0 B23R2.1101921 CCc1cccc(c1C(=O)NCc2ccnc(c2)OC)CC AIFCHEM-6125764424 [0,0,0,0,0,0|4,0,0]=4 1 B23R2.1101921 COc1cccc(n1)CNC(C)c2c(cccc2OC)OC AIFCHEM-5705319478 [0,0,0,0,0,0|3,0,1]=4 2 B22R2.815539 COc1cccc(c1C(=O)NCc2cc(ccn2)Br)OC AIFCHEM-94549459537 [1,0,0,0,0,0|3,0,0]=4 3 B22R2.1557601 COc1cccc(c1C(=O)NCc2cccc(c2)C#N)C AIFCHEM-6057671520 [1,0,0,0,0,0|3,0,0]=4 4 B22R2.1557601 COc1cccc(n1)CNC(=O)c2c(cccc2OC)Cl AIFCHEM-94602513710 [1,0,0,0,0,0|3,0,0]=4 5 B22R2.1572577 COc1cc(ccn1)CNCc2c(cccc2OC)OC AIFCHEM-94581778674 [1,0,0,0,0,0|2,0,1]=4 6 B24R2.4438483 COc1cccc(c1)C(C)NC(=O)c2c(cccc2OC)OC AIFCHEM-6120473138 [0,1,0,0,0,0|1,0,0]=2 7 B24R2.4438483 COc1cccc(c1)[C@@H](C)NC(=O)c2c(cccc2OC)OC AIFCHEM-94528424152 [0,1,0,0,0,0|1,0,0]=2 8 B24R2.4438483 COc1cccc(c1)[C@H](C)NC(=O)c2c(cccc2OC)OC AIFCHEM-6037056807 [0,1,0,0,0,0|1,0,0]=2 9 B24R2.4439102 COc1cccc(c1C(=O)N(C)Cc2cccc(c2)C#N)OC AIFCHEM-5601171924 [0,1,0,0,0,0|3,0,0]=4 10 B24R2.4463842 COc1cccc(c1Br)CNC(C)c2c(cccc2OC)OC AIFCHEM-5760026211 [0,1,0,0,0,0|2,0,1]=4 11 B24R2.4463842 COc1cccc(c1F)CNC(C)c2c(cccc2OC)OC AIFCHEM-5735386220 [0,1,0,0,0,0|2,0,1]=4 12 B24R2.4463842 COc1cccc(c1O)CNC(C)c2c(cccc2OC)OC AIFCHEM-5735508733 [0,1,0,0,0,0|2,0,1]=4 13 B24R2.12701745 CC=Cc1cc(ccn1)CNC(=O)c2c(cccc2OC)OC AIFCHEM-36439131882 [0,1,0,0,0,0|3,0,0]=4 14 B24R2.12701745 CC=Cc1cccc(n1)CNC(=O)c2c(cccc2OC)OC AIFCHEM-36439170154 [0,1,0,0,0,0|3,0,0]=4 15 B24R2.12701745 CC=Cc1ccnc(c1)CNC(=O)c2c(cccc2OC)OC AIFCHEM-81682199831 [0,1,0,0,0,0|3,0,0]=4 16 B24R2.12701745 CC=Cc1cncc(c1)CNC(=O)c2c(cccc2OC)OC AIFCHEM-81682144253 [0,1,0,0,0,0|3,0,0]=4 17 B24R2.140697139 CCc1cccc(c1C(=O)NCc2ccc(c(c2)OC)O)CC AIFCHEM-94560113967 [0,1,0,0,0,0|3,0,0]=4 18 B24R2.140697139 COc1cc(ccc1O)CNC(=O)c2c(ncnc2OC)OC AIFCHEM-6106582383 [0,1,0,0,0,0|3,0,0]=4 19 B24R2.151746005 COc1cncc(c1)CNC(=O)c2c(cc(cc2OC)Br)OC AIFCHEM-94530044773 [0,1,0,0,0,0|2,0,0]=3 20 B24R2.151746017 COc1ccc(c(c1C(=O)NCc2cccc(c2)C#N)OC)Cl AIFCHEM-6057539404 [0,1,0,0,0,0|3,0,0]=4 21 B24R2.151746017 COc1cccc(c1)CNC(=O)c2c(ccc(c2OC)Br)OC AIFCHEM-5694446385 [0,1,0,0,0,0|1,0,0]=2 22 B24R2.151746017 COc1cccc(n1)CNC(=O)c2c(ccc(c2OC)Br)OC AIFCHEM-94602516494 [0,1,0,0,0,0|2,0,0]=3 23 B24R2.154663633 COc1ccc(c(c1)CNC(C)c2c(cccc2OC)OC)Br AIFCHEM-5703928089 [0,1,0,0,0,0|2,0,1]=4 24 B24R2.154663633 COc1ccc(c(c1)CNC(C)c2c(cccc2OC)OC)Cl AIFCHEM-5704097771 [0,1,0,0,0,0|2,0,1]=4 25 B24R2.154663633 COc1ccc(c(c1)CNC(C)c2c(cccc2OC)OC)O AIFCHEM-5732678237 [0,1,0,0,0,0|2,0,1]=4 26 B22R2.1568643 COc1cccc(c1)NC(=O)c2c(ncnc2OC)OC AIFCHEM-5940650387 [0,0,0,0,1,0|3,0,0]=4 27 B24R2.20344674 COc1cccc(c1)C#CC(=O)Nc2c(cccc2OC)OC AIFCHEM-5665036355 [0,0,0,0,0,1|1,0,1]=3 28 B24R2.20344674 COc1cccc(c1)CCC(=O)Nc2c(ncnc2OC)OC AIFCHEM-5862069703 [0,0,0,0,0,1|3,0,0]=4 29 B24R2.20344674 COc1cccc(c1NC(=O)CCc2cccc(c2)C#N)OC AIFCHEM-5665464087 [0,0,0,0,0,1|3,0,0]=4 30 B21R2.458974 COc1cccc(c1CNCc2cccc(c2)O)OC AIFCHEM-6052229367 [2,0,0,0,0,0|1,0,1]=4 31 B21R2.1316402 COc1cccc(c1C(=O)NCc2cccc(c2)Br)C AIFCHEM-6229012933 [2,0,0,0,0,0|2,0,0]=4 32 B21R2.1316402 COc1cccc(c1C(=O)NCc2cccc(c2)C)I AIFCHEM-5778132287 [2,0,0,0,0,0|2,0,0]=4 33 B21R2.1316402 COc1cccc(c1C(=O)NCc2cccc(c2)I)O AIFCHEM-94533641886 [2,0,0,0,0,0|2,0,0]=4 34 B21R2.1316402 COc1cccc(c1C(=O)NCc2cncc(c2)C)C AIFCHEM-5654847149 [2,0,0,0,0,0|2,0,0]=4 35 B21R2.1780476 COc1cccc(c1)CNC(=O)c2c(cccc2Cl)O AIFCHEM-5776198590 [2,0,0,0,0,0|2,0,0]=4 36 B21R2.1780476 COc1cccc(c1)CNC(=O)c2c(cccc2O)C AIFCHEM-5776292219 [2,0,0,0,0,0|1,0,0]=3 37 B21R2.1780476 COc1cccc(n1)CNC(=O)c2c(cccc2O)O AIFCHEM-94602513528 [2,0,0,0,0,0|2,0,0]=4 38 B21R2.1780476 COc1ccnc(c1)CNC(=O)c2c(cccc2O)O AIFCHEM-94558314700 [2,0,0,0,0,0|2,0,0]=4 39 B21R2.1789028 COc1cccc(c1)CNCc2c(cccc2OC)O AIFCHEM-5775957026 [2,0,0,0,0,0|1,0,1]=4 40 B23R2.400517 COc1cc(cc(c1C(=O)NCc2ccnc(c2)C)OC)Br AIFCHEM-94531189587 [1,1,0,0,0,0|2,0,0]=4 41 B23R2.906250 COc1cccc(c1C(=O)N(C)Cc2cccc(c2)O)OC AIFCHEM-5859024937 [1,1,0,0,0,0|1,0,0]=3 42 B23R2.3820951 COc1ccc(c(c1C(=O)NCc2cc(ccn2)C)OC)Br AIFCHEM-94599520198 [1,1,0,0,0,0|2,0,0]=4 43 B23R2.3820951 COc1ccc(c(c1C(=O)NCc2cccc(c2)C)OC)Br AIFCHEM-5700697660 [1,1,0,0,0,0|1,0,0]=3 44 B23R2.13224460 COc1cccc(c1C(=O)N[C@@H](C)c2cccc(c2)C)OC AIFCHEM-94599015796 [1,1,0,0,0,0|1,0,0]=3 45 B23R2.13224460 COc1cccc(c1C(=O)N[C@H](C)c2cccc(c2)C)OC AIFCHEM-94584553915 [1,1,0,0,0,0|1,0,0]=3 46 B23R2.13225590 COc1cccc(c1C(=O)NCc2cc(ccc2O)C)OC AIFCHEM-94577951721 [1,1,0,0,0,0|1,0,0]=3 47 B23R2.88382044 COc1cccc(c1C(=O)NCc2ccc(c(c2)F)O)OC AIFCHEM-5909766598 [1,1,0,0,0,0|2,0,0]=4 48 B23R2.88382044 COc1cccc(c1C(=O)NCc2ccc(c(c2)O)O)OC AIFCHEM-5992410164 [1,1,0,0,0,0|1,0,0]=3 49 B23R2.95555282 COc1cccc(c1C(=O)NCc2cc(cc(c2)Br)F)OC AIFCHEM-5878081290 [1,1,0,0,0,0|2,0,0]=4 50 B23R2.95555282 COc1cccc(c1C(=O)NCc2cc(cc(c2)F)C)OC AIFCHEM-5933981050 [1,1,0,0,0,0|1,0,0]=3 51 B23R2.1363813 COc1ccc(c(c1)CNC(=O)c2c(cccc2OC)C)Br AIFCHEM-5641387272 [1,1,0,0,0,0|1,0,0]=3 52 B23R2.1363813 COc1ccc(c(c1)CNC(=O)c2c(cccc2OC)O)Br AIFCHEM-94533461285 [1,1,0,0,0,0|1,0,0]=3 53 B23R2.3671164 COc1cc(ccn1)[C@H](C)NC(=O)c2c(cccc2OC)C AIFCHEM-94521882341 [1,1,0,0,0,0|2,0,0]=4 54 B23R2.3671482 COc1cccc(c1)CN(C)C(=O)c2c(cccc2OC)I AIFCHEM-5676852370 [1,1,0,0,0,0|2,0,0]=4 55 B23R2.9296078 CCOc1cc(ccn1)CNC(=O)c2c(cccc2OC)C AIFCHEM-5618836794 [1,1,0,0,0,0|2,0,0]=4 56 B23R2.88382043 COc1cc(ccc1Br)CNC(=O)c2c(cccc2OC)Br AIFCHEM-6075899632 [1,1,0,0,0,0|2,0,0]=4 57 B23R2.88382043 COc1cc(ccc1Br)CNC(=O)c2c(cccc2OC)Cl AIFCHEM-6024053972 [1,1,0,0,0,0|2,0,0]=4 58 B23R2.88382043 COc1cc(ccc1Cl)CNC(=O)c2c(cccc2OC)C AIFCHEM-6025615959 [1,1,0,0,0,0|1,0,0]=3 59 B23R2.88382043 COc1cc(ccc1F)CNC(=O)c2c(cccc2OC)Cl AIFCHEM-94593151116 [1,1,0,0,0,0|2,0,0]=4 60 B23R2.1106300 COc1cc(ccc1C)CNCc2c(cccc2OC)OC AIFCHEM-94581776033 [1,1,0,0,0,0|1,0,1]=4 61 B23R2.1106300 COc1cc(ccc1O)CNCc2c(cccc2OC)OC AIFCHEM-94581773928 [1,1,0,0,0,0|1,0,1]=4 62 B23R2.3684926 COc1cccc(c1Br)CNCc2c(cccc2OC)OC AIFCHEM-94581773367 [1,1,0,0,0,0|1,0,1]=4 63 B23R2.3684926 COc1cccc(c1F)CNCc2c(cccc2OC)OC AIFCHEM-6019659474 [1,1,0,0,0,0|1,0,1]=4 64 B23R2.3684926 COc1cccc(c1O)CNCc2c(cccc2OC)OC AIFCHEM-94581774740 [1,1,0,0,0,0|1,0,1]=4 65 B23R2.21541498 COc1cccc(c1)CCNc2c(cc(cc2OC)Br)OC AIFCHEM-5681285590 [1,1,0,0,0,0|2,0,0]=4 66 B23R2.21541498 COc1cccc(c1)CNCc2c(cc(cc2OC)O)OC AIFCHEM-5753142444 [1,1,0,0,0,0|1,0,1]=4 67 B23R2.24014463 COc1ccc(c(c1)CNCc2c(cccc2OC)OC)Cl AIFCHEM-6042072328 [1,1,0,0,0,0|1,0,1]=4 68 B23R2.24014463 COc1ccc(c(c1)CNCc2c(cccc2OC)OC)O AIFCHEM-94581778413 [1,1,0,0,0,0|1,0,1]=4 69 B23R2.9292735 COCc1cccc(c1)NC(=O)c2c(cccc2OC)OC AIFCHEM-5636392594 [0,1,0,0,1,0|1,0,0]=3 70 B23R2.97560533 COc1ccc(c(c1)NC(=O)c2c(cccc2OC)OC)I AIFCHEM-94534311564 [0,1,0,0,1,0|1,0,0]=3 71 B23R2.349883404 COc1cc(cc(c1)NC(=O)c2c(cccc2OC)OC)F AIFCHEM-6120467261 [0,1,0,0,1,0|1,0,0]=3 72 B25R2.17261125 CC=Cc1cccc(c1)CCC(=O)Nc2c(cccc2OC)OC AIFCHEM-86848039047 [0,1,0,0,0,1|2,0,0]=4 73 B25R2.234128183 COc1cc(ccc1O)CCC(=O)Nc2c(cccc2OC)OC AIFCHEM-94579653477 [0,1,0,0,0,1|1,0,0]=3 74 B25R2.234234603 COc1cccc(c1)C#CC(=O)Nc2c(cc(cc2OC)Br)OC AIFCHEM-5685569488 [0,1,0,0,0,1|1,0,1]=4 75 B25R2.234234603 COc1cccc(c1)CCC(=O)Nc2c(cc(cc2OC)Br)OC AIFCHEM-5685524027 [0,1,0,0,0,1|1,0,0]=3 76 B25R2.48632171 COc1cc(ccn1)[C@H](C)NC(=O)c2c(cc(cc2OC)Br)OC AIFCHEM-94521882312 [0,2,0,0,0,0|2,0,0]=4 77 B25R2.48632183 COc1cccc(c1)C(C)NC(=O)c2c(ccc(c2OC)Cl)OC AIFCHEM-94580569977 [0,2,0,0,0,0|1,0,0]=3 78 B25R2.48632183 COc1cccc(c1)[C@@H](C)NC(=O)c2c(ccc(c2OC)Cl)OC AIFCHEM-94528427412 [0,2,0,0,0,0|1,0,0]=3 79 B25R2.48632183 COc1cccc(c1)[C@H](C)NC(=O)c2c(ccc(c2OC)Cl)OC AIFCHEM-6037314167 [0,2,0,0,0,0|1,0,0]=3 80 B25R2.17267526 CC=Cc1cccc(c1)CN(C)C(=O)c2c(cccc2OC)OC AIFCHEM-40609693743 [0,2,0,0,0,0|2,0,0]=4 81 B25R2.234468371 CCN(Cc1cc(ccn1)OC)C(=O)c2c(cccc2OC)OC AIFCHEM-97618359641 [0,2,0,0,0,0|2,0,0]=4 82 B25R2.234468371 CCN(Cc1cccc(n1)OC)C(=O)c2c(cccc2OC)OC AIFCHEM-97618340299 [0,2,0,0,0,0|2,0,0]=4 83 B25R2.234468371 CCN(Cc1ccnc(c1)OC)C(=O)c2c(cccc2OC)OC AIFCHEM-97618627479 [0,2,0,0,0,0|2,0,0]=4 84 B25R2.234468371 CCN(Cc1cncc(c1)OC)C(=O)c2c(cccc2OC)OC AIFCHEM-97618384291 [0,2,0,0,0,0|2,0,0]=4 85 B25R2.17301978 CC=Cc1cccc(c1F)CNC(=O)c2c(cccc2OC)OC AIFCHEM-40609784947 [0,2,0,0,0,0|2,0,0]=4 86 B25R2.17301978 CC=Cc1cccc(c1O)CNC(=O)c2c(cccc2OC)OC AIFCHEM-81681624075 [0,2,0,0,0,0|2,0,0]=4 87 B25R2.234112718 COc1cccc(c1OC)CNC(=O)c2c(cccc2OC)OC AIFCHEM-5598755343 [0,2,0,0,0,0|1,0,0]=3 88 B25R2.234235505 C/C=C(\C)/c1cccc(c1C(=O)NCc2cccc(c2)OC)OC AIFCHEM-96175239074 [0,2,0,0,0,0|2,0,0]=4 89 B25R2.16666402 CC=Cc1cc(ccc1C)CNC(=O)c2c(cccc2OC)OC AIFCHEM-40612987218 [0,2,0,0,0,0|2,0,0]=4 90 B25R2.36115427 CC=Cc1cc(cc(c1)CNC(=O)c2c(cccc2OC)OC)C AIFCHEM-81692398759 [0,2,0,0,0,0|2,0,0]=4 91 B25R2.36115427 CC=Cc1cc(cc(c1)CNC(=O)c2c(cccc2OC)OC)F AIFCHEM-40612708876 [0,2,0,0,0,0|2,0,0]=4 92 B25R2.217827089 COc1cccc(c1C(=O)NCc2ccnc(c2)OC(F)F)OC AIFCHEM-5763296801 [0,2,0,0,0,0|2,0,0]=4 93 B25R2.217827468 C/C=C(\C)/c1cccc(c1)CNC(=O)c2c(cccc2OC)OC AIFCHEM-97619475423 [0,2,0,0,0,0|2,0,0]=4 94 B25R2.14771339 COc1cc(ccc1F)CNC(=O)c2c(cc(cc2OC)Br)OC AIFCHEM-94593153183 [0,2,0,0,0,0|1,0,0]=3 95 B25R2.51747020 COc1cc(ccc1O)CNC(=O)c2c(ccc(c2OC)Cl)OC AIFCHEM-6126797722 [0,2,0,0,0,0|1,0,0]=3 96 B25R2.234235601 COc1cncc(c1)CNC(=O)c2c(cc(cc2OC)OC)OC AIFCHEM-94530044466 [0,2,0,0,0,0|2,0,0]=4 97 B25R2.234235576 COc1cccc(n1)CNC(=O)c2c(ccc(c2OC)OC)OC AIFCHEM-94602515708 [0,2,0,0,0,0|2,0,0]=4 98 B25R2.993890952 COc1cc(cc(c1)CNC(=O)c2c(ccc(c2OC)Cl)OC)F AIFCHEM-6131084719 [0,2,0,0,0,0|1,0,0]=3 99 B23R3.323639661 COc1ccc2cc([nH]c2c1)c3c(cccc3OC)OC AIFCHEM-6362108942 [0,0,0,1,1,0|2,0,0]=4 100 B23R3.323639661 COc1ccc2oc(cc2c1)c3c(cccc3OC)OC AIFCHEM-6361909072 [0,0,0,1,1,0|0,0,2]=4 101 B23R3.323639661 COc1ccc2sc(cc2c1)c3c(cccc3OC)OC AIFCHEM-6304685995 [0,0,0,1,1,0|0,1,1]=4 102 B25R3.994024801 COc1cccc2c1CN(C2)C(=O)c3c(cccc3OC)OC AIFCHEM-5827210545 [0,1,0,1,0,0|1,0,0]=3 103 B21R2.1786876 COc1cccc(c1)NC(=O)c2c(cccc2OC)Cl AIFCHEM-94573858102 [1,0,0,0,1,0|2,0,0]=4 104 B21R2.1786876 COc1cccc(c1)NC(=O)c2c(cccc2OC)I AIFCHEM-94573860509 [1,0,0,0,1,0|2,0,0]=4 105 B21R2.1786876 COc1cccc(c1)NC(=O)c2c(cccc2OC)O AIFCHEM-94573858010 [1,0,0,0,1,0|1,0,0]=3 106 B21R2.1786135 CCc1cccc(c1)CNc2c(cccc2OC)OC AIFCHEM-5647574073 [1,0,0,0,1,0|2,0,0]=4 107 B21R2.1786135 COc1cccc(c1NCc2cccc(c2)SC)OC AIFCHEM-5603796425 [1,0,0,0,1,0|1,1,0]=4 108 B21R2.1786135 COc1ccnc(c1)CNc2c(cccc2OC)OC AIFCHEM-94579648036 [1,0,0,0,1,0|2,0,0]=4 109 B23R2.1092845 COc1cccc(c1NC(=O)C#Cc2cccc(c2)C)OC AIFCHEM-5647408599 [1,0,0,0,0,1|1,0,1]=4 110 B23R2.1101823 CCc1cccc(c1NC(=O)CCc2cccc(c2)OC)C AIFCHEM-5718572716 [1,0,0,0,0,1|2,0,0]=4 111 B25R2.5422549 COc1cccc(c1)OCCC(=O)Nc2c(cccc2OC)OC AIFCHEM-94579659129 [0,0,0,0,0,2|1,0,0]=3 112 B25R2.5424587 COc1cccc(c1)C#CC(=O)NCc2c(cccc2OC)OC AIFCHEM-6021843488 [0,0,0,0,0,2|1,0,1]=4 113 B25R2.5424587 COc1cccc(c1)CCC(=O)NCc2c(cccc2OC)OC AIFCHEM-5995827283 [0,0,0,0,0,2|1,0,0]=3