0 B16R2.36 CC(=O)NCCN1CCc2c1cccc2 AIFCHEM-94529312673 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.4 COC(=O)CNCc1csc2c1cccc2 AIFCHEM-6233341541 [0,1,0,0,0,0|3,0,0]=4 2 B17R2.4 O=C(CO)NCCN1CCc2c1cccc2 AIFCHEM-94529313080 [0,1,0,0,0,0|2,0,1]=4 3 B17R2.25462 CC(=O)NCCC1=CNC2C1C=C(C=C2)O AIFCHEM-94608283092 [0,1,0,0,0,0|0,0,2]=3 4 B15R1.504 CC(=O)OCCCCNc1ccccc1 AIFCHEM-94552036878 [0,0,1,0,0,0|1,0,2]=4 5 B17R3.26 Cc1nc(c[nH]1)c2c[nH]c3c2cccc3 AIFCHEM-6339225928 [0,0,0,1,0,0|1,0,2]=4 6 B15R2.6 CC(C)NCc1n[nH]c2c1cccc2 AIFCHEM-94520540588 [0,0,0,0,1,0|2,0,1]=4 7 B17R2.137 NC(=O)CCNCc1csc2c1cccc2 AIFCHEM-5886701819 [0,0,0,0,0,1|3,0,0]=4 8 B14R1.159 CC(=O)NCCOc1ccccc1Cl AIFCHEM-6256903415 [1,0,1,0,0,0|2,0,0]=4 9 B16R1.695 CC=Cc1ccccc1OCCNC(=O)C AIFCHEM-62321241339 [0,1,1,0,0,0|2,0,0]=4 10 B16R1.610 CC(=O)NCCCC(=O)Nc1ccccn1 AIFCHEM-94586367773 [0,1,1,0,0,0|1,0,1]=4 11 B16R1.610 CC(=O)NCCCC(=O)Nc1cccnc1 AIFCHEM-94531012894 [0,1,1,0,0,0|1,0,1]=4 12 B18R2.11 CC(=O)CNC(=O)Cc1coc2c1cccc2 AIFCHEM-6074992762 [0,1,0,0,0,1|1,0,1]=4 13 B18R2.11 CC(=O)NCC(C)Nc1csc2c1nccc2 AIFCHEM-6110529135 [0,1,0,0,0,1|2,0,0]=4 14 B18R2.11 CC(C)CNC(C)Cc1c[nH]c2c1cccc2 AIFCHEM-94550362592 [0,1,0,0,0,1|1,0,1]=4 15 B18R2.375 COC(=O)CCNCc1coc2c1cccc2 AIFCHEM-6131101050 [0,1,0,0,0,1|2,0,0]=4 16 B18R2.131795 Cn1cc(c2c1cccc2)CNCCC(=O)N AIFCHEM-5952823875 [0,1,0,0,0,1|2,0,0]=4 17 B18R2.1 CC(CF)NC(C)Cc1c[nH]c2c1cccc2 AIFCHEM-94550364322 [0,2,0,0,0,0|1,0,1]=4 18 B18R2.1 CC(Cc1c[nH]c2c1cccc2)N[C@@H](C)CF AIFCHEM-94550359037 [0,2,0,0,0,0|1,0,1]=4 19 B18R2.1 CC(Cc1c[nH]c2c1cccc2)N[C@H](C)CF AIFCHEM-94550356742 [0,2,0,0,0,0|1,0,1]=4 20 B14R2.2 CC(=O)Nc1n[nH]c2c1cncc2 AIFCHEM-94605357135 [0,0,0,0,2,0|2,0,0]=4 21 B14R2.2 CC(=O)Nc1nsc2c1cccc2 AIFCHEM-94535594256 [0,0,0,0,2,0|2,0,0]=4 22 B16R1.7414 CC(=O)NCCC(=O)Nc1ccccc1Cl AIFCHEM-94546075486 [0,0,1,0,0,1|2,0,0]=4 23 B16R1.10817 CC(=O)NCCNC(=O)c1ccccc1C AIFCHEM-5902735036 [0,0,1,0,0,1|2,0,0]=4 24 B18R2.176 CC(=O)OCCNCc1n[nH]c2c1cccc2 AIFCHEM-5598394658 [0,0,0,0,0,2|2,0,0]=4 25 B18R2.176 O=C(O)NCCNCc1c[nH]c2c1nccc2 AIFCHEM-94535745997 [0,0,0,0,0,2|2,0,0]=4 26 B15R2.377 CC(=O)Nc1c[nH]c2c1ncc(c2)Br AIFCHEM-6251727349 [0,1,0,0,2,0|1,0,0]=4 27 B15R2.9410 CC(=O)Nc1n[nH]c2c1cc(cc2)Br AIFCHEM-94608794821 [0,1,0,0,2,0|1,0,0]=4 28 B15R2.9410 CC(=O)Nc1n[nH]c2c1cc(cc2)F AIFCHEM-6038995559 [0,1,0,0,2,0|1,0,0]=4 29 B15R2.53147 CC(=O)Nc1nn(c2c1cccc2)C AIFCHEM-94535597939 [0,1,0,0,2,0|1,0,0]=4 30 B17R1.1324 CC(=O)NCCCC(=O)NCc1ccccc1 AIFCHEM-94554639658 [0,1,1,0,0,1|0,0,1]=4 31 B17R1.1120 CC(=O)NCCCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608725407 [0,2,1,0,0,0|0,0,1]=4 32 B17R1.1120 CC(=O)NCCCC(=O)Nc1ccc(cc1)F AIFCHEM-94540072079 [0,2,1,0,0,0|0,0,1]=4 33 B17R1.14406 CC(=O)NCCCC(=O)Nc1cccc(c1)Br AIFCHEM-94552708762 [0,2,1,0,0,0|0,0,1]=4 34 B17R1.14406 CC(=O)NCCCC(=O)Nc1cccc(c1)C AIFCHEM-6100912879 [0,2,1,0,0,0|0,0,1]=4 35 B17R1.14406 CC(=O)NCCCC(=O)Nc1cccc(c1)O AIFCHEM-94542288660 [0,2,1,0,0,0|0,0,1]=4 36 B17R2.289 CCN(Cc1csc2c1cccc2)C(=O)C AIFCHEM-94685250948 [0,2,0,0,1,0|1,0,0]=4 37 B17R2.289 CCN(Cc1n[nH]c2c1cccc2)C(=O)C AIFCHEM-94685619018 [0,2,0,0,1,0|1,0,0]=4 38 B19R2.197 CC(=O)NCCC(=O)Nc1n[nH]c2c1cccc2 AIFCHEM-5634133215 [0,1,0,0,0,2|1,0,0]=4 39 B19R2.4504 CC(=O)OCCNCc1c[nH]c2c1ccc(c2)Cl AIFCHEM-5598135199 [0,1,0,0,0,2|1,0,0]=4 40 B19R2.8748 CC(=O)NCCNC(=O)c1c[nH]c2c1cccc2 AIFCHEM-5902794078 [0,1,0,0,0,2|0,0,0]=3 41 B19R2.64099 CC(=O)NCCNCc1csc2c1cc(cc2)Cl AIFCHEM-5920460357 [0,1,0,0,0,2|1,0,0]=4 42 B19R2.64099 O=C(O)NCCNCc1c[nH]c2c1cc(cc2)F AIFCHEM-94535745682 [0,1,0,0,0,2|1,0,0]=4 43 B19R2.92670 Cc1cccc2c1[nH]cc2CNCCNC(=O)O AIFCHEM-94535747071 [0,1,0,0,0,2|1,0,0]=4 44 B19R2.92670 O=C(O)NCCNCc1c[nH]c2c1cccc2Cl AIFCHEM-94535743004 [0,1,0,0,0,2|1,0,0]=4 45 B19R2.216775 Cn1cc(c2c1cccc2)CNCCNC(=O)O AIFCHEM-94535745190 [0,1,0,0,0,2|1,0,0]=4 46 B19R2.4505 CC(=O)CNC(=O)Cc1c[nH]c2c1ccc(c2)F AIFCHEM-6038535863 [0,2,0,0,0,1|0,0,1]=4 47 B19R2.64100 CC(=O)CNC(=O)Cc1c[nH]c2c1cc(cc2)F AIFCHEM-6057982424 [0,2,0,0,0,1|0,0,1]=4 48 B19R2.92812 CC(=O)CNC(=O)Cc1c[nH]c2c1c(ccc2)F AIFCHEM-6038897353 [0,2,0,0,0,1|0,0,1]=4 49 B19R2.153771 COC(=O)CCNCc1c([nH]c2c1cccc2)Br AIFCHEM-6150272924 [0,2,0,0,0,1|1,0,0]=4 50 B19R2.26 C#CCNC(=O)CCCc1c[nH]c2c1cccc2 AIFCHEM-94588314591 [0,3,0,0,0,0|1,0,0]=4 51 B19R2.26 CCCNC(=O)CCCc1c[nH]c2c1cccc2 AIFCHEM-94593423858 [0,3,0,0,0,0|1,0,0]=4 52 B19R2.26 O=C(CCCc1c[nH]c2c1cccc2)NCCF AIFCHEM-94593423057 [0,3,0,0,0,0|1,0,0]=4 53 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 AIFCHEM-94535593794 [1,0,1,1,0,0|0,0,1]=4 54 B17R2.246 CC(=O)NC1CC=C(CC1)c2ccccc2 AIFCHEM-98288377556 [0,0,1,1,0,1|1,0,0]=4 55 B17R2.224 O=C(CO)N1CC=C(CC1)c2ccccc2 AIFCHEM-94532682627 [0,1,1,1,0,0|1,0,0]=4 56 B17R2.213 CC(=O)N1CC=C(CC1)c2ccc(cc2)O AIFCHEM-94562881467 [0,1,1,1,0,0|1,0,0]=4 57 B17R2.3358 CC(=O)N1CC=C(CC1)c2cccc(c2)O AIFCHEM-94595706506 [0,1,1,1,0,0|1,0,0]=4 58 B17R2.3935 CC(=O)N1CC=C(CC1)c2ccccc2N AIFCHEM-94569937371 [0,1,1,1,0,0|1,0,0]=4 59 B19R3.3759 O=C1CC(CN1)NCc2csc3c2cccc3 AIFCHEM-5690271195 [0,0,0,1,0,2|1,0,0]=4 60 B19R3.3759 O=C1C[C@H](CN1)NCc2csc3c2cccc3 AIFCHEM-6087917342 [0,0,0,1,0,2|1,0,0]=4 61 B19R3.9780 O=C1CN(CCN1)Cc2n[nH]c3c2cccc3 AIFCHEM-5764677189 [0,0,0,1,0,2|1,0,0]=4 62 B19R3.50998 O=C1CC(CN1)Nc2cnc3ccccc3c2 AIFCHEM-94605761925 [0,0,0,1,0,2|0,0,1]=4 63 B19R3.245714 C#CC(=O)N1CCc2c([nH]c3c2cccc3)C1 AIFCHEM-94525194819 [0,2,0,1,0,0|0,0,1]=4 64 B19R3.8769 CC(=O)N1CCC2(C1)C(=O)Nc3c2cccc3 AIFCHEM-94535592839 [0,2,0,1,0,0|0,0,1]=4 65 B19R3.202037 CC(=O)NC1CCc2[nH]c3ccccc3c2C1 AIFCHEM-5617653026 [0,2,0,1,0,0|0,0,0]=3 66 B19R3.202037 CC(=O)N[C@@H]1CCc2[nH]c3ccccc3c2C1 AIFCHEM-94535589182 [0,2,0,1,0,0|0,0,0]=3 67 B19R3.202037 CC(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 AIFCHEM-5767837835 [0,2,0,1,0,0|0,0,0]=3 68 B19R2.1021309 CC(=O)NCCNCc1ccnc2c1cccc2 AIFCHEM-5901702671 [0,0,0,0,0,3|0,0,1]=4 69 B19R2.1021309 CC(=O)NCCNCc1nccc2c1cccc2 AIFCHEM-5976312365 [0,0,0,0,0,3|1,0,0]=4