0 B13R1.589 CC(=O)Nc1ccccc1C(=O)N CSC000187177 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.589 CC(=O)Oc1ccccc1C(=O)N CSC000019317 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.589 CC(C)Oc1ccccc1C(=O)N CSC000006597 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.589 CC(C)Sc1ccccc1C(=O)N CSC000027369 [0,0,0,0,0,0|2,1,1]=4 4 B13R1.589 CC(C)c1ccccc1NC(=O)C CSC000155373 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.589 CN(C)c1ccccc1NC(=O)C CSC011242852 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.75 CC(=O)Nc1ccccc1C#N CSC000151996 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.75 CC(=O)Oc1ccccc1C#N CSC000001326 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.283 CCOc1ccccc1[N+](=O)[O-] CSC000005811 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.283 CCSc1ccccc1C(=O)N CSC000019821 [1,0,0,0,0,0|1,1,1]=4 12 B14R1.164 CC(=O)Oc1cc(ccc1[N+](=O)[O-])F CSC000001394 [0,1,0,0,0,0|1,0,1]=3 13 B14R1.744 CC(C)Oc1ccccc1C(=O)NN CSC010704116 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.744 CCC(=O)c1ccccc1NC(=O)C CSC009861000 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.744 COC(=O)c1ccccc1OC(=O)C CSC000001831 [0,1,0,0,0,0|0,0,0]=1 16 B14R1.744 COC(=O)c1ccccc1OC(F)F CSC000151594 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)C CSC000243491 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N CSC000189134 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.3302 CNC(=O)Cc1ccccc1[N+](=O)[O-] CSC015656961 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.3302 COC(=O)Cc1ccccc1[N+](=O)[O-] CSC000171414 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.3302 COC(=O)Nc1ccccc1C(=O)N CSC000216172 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)C)Br CSC009813165 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Cl CSC020586502 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.261 NC(=O)c1ccccc1[N+](=O)[O-] CSC000187317 [0,0,0,0,1,0|2,0,1]=4 25 B14R1.814 CC(=O)Nc1ccccc1OC(=O)C CSC000030220 [0,0,0,0,0,1|1,0,0]=2 26 B14R1.814 CC(=O)Nc1cccnc1NC(=O)C CSC010501823 [0,0,0,0,0,1|3,0,0]=4 27 B14R1.4522 CC(=O)COc1ccccc1[N+](=O)[O-] CSC000150660 [0,0,0,0,0,1|1,0,1]=3 28 B14R1.4522 CC(=O)NNc1ccccc1[N+](=O)[O-] CSC000003002 [0,0,0,0,0,1|2,0,1]=4 29 B14R1.4522 CC(=O)c1ccccc1OCC(=O)N CSC000150746 [0,0,0,0,0,1|2,0,0]=3 30 B14R1.4522 CC(C)COc1ccccc1C(=O)C CSC000173562 [0,0,0,0,0,1|2,0,1]=4 31 B14R1.4522 NC(=O)c1ccccc1OCC(=C)Cl CSC035644939 [0,0,0,0,0,1|2,0,1]=4 32 B11R1.41 CCOc1ccccc1CO CSC000708577 [2,0,0,0,0,0|0,0,2]=4 33 B11R1.86 CC(=O)Nc1ccccc1Br CSC000153524 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.86 CC(=O)Nc1ccccc1C CSC000153662 [2,0,0,0,0,0|1,0,1]=4 35 B11R1.86 CC(=O)Nc1ccccc1Cl CSC000153741 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.86 CC(=O)Nc1ccccc1F CSC000154224 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.86 CC(=O)Nc1ccccc1I CSC000154044 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.86 CC(=O)Nc1ncccc1O CSC000022013 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.86 CC(=O)Oc1ccccc1C CSC000001913 [2,0,0,0,0,0|0,0,1]=3 40 B11R1.86 CC(=O)Oc1ccccc1F CSC000001835 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [2,0,0,0,0,0|1,1,0]=4 43 B13R1.380 CC(=O)Oc1ccccc1CC=C CSC000051687 [1,1,0,0,0,0|1,0,0]=3 44 B13R1.141 CCOc1ccc(cc1C(=O)C)Br CSC000173016 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.141 CCOc1ccc(cc1C(=O)C)F CSC000173015 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl CSC000019274 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.356 CCOc1cc(ccc1C(=O)C)C CSC000241638 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.356 CCOc1cc(ccc1C(=O)C)F CSC011802305 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.382 CCOc1ccccc1C(=O)NN CSC000189797 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.382 CCOc1ccccc1C(=O)OC CSC000148976 [1,1,0,0,0,0|0,0,1]=3 51 B13R1.572 CCCOc1ccccc1C(=O)C CSC000173325 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.572 CCCOc1ccccc1C(=O)N CSC000006573 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.572 NC(=O)c1ccccc1OCC=C CSC000172357 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.551 COC(=O)c1ccsc1NC(=O)C CSC000048906 [0,1,0,0,1,0|2,0,0]=4 55 B13R1.551 COC(=O)c1sccc1NC(=O)C CSC000215530 [0,1,0,0,1,0|2,0,0]=4 56 B15R1.3845 CCC(=O)Nc1ccccc1CC(=O)O CSC011696022 [0,1,0,0,0,1|1,0,0]=3 57 B15R1.3845 CCC(=O)Nc1ccccc1NC(=O)C CSC033697927 [0,1,0,0,0,1|2,0,0]=4 58 B15R1.3845 COC(=O)Cc1ccccc1NC(=O)C CSC010160855 [0,1,0,0,0,1|1,0,0]=3 59 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)C CSC000060143 [0,1,0,0,0,1|2,0,0]=4 60 B15R1.11677 COC(=O)c1ccc(cc1NC(=O)C)Cl CSC000154637 [0,2,0,0,0,0|1,0,0]=3 61 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C CSC000019863 [0,2,0,0,0,0|2,0,0]=4 62 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)Br CSC009811626 [0,2,0,0,0,0|1,0,0]=3 63 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)Cl CSC000216480 [0,2,0,0,0,0|1,0,0]=3 64 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC CSC000205919 [0,2,0,0,0,0|2,0,0]=4 65 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)OC CSC000152667 [0,2,0,0,0,0|1,0,0]=3 66 B15R1.3847 CCC(=O)Oc1ccccc1C(=O)OC CSC034343655 [0,2,0,0,0,0|0,0,0]=2 67 B15R1.3847 COC(=O)Cc1ccccc1C(=O)OC CSC000070244 [0,2,0,0,0,0|1,0,0]=3 68 B15R1.11372 COC(=O)c1ccccc1CS(=O)(=O)C CSC013138136 [0,2,0,0,0,0|2,0,0]=4 69 B15R1.11372 COC(=O)c1ccccc1NS(=O)(=O)C CSC000165574 [0,2,0,0,0,0|2,0,0]=4 70 B15R1.38499 COC(=O)c1cccc(c1NC(=O)C)C CSC000030605 [0,2,0,0,0,0|1,0,0]=3 71 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)C CSC000153765 [0,2,0,0,0,0|2,0,0]=4 72 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N CSC000186394 [0,2,0,0,0,0|2,0,0]=4 73 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)O CSC011208156 [0,2,0,0,0,0|1,0,0]=3 74 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N CSC000188734 [0,2,0,0,0,0|2,0,0]=4 75 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)O CSC000194449 [0,2,0,0,0,0|1,0,0]=3 76 B15R1.6597 Cc1cccc(c1NS(=O)(=O)C)C(=O)O CSC011194170 [0,2,0,0,0,0|2,0,0]=4 77 B15R1.1927 COc1ccc(c(c1)C(=O)O)NC(=O)C CSC011593310 [0,2,0,0,0,0|1,0,0]=3 78 B13R2.371 O=c1[nH][nH]c(=O)c2c1cccc2 CSC000175151 [0,0,0,1,1,0|2,0,0]=4 79 B15R2.988 CC(=O)N1CC(=O)Nc2c1cccc2 CSC000161834 [0,0,0,1,0,1|2,0,0]=4 80 B15R2.14951 NC(=O)c1cc(=O)c2ccccc2o1 CSC000003356 [0,0,0,1,0,1|2,0,0]=4 81 B15R2.14951 NC(=O)c1cc(=O)c2ccccc2o1 CSC000003356 [0,0,0,1,0,1|2,0,0]=4 82 B15R2.53147 CC(=O)NC1CC(=O)c2c1cccc2 CSC010499844 [0,0,0,1,0,1|2,0,0]=4 83 B15R2.23388 COC(=O)C1CC(=O)c2c1cccc2 CSC000078521 [0,1,0,1,0,0|2,0,0]=4 84 B13R1.90 CC(=C)COc1ccccc1CO CSC011232748 [1,0,0,0,0,1|1,0,1]=4 85 B13R1.90 CC(=O)COc1ccccc1C#N CSC000171606 [1,0,0,0,0,1|1,0,1]=4 86 B13R1.90 CC(=O)OCc1ccccc1C#N CSC000000590 [1,0,0,0,0,1|1,0,1]=4 87 B13R1.587 CC(=O)Nc1cc(ccn1)C(=O)O CSC011356504 [0,0,0,0,1,1|2,0,0]=4 88 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C CSC000155543 [0,0,0,0,1,1|2,0,0]=4 89 B13R1.587 CC(=O)Oc1cccc(c1)C(=O)C CSC000002162 [0,0,0,0,1,1|1,0,0]=3 90 B13R1.587 CC(=O)Oc1cccc(c1)[N+](=O)[O-] CSC000002267 [0,0,0,0,1,1|1,0,1]=4 91 B15R1.8882 CC(=O)NN=Cc1ccccc1C(=O)O CSC021947868 [0,0,0,0,0,2|1,0,0]=3