFCHEM-6383136829 [0,1,0,1,0,0|2,0,0]=4 122 B21R4.30049818 Cc1n[nH]c2c1cc(cc2)c3cc([nH]n3)C4CC4 AIFCHEM-6313041103 [0,1,0,1,0,0|1,0,1]=4 123 B21R4.4617789 Cn1ncc2c1ccc(c2)c3cc([nH]n3)C4CC4 AIFCHEM-6311856220 [0,1,0,1,0,0|1,0,1]=4 124 B21R4.29838720 Cn1ncc2c1ccc(c2)c3cnn4c3CCC4 AIFCHEM-6424822491 [0,1,0,1,0,0|2,0,0]=4 125 B21R3.342508 CCCc1noc(n1)CNc2ccc3sncc3c2 AIFCHEM-94556244488 [0,0,0,0,0,2|2,0,0]=4