0 B23R2.66076 COc1cc(ccc1c2ccco2)CC(=O)N(C)CC(C)C AIFCHEM-93954381993 [1,0,0,0,0,0|3,0,0]=4 1 B23R2.66076 COc1cc(ccc1c2cnco2)NC(=O)[C@@H](O)CC(C)C AIFCHEM-94591602309 [1,0,0,0,0,0|1,0,0]=2 2 B23R2.994006 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2ccns2 AIFCHEM-45093990871 [1,0,0,0,0,0|3,0,0]=4 3 B23R2.994006 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2cnsc2 AIFCHEM-45092218576 [1,0,0,0,0,0|3,0,0]=4 4 B23R2.994006 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2cscn2 AIFCHEM-89975099068 [1,0,0,0,0,0|3,0,0]=4 5 B23R2.994006 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2ncns2 AIFCHEM-45092734997 [1,0,0,0,0,0|3,0,0]=4 6 B23R2.994006 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2nncs2 AIFCHEM-89995769281 [1,0,0,0,0,0|2,1,0]=4 7 B25R3.2121906 COc1cc(ccc1c2ccns2)NC(=O)C3CCCC(C3)C AIFCHEM-41489255793 [0,0,0,1,0,0|3,0,0]=4 8 B25R3.2121906 COc1cc(ccc1c2cn[nH]c2)NC(=O)C3CCCC(C3)C AIFCHEM-41489253749 [0,0,0,1,0,0|3,0,0]=4 9 B25R3.2121906 COc1cc(ccc1c2cncs2)NC(=O)C3CCCC(C3)C AIFCHEM-41484394247 [0,0,0,1,0,0|1,1,0]=3 10 B25R3.2121906 COc1cc(ccc1c2cncs2)NC(=O)C3CCCC(C3)O AIFCHEM-43368635355 [0,0,0,1,0,0|2,1,0]=4 11 B25R3.2121906 COc1cc(ccc1c2cncs2)NC(=O)C3CCCN(C3)C AIFCHEM-39318237049 [0,0,0,1,0,0|2,1,0]=4 12 B25R3.2121906 COc1cc(ccc1c2cncs2)NC(=O)[C@H]3CCC[C@H](C3)O AIFCHEM-42005213443 [0,0,0,1,0,0|2,1,0]=4 13 B25R3.2121906 COc1cc(ccc1c2cnsc2)NC(=O)C3CCCC(C3)C AIFCHEM-41484520758 [0,0,0,1,0,0|3,0,0]=4 14 B25R3.2121906 COc1cc(ccc1c2cscn2)NC(=O)C3CCCC(C3)C AIFCHEM-85611984321 [0,0,0,1,0,0|3,0,0]=4 15 B25R3.2121906 COc1cc(ccc1c2ncn[nH]2)NC(=O)C3CCCC(C3)C AIFCHEM-85612464310 [0,0,0,1,0,0|3,0,0]=4 16 B25R3.2121906 COc1cc(ccc1c2ncns2)NC(=O)C3CCCC(C3)C AIFCHEM-41484741339 [0,0,0,1,0,0|3,0,0]=4 17 B25R3.2121906 COc1cc(ccc1c2nncs2)NC(=O)C3CCCC(C3)C AIFCHEM-85628299814 [0,0,0,1,0,0|2,1,0]=4 18 B23R2.65972 CCN(CC(C)C)C(=O)c1ccc(c(c1)OC)c2ccco2 AIFCHEM-93954424598 [0,0,0,0,1,0|3,0,0]=4 19 B23R2.65972 CCN(CC(C)C)C(=O)c1ccc(c(c1)OC)c2cncs2 AIFCHEM-37779751784 [0,0,0,0,1,0|2,1,0]=4 20 B23R2.66082 CCC(C(=O)Nc1ccc(c(c1)OC)c2cscn2)C(C)C AIFCHEM-93756585889 [0,0,0,0,1,0|3,0,0]=4 21 B23R2.66082 CCC(C(=O)Nc1ccc(c(c1)OC)c2nncs2)C(C)C AIFCHEM-93778463502 [0,0,0,0,1,0|2,1,0]=4 22 B22R2.54635 COc1cc(ccc1c2ccns2)NC(=O)CCC(C)C AIFCHEM-45636693881 [2,0,0,0,0,0|2,0,0]=4 23 B22R2.54635 COc1cc(ccc1c2cnco2)NC(=O)CCC(F)F AIFCHEM-5741149636 [2,0,0,0,0,0|2,0,0]=4 24 B22R2.54635 COc1cc(ccc1c2cncs2)NC(=O)COC(C)C AIFCHEM-46350777615 [2,0,0,0,0,0|1,1,0]=4 25 B22R2.54635 COc1cc(ccc1c2cncs2)NC(=O)CSC(C)C AIFCHEM-38539590555 [2,0,0,0,0,0|1,1,0]=4 26 B22R2.54635 COc1cc(ccc1c2cnsc2)NC(=O)CCC(C)C AIFCHEM-45632217646 [2,0,0,0,0,0|2,0,0]=4 27 B22R2.54635 COc1cc(ccc1c2cscn2)NC(=O)CCC(C)C AIFCHEM-90068896402 [2,0,0,0,0,0|2,0,0]=4 28 B22R2.54635 COc1cc(ccc1c2ncn[nH]2)NC(=O)CCC(C)C AIFCHEM-90069377491 [2,0,0,0,0,0|2,0,0]=4 29 B22R2.54635 COc1cc(ccc1c2ncns2)NC(=O)CCC(C)C AIFCHEM-45632800227 [2,0,0,0,0,0|2,0,0]=4 30 B22R2.54635 COc1cc(ccc1c2nncs2)NC(=O)CCC(C)C AIFCHEM-90088320486 [2,0,0,0,0,0|1,1,0]=4 31 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2ccns2 AIFCHEM-40146196885 [2,0,0,0,0,0|2,0,0]=4 32 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cnco2 AIFCHEM-5691607007 [2,0,0,0,0,0|0,0,0]=2 33 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cncs2 AIFCHEM-40144814559 [2,0,0,0,0,0|0,1,0]=3 34 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cnsc2 AIFCHEM-40144941070 [2,0,0,0,0,0|2,0,0]=4 35 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2cscn2 AIFCHEM-84942231651 [2,0,0,0,0,0|2,0,0]=4 36 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2ncns2 AIFCHEM-40145161651 [2,0,0,0,0,0|2,0,0]=4 37 B22R2.62501 CCCC(C)C(=O)Nc1ccc(c(c1)OC)c2nncs2 AIFCHEM-84957391584 [2,0,0,0,0,0|1,1,0]=4 38 B22R2.62501 CCOC(C)C(=O)Nc1ccc(c(c1)OC)c2cncs2 AIFCHEM-44172332939 [2,0,0,0,0,0|1,1,0]=4 39 B22R2.54632 CCC(CC)C(=O)Nc1ccc(c(c1)OC)c2cncs2 AIFCHEM-39977369883 [2,0,0,0,0,0|1,1,0]=4 40 B24R2.76527 COc1cc(ccc1c2nnc(o2)C)NC(=O)C(O)CC(C)C AIFCHEM-97429858069 [1,1,0,0,0,0|2,0,0]=4 41 B24R2.1312622 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2nnc(o2)C AIFCHEM-95703060194 [1,1,0,0,0,0|2,0,0]=4 42 B24R2.1993138 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2cncn2C AIFCHEM-89989893763 [1,1,0,0,0,0|2,0,0]=4 43 B24R2.1993138 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2scnc2C AIFCHEM-45092175219 [1,1,0,0,0,0|1,1,0]=4 44 B24R2.73682 CCC(C(=O)Nc1ccc(c(c1)OC)c2cncn2C)C(C)C AIFCHEM-93771413284 [0,1,0,0,1,0|2,0,0]=4 45 B24R2.76533 CCC(C(=O)Nc1ccc(c(c1)OC)c2nnc(o2)C)C(C)C AIFCHEM-100462583416 [0,1,0,0,1,0|2,0,0]=4 46 B26R2.58434338 CCC(C)(CCC(C)C)C(=O)Nc1ccc(c(c1)OC)c2cnco2 AIFCHEM-5772466216 [0,1,0,0,0,1|1,0,0]=3 47 B26R2.5349736 COc1cc(ccc1c2cnco2)NC(=O)[C@H](CC(C)C)SC(=O)C AIFCHEM-5691772913 [0,2,0,0,0,0|1,0,1]=4 48 B24R3.2058222 COc1cc(ccc1c2ccns2)NC(=O)C3CCC(C3)C AIFCHEM-46565884867 [1,0,0,1,0,0|2,0,0]=4 49 B24R3.2058222 COc1cc(ccc1c2cn[nH]c2)NC(=O)C3CCC(C3)C AIFCHEM-46565883783 [1,0,0,1,0,0|2,0,0]=4 50 B24R3.2058222 COc1cc(ccc1c2cncs2)NC(=O)C3CCC(C3)C AIFCHEM-46560848121 [1,0,0,1,0,0|0,1,0]=3 51 B24R3.2058222 COc1cc(ccc1c2cnsc2)NC(=O)C3CCC(C3)C AIFCHEM-46560974632 [1,0,0,1,0,0|2,0,0]=4 52 B24R3.2058222 COc1cc(ccc1c2cscn2)NC(=O)C3CCC(C3)C AIFCHEM-86949581679 [1,0,0,1,0,0|2,0,0]=4 53 B24R3.2058222 COc1cc(ccc1c2ncn[nH]2)NC(=O)C3CCC(C3)C AIFCHEM-86950007508 [1,0,0,1,0,0|2,0,0]=4 54 B24R3.2058222 COc1cc(ccc1c2ncns2)NC(=O)C3CCC(C3)C AIFCHEM-46561195213 [1,0,0,1,0,0|2,0,0]=4 55 B24R3.2058222 COc1cc(ccc1c2nncs2)NC(=O)C3CCC(C3)C AIFCHEM-86966909292 [1,0,0,1,0,0|1,1,0]=4 56 B24R3.5849732 COc1cc(ccc1c2ccns2)NC(=O)C3CC(C3)(C)C AIFCHEM-41267676865 [1,0,0,1,0,0|2,0,0]=4 57 B24R3.5849732 COc1cc(ccc1c2cn[nH]c2)NC(=O)C3CC(C3)(C)C AIFCHEM-41267675781 [1,0,0,1,0,0|2,0,0]=4 58 B24R3.5849732 COc1cc(ccc1c2cncs2)NC(=O)C3CC(C3)(C)C AIFCHEM-41264573979 [1,0,0,1,0,0|0,1,0]=3 59 B24R3.5849732 COc1cc(ccc1c2cncs2)NC(=O)C3CC(C3)(C)O AIFCHEM-40840067339 [1,0,0,1,0,0|1,1,0]=4 60 B24R3.5849732 COc1cc(ccc1c2cncs2)NC(=O)[C@H]3C[C@@](C3)(C)O AIFCHEM-45406940849 [1,0,0,1,0,0|1,1,0]=4 61 B24R3.5849732 COc1cc(ccc1c2cnsc2)NC(=O)C3CC(C3)(C)C AIFCHEM-41264789970 [1,0,0,1,0,0|2,0,0]=4 62 B24R3.5849732 COc1cc(ccc1c2cscn2)NC(=O)C3CC(C3)(C)C AIFCHEM-93901899853 [1,0,0,1,0,0|2,0,0]=4 63 B24R3.5849732 COc1cc(ccc1c2ncn[nH]2)NC(=O)C3CC(C3)(C)C AIFCHEM-93902249262 [1,0,0,1,0,0|2,0,0]=4 64 B24R3.5849732 COc1cc(ccc1c2ncns2)NC(=O)C3CC(C3)(C)C AIFCHEM-41265017391 [1,0,0,1,0,0|2,0,0]=4 65 B24R3.5849732 COc1cc(ccc1c2nncs2)NC(=O)C3CC(C3)(C)C AIFCHEM-93921682686 [1,0,0,1,0,0|1,1,0]=4 66 B24R3.69653806 COc1cc(ccc1c2cnco2)NC(=O)C3(CC3(F)F)C AIFCHEM-5740132522 [1,0,0,1,0,0|2,0,0]=4 67 B24R3.245610 Cc1cc(ccc1c2cncs2)NC(=O)C3CCCC(C3)C AIFCHEM-41489021540 [1,0,0,1,0,0|1,1,0]=4 68 B24R3.1715890 CCN1CCC1C(=O)Nc2ccc(c(c2)OC)c3cnco3 AIFCHEM-99295305201 [1,0,0,1,0,0|2,0,0]=4 69 B24R3.1715890 CCN1CC[C@@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3 AIFCHEM-99295157820 [1,0,0,1,0,0|2,0,0]=4 70 B24R3.1715890 CCN1CC[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3 AIFCHEM-99295422562 [1,0,0,1,0,0|2,0,0]=4 71 B24R3.2058221 COc1cc(ccc1c2cnco2)NC(=O)[C@@H]3CCCN3C AIFCHEM-5718310014 [1,0,0,1,0,0|2,0,0]=4 72 B24R3.2058221 COc1cc(ccc1c2cnco2)NC(=O)[C@H]3CCCN3C AIFCHEM-5718467601 [1,0,0,1,0,0|2,0,0]=4 73 B24R3.2058221 COc1cc(ccc1c2cncs2)NC(=O)C3CCCC3C AIFCHEM-42534311035 [1,0,0,1,0,0|1,1,0]=4 74 B24R3.69653804 COc1cc(ccc1c2cnco2)NC(=O)C3(CC3)N(C)C AIFCHEM-5691251116 [0,0,0,1,1,0|2,0,0]=4 75 B26R3.2193958 COc1cc(ccc1c2cncs2)NC(=O)C3COC(OC3)(C)C AIFCHEM-40347067205 [0,0,0,1,0,1|1,1,0]=4 76 B26R3.2195199 COc1cc(ccc1c2cccnc2)NC(=O)C3CCCC(C3)C AIFCHEM-41489445232 [0,0,0,1,0,1|2,0,0]=4 77 B26R3.2195199 COc1cc(ccc1c2ccncn2)NC(=O)C3CCCC(C3)C AIFCHEM-41489512498 [0,0,0,1,0,1|2,0,0]=4 78 B26R3.2195199 COc1cc(ccc1c2cnccn2)NC(=O)C3CCCC(C3)C AIFCHEM-85622386504 [0,0,0,1,0,1|2,0,0]=4 79 B26R3.8876470 COc1cc(ccc1c2cncs2)NC(=O)CC3CCCC(C3)C AIFCHEM-42791603931 [0,0,0,1,0,1|1,1,0]=4 80 B26R3.2193469 COc1cc(ccc1c2cncn2C)NC(=O)C3CCCC(C3)C AIFCHEM-85622449876 [0,1,0,1,0,0|2,0,0]=4 81 B26R3.2193469 COc1cc(ccc1c2scnc2C)NC(=O)C3CCCC(C3)C AIFCHEM-41484501981 [0,1,0,1,0,0|1,1,0]=4 82 B26R3.2200543 COc1cc(ccc1c2cnc(s2)C)NC(=O)C3CCCC(C3)C AIFCHEM-41484737506 [0,1,0,1,0,0|1,1,0]=4 83 B26R3.2200543 COc1cc(ccc1c2nnc(o2)C)NC(=O)C3CCCC(C3)C AIFCHEM-98912704012 [0,1,0,1,0,0|2,0,0]=4 84 B26R3.1466051 CCN1CCCC(C1)C(=O)Nc2ccc(c(c2)OC)c3cnco3 AIFCHEM-99295325075 [0,1,0,1,0,0|2,0,0]=4 85 B26R3.1466051 CCN1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)OC)c3cnco3 AIFCHEM-99295020917 [0,1,0,1,0,0|2,0,0]=4 86 B26R3.1466051 CCN1CCC[C@H](C1)C(=O)Nc2ccc(c(c2)OC)c3cnco3 AIFCHEM-99295184088 [0,1,0,1,0,0|2,0,0]=4 87 B26R3.10070002 CCN1CC(C(C1)C(=O)Nc2ccc(c(c2)OC)c3cnco3)C AIFCHEM-99295363725 [0,1,0,1,0,0|2,0,0]=4 88 B22R2.54610 COc1cc(ccc1c2ccco2)C(=O)N(C)CC(C)C AIFCHEM-82182031108 [1,0,0,0,1,0|2,0,0]=4 89 B22R2.54610 COc1cc(ccc1c2cncs2)C(=O)N(C)CC(C)C AIFCHEM-37246206885 [1,0,0,0,1,0|1,1,0]=4 90 B22R2.54686 COc1cc(ccc1c2ccns2)NC(=O)C(C)C(C)C AIFCHEM-46445860884 [1,0,0,0,1,0|2,0,0]=4 91 B22R2.54686 COc1cc(ccc1c2cncs2)NC(=O)C(C)C(C)C AIFCHEM-46443131678 [1,0,0,0,1,0|0,1,0]=3 92 B22R2.54686 COc1cc(ccc1c2cnsc2)NC(=O)C(C)C(C)C AIFCHEM-46443349029 [1,0,0,0,1,0|2,0,0]=4 93 B22R2.54686 COc1cc(ccc1c2cscn2)NC(=O)C(C)C(C)C AIFCHEM-87854124214 [1,0,0,0,1,0|2,0,0]=4 94 B22R2.54686 COc1cc(ccc1c2ncns2)NC(=O)C(C)C(C)C AIFCHEM-46443633070 [1,0,0,0,1,0|2,0,0]=4 95 B22R2.54686 COc1cc(ccc1c2nncs2)NC(=O)C(C)C(C)C AIFCHEM-87869062027 [1,0,0,0,1,0|1,1,0]=4 96 B22R2.743171 CCN(CC(C)C)C(=O)c1ccc(c(c1)C)c2cnco2 AIFCHEM-37779647353 [1,0,0,0,1,0|2,0,0]=4 97 B22R2.3199406 CCC(C(=O)Nc1ccc(c(c1)C)c2ccco2)C(C)C AIFCHEM-95434912687 [1,0,0,0,1,0|2,0,0]=4 98 B24R2.3961294 COc1cc(ccc1c2cnco2)NC(C)CC(C)CC(C)C AIFCHEM-94554617951 [1,0,0,0,0,1|1,0,1]=4 99 B24R2.1312621 CCCC(CC)C(=O)Nc1ccc(c(c1)OC)c2cnccn2 AIFCHEM-89989809851 [1,0,0,0,0,1|2,0,0]=4 100 B24R2.74193 CCC(C(=O)Nc1ccc(c(c1)OC)c2cnccn2)C(C)C AIFCHEM-93771338252 [0,0,0,0,1,1|2,0,0]=4