0 B15R1.1035 CCCCCC(CC)Nc1ccccc1 AIFCHEM-94552031968 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.158 N#CCCCC(=O)Nc1ccccc1 AIFCHEM-94552044110 [1,0,0,0,0,0|2,0,1]=4 2 B16R1.1420 CCCCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568191840 [0,1,0,0,0,0|2,0,1]=4 3 B16R1.1759 CCCCCN(Cc1ccccc1)C(=O)C AIFCHEM-99350914959 [0,1,0,0,0,0|1,0,1]=3 4 B16R1.1759 CCCCCN(Cc1ccccn1)C(=O)C AIFCHEM-98288831269 [0,1,0,0,0,0|2,0,1]=4 5 B16R1.1759 CCCCCN(Cc1cccnc1)C(=O)C AIFCHEM-98288455708 [0,1,0,0,0,0|2,0,1]=4 6 B16R1.1759 CCCCCN(Cc1ccncc1)C(=O)C AIFCHEM-99350515017 [0,1,0,0,0,0|2,0,1]=4 7 B16R1.1759 CSCCCN(Cc1ccccc1)C(=O)C AIFCHEM-99350780202 [0,1,0,0,0,0|2,0,1]=4 8 B16R2.2272 CCCNCc1cc2ccccc2n1C AIFCHEM-94521368662 [0,0,0,1,0,0|3,0,0]=4 9 B16R2.2272 CCCNCc1oc2ccccc2c1Cl AIFCHEM-94562098793 [0,0,0,1,0,0|3,0,0]=4 10 B16R2.2441 CCCCNc1cc2ccccc2cn1 AIFCHEM-94523035573 [0,0,0,1,0,0|3,0,0]=4 11 B16R2.2441 CCCCNc1cnc2ccccc2n1 AIFCHEM-94523038989 [0,0,0,1,0,0|3,0,0]=4 12 B16R2.2441 CCCNCc1cc2ccccc2cn1 AIFCHEM-94521370168 [0,0,0,1,0,0|3,0,0]=4 13 B16R2.2441 CCCNCc1ccc2cccnc2c1 AIFCHEM-94521369807 [0,0,0,1,0,0|3,0,0]=4 14 B16R2.2441 CCCNCc1ccc2cnccc2c1 AIFCHEM-5790865856 [0,0,0,1,0,0|3,0,0]=4 15 B16R2.2441 CCCNCc1cnc2ccccc2c1 AIFCHEM-94569017222 [0,0,0,1,0,0|2,0,0]=3 16 B13R1.28 CCCCCC=Cc1ccncn1 AIFCHEM-6306678936 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.28 CCCCCC=Cc1cncnc1 AIFCHEM-6372023023 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.44 CCCCC(=O)Nc1ccccn1 AIFCHEM-94586363259 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.44 CCCCC(=O)Nc1ccncc1 AIFCHEM-94534099520 [2,0,0,0,0,0|2,0,0]=4 20 B15R1.83 CCCCCCC(=O)Nc1ccccc1 AIFCHEM-94521989168 [1,1,0,0,0,0|1,0,0]=3 21 B15R1.83 CCCCCCC(=O)Nc1ccncc1 AIFCHEM-94521979781 [1,1,0,0,0,0|2,0,0]=4 22 B15R1.83 CCCCCNC(=O)Cc1ccccn1 AIFCHEM-94576227661 [1,1,0,0,0,0|1,0,1]=4 23 B15R1.83 CCCCOCC(=O)Nc1cccnc1 AIFCHEM-94531012402 [1,1,0,0,0,0|2,0,0]=4 24 B15R1.93 CCCCNC(=O)C(C)c1ccccc1 AIFCHEM-5736745249 [1,1,0,0,0,0|1,0,1]=4 25 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 AIFCHEM-5726305228 [1,1,0,0,0,0|1,0,1]=4 26 B15R1.93 CCCCNC(=O)[C@H](C)c1ccccc1 AIFCHEM-94570984232 [1,1,0,0,0,0|1,0,1]=4 27 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586014354 [1,1,0,0,0,0|1,0,0]=3 28 B15R1.128 CCCCCC(=O)Nc1ccc(cn1)F AIFCHEM-94585551061 [1,1,0,0,0,0|2,0,0]=4 29 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br AIFCHEM-5695578276 [1,1,0,0,0,0|1,0,1]=4 30 B15R1.129 CCCCCC(=O)Nc1cc(ccn1)C AIFCHEM-94585555932 [1,1,0,0,0,0|2,0,0]=4 31 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523495878 [1,1,0,0,0,0|1,0,0]=3 32 B15R1.129 CCCCCC(=O)Nc1cccc(n1)C AIFCHEM-94585550053 [1,1,0,0,0,0|2,0,0]=4 33 B15R1.129 CCCCCC(=O)Nc1cncc(c1)I AIFCHEM-94585551709 [1,1,0,0,0,0|2,0,0]=4 34 B15R1.551 CCCCC(C)C(=O)Nc1ccncc1 AIFCHEM-94533901135 [1,1,0,0,0,0|2,0,0]=4 35 B15R1.964 CCC(C)CCC(=O)Nc1ccccn1 AIFCHEM-5962217347 [1,1,0,0,0,0|2,0,0]=4 36 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 AIFCHEM-94552042751 [1,1,0,0,0,0|2,0,0]=4 37 B15R1.1409 CCCCCC(=O)Nc1cccnc1O AIFCHEM-94551081872 [1,1,0,0,0,0|2,0,0]=4 38 B15R1.1409 CCCCCC(=O)Nc1ncccc1O AIFCHEM-94585549544 [1,1,0,0,0,0|2,0,0]=4 39 B15R1.3922 CCCCN(Cc1ccccc1)C(=O)C AIFCHEM-94685572657 [1,1,0,0,0,0|1,0,1]=4 40 B15R1.3474 CSCCCN(C(=O)C)c1ccccc1 AIFCHEM-99350780099 [0,1,0,0,1,0|2,0,0]=4 41 B17R1.26137 CCCCC(C)N(Cc1ccccc1)C(=O)C AIFCHEM-99350730742 [0,2,0,0,0,0|1,0,1]=4 42 B17R1.1923 CCCCCN(Cc1ccc(cc1)Br)C(=O)C AIFCHEM-98288216391 [0,2,0,0,0,0|1,0,1]=4 43 B17R1.1923 CCCCCN(Cc1ccc(cc1)C)C(=O)C AIFCHEM-94685485248 [0,2,0,0,0,0|1,0,1]=4 44 B17R1.1923 CCCCCN(Cc1ccc(cc1)Cl)C(=O)C AIFCHEM-99350533294 [0,2,0,0,0,0|1,0,1]=4 45 B17R1.1923 CCCCCN(Cc1ccc(cc1)F)C(=O)C AIFCHEM-98288742493 [0,2,0,0,0,0|1,0,1]=4 46 B17R1.1923 CCCCCN(Cc1ccc(cc1)O)C(=O)C AIFCHEM-94685294854 [0,2,0,0,0,0|1,0,1]=4 47 B17R1.1933 CCCCCN(Cc1cccc(c1)Br)C(=O)C AIFCHEM-99350934243 [0,2,0,0,0,0|1,0,1]=4 48 B17R1.1933 CCCCCN(Cc1cccc(c1)C)C(=O)C AIFCHEM-99350488732 [0,2,0,0,0,0|1,0,1]=4 49 B17R1.1933 CCCCCN(Cc1cccc(c1)Cl)C(=O)C AIFCHEM-94686349186 [0,2,0,0,0,0|1,0,1]=4 50 B17R1.1933 CCCCCN(Cc1cccc(c1)F)C(=O)C AIFCHEM-98288316731 [0,2,0,0,0,0|1,0,1]=4 51 B17R1.1933 CCCCCN(Cc1cccc(c1)O)C(=O)C AIFCHEM-98288758049 [0,2,0,0,0,0|1,0,1]=4 52 B17R1.1941 C#CC(=O)N(CCCCC)Cc1ccccc1 AIFCHEM-96333359155 [0,2,0,0,0,0|1,0,1]=4 53 B17R1.1941 CCCCCN(Cc1ccccc1)C(=O)CC AIFCHEM-95157833239 [0,2,0,0,0,0|1,0,1]=4 54 B17R1.1941 CCCCCN(Cc1ccccc1)C(=O)CO AIFCHEM-97888754695 [0,2,0,0,0,0|1,0,1]=4 55 B17R1.1944 CCCCCN(Cc1ccccc1Br)C(=O)C AIFCHEM-98288594551 [0,2,0,0,0,0|1,0,1]=4 56 B17R1.1944 CCCCCN(Cc1ccccc1C)C(=O)C AIFCHEM-94685525070 [0,2,0,0,0,0|1,0,1]=4 57 B17R1.1944 CCCCCN(Cc1ccccc1Cl)C(=O)C AIFCHEM-94685175439 [0,2,0,0,0,0|1,0,1]=4 58 B17R1.1944 CCCCCN(Cc1ccccc1F)C(=O)C AIFCHEM-98288765971 [0,2,0,0,0,0|1,0,1]=4 59 B17R1.1944 CCCCCN(Cc1ccccc1O)C(=O)C AIFCHEM-98290687625 [0,2,0,0,0,0|1,0,1]=4 60 B15R2.2203 CCCCNc1cc2ccccc2s1 AIFCHEM-94523038105 [1,0,0,1,0,0|1,1,0]=4 61 B15R2.2203 CCCNCc1cc2ccccc2s1 AIFCHEM-5875428669 [1,0,0,1,0,0|1,1,0]=4 62 B15R2.16446 O=C(CN1CCC1)Nc2ccccc2 AIFCHEM-94552038739 [1,0,0,1,0,0|2,0,0]=4 63 B15R2.5 CCCNCc1csc2c1cccc2 AIFCHEM-94569018430 [0,0,0,1,1,0|1,1,0]=4 64 B17R2.268 CCCNCc1cnc(s1)c2ccccc2 AIFCHEM-5853111551 [0,0,0,1,0,1|2,0,0]=4 65 B17R2.2708 CCCNCc1ccc2ccccc2c1O AIFCHEM-5875502580 [0,0,0,1,0,1|1,0,1]=4 66 B17R2.73925 CCCCNc1ccc2cc(ccc2c1)Br AIFCHEM-94523041021 [0,1,0,1,0,0|2,0,0]=4 67 B17R2.103529 CCCCNc1ccc2c(cccc2c1)O AIFCHEM-94523035290 [0,1,0,1,0,0|2,0,0]=4 68 B17R2.3299 CCCCNCc1cc2ccccc2n1C AIFCHEM-94570972357 [0,1,0,1,0,0|2,0,0]=4 69 B17R2.3299 CCCCNCc1oc2ccccc2c1Cl AIFCHEM-94562096974 [0,1,0,1,0,0|2,0,0]=4 70 B17R2.3299 CCCCNCc1sc2ccccc2c1Br AIFCHEM-94570969414 [0,1,0,1,0,0|2,0,0]=4 71 B17R2.5879 CCCCC=Cc1ccc2ccccc2c1 AIFCHEM-6322077027 [0,1,0,1,0,0|1,0,1]=4 72 B17R2.5879 CCCCCNc1ccc2cnccc2c1 AIFCHEM-94551430459 [0,1,0,1,0,0|2,0,0]=4 73 B17R2.5879 CCCCNCc1cc2ccccc2cn1 AIFCHEM-94570973863 [0,1,0,1,0,0|2,0,0]=4 74 B17R2.12116 CCCCNc1cc2ccccc2cc1I AIFCHEM-94523028960 [0,1,0,1,0,0|2,0,0]=4 75 B17R2.12116 CCCNCc1cc2ccccc2cc1O AIFCHEM-5790553831 [0,1,0,1,0,0|1,0,1]=4 76 B17R2.159069 CC(=O)N(Cc1ccccc1)CC2CCC2 AIFCHEM-40378840382 [0,1,0,1,0,0|1,0,1]=4 77 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 AIFCHEM-94572978032 [0,1,0,1,0,0|2,0,0]=4 78 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 AIFCHEM-94572979476 [0,1,0,1,0,0|2,0,0]=4 79 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 AIFCHEM-6395015865 [0,1,0,1,0,0|2,0,0]=4 80 B17R2.5669 C[C@@H](O)CNCc1ccc2ccccc2c1 AIFCHEM-6490476301 [0,1,0,1,0,0|2,0,0]=4 81 B17R2.5669 C[C@H](O)CNCc1ccc2ccccc2c1 AIFCHEM-6509782750 [0,1,0,1,0,0|2,0,0]=4 82 B17R2.2023 CCCCNc1ccc2cccc(c2c1)Br AIFCHEM-94523032877 [0,1,0,1,0,0|2,0,0]=4 83 B17R2.2023 CCCCNc1cnc2cccc(c2c1)Cl AIFCHEM-94523031594 [0,1,0,1,0,0|2,0,0]=4 84 B17R2.2023 CCCCNc1cnc2cccc(c2c1)O AIFCHEM-94523030356 [0,1,0,1,0,0|2,0,0]=4 85 B17R2.556 CCC(C)CNc1cnc2ccccc2c1 AIFCHEM-94605764879 [0,1,0,1,0,0|2,0,0]=4 86 B17R3.123564 c1ccc2cc(ccc2c1)CN3CCC3 AIFCHEM-5996385166 [0,0,0,2,0,0|2,0,0]=4 87 B13R1.24 CCCCCN(C)c1ccccc1 AIFCHEM-94551422681 [1,0,0,0,1,0|1,0,1]=4 88 B15R1.78 CCCNCC(=O)OCc1ccccc1 AIFCHEM-94569013856 [1,0,0,0,0,1|1,0,1]=4 89 B15R1.78 CCCOCC(=O)NCc1ccccc1 AIFCHEM-5876740065 [1,0,0,0,0,1|1,0,1]=4