0 B14R1.716 CCC(=O)NCCSc1ccccc1 CSC000204066 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.716 CCC(=O)OCCCc1ccccc1 CSC000006338 [0,0,0,0,0,0|0,0,2]=2 2 B14R1.716 CCC(=O)OCCOc1ccccc1 CSC000000837 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.716 CNC(=O)CCSCc1ccccc1 CSC000019825 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.716 COC(=O)CCCOc1ccccc1 CSC000148025 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.716 COC(=O)CCOCc1ccccc1 CSC011246440 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.716 COC(=O)CCSCc1ccccc1 CSC000172166 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.716 COC(=O)NCCOc1ccccc1 CSC000186252 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.716 NCC(=O)NCCSc1ccccc1 CSC000214000 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.337 CC(=O)NCCOc1ccccc1 CSC000152567 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [1,0,0,0,0,0|0,0,2]=3 11 B13R1.337 CC(=O)OCCOc1ccccc1 CSC000000575 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.337 CC(=O)OCCSc1ccccc1 CSC009876666 [1,0,0,0,0,0|1,0,1]=3 13 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C CSC046717403 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.26 CCC(=O)NCCSc1ccc(cc1)C CSC026856118 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.26 CCC(=O)NCCSc1ccc(cc1)Cl CSC048943997 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.452 CCC(CC)NCC=Cc1ccccc1 CSC011192357 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 CSC000155385 [0,1,0,0,0,0|1,0,2]=4 18 B15R1.778 CCNC(=O)CCCOc1ccccc1 CSC000160089 [0,1,0,0,0,0|2,0,1]=4 19 B15R1.778 CCNC(=O)CCSCc1ccccc1 CSC047863082 [0,1,0,0,0,0|2,0,1]=4 20 B15R1.778 CCOC(=O)CCCSc1ccccc1 CSC000170788 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.778 CNCC(=O)NCCCc1ccccc1 CSC000168111 [0,1,0,0,0,0|1,0,2]=4 22 B15R1.778 CNCC(=O)NCCOc1ccccc1 CSC000213121 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.778 CNCC(=O)NCCSc1ccccc1 CSC000213148 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.778 COCC(=O)NCCCc1ccccc1 CSC000161166 [0,1,0,0,0,0|1,0,2]=4 25 B15R1.778 COCC(=O)NCCOc1ccccc1 CSC000160443 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.778 COCC(=O)NCCSc1ccccc1 CSC000207187 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.778 NCCC(=O)NCCCc1ccccc1 CSC011368975 [0,1,0,0,0,0|1,0,2]=4 28 B15R1.778 NCCC(=O)NCCOc1ccccc1 CSC011512918 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.778 NCCC(=O)NCCSc1ccccc1 CSC011385072 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 CSC000233571 [0,1,0,0,0,0|2,0,1]=4 31 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 CSC000155013 [0,1,0,0,0,0|3,0,0]=4 32 B15R1.959 COC(=O)CCNC(=O)c1ccccc1 CSC000151007 [0,1,0,0,0,0|3,0,0]=4 33 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 CSC000012635 [0,1,0,0,0,0|3,0,0]=4 34 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl CSC048220946 [0,1,0,0,0,0|2,0,1]=4 35 B15R1.3664 CC(C)C(=O)NCCSc1ccccc1 CSC000204064 [0,1,0,0,0,0|2,0,1]=4 36 B15R1.3664 CC(C)C(=O)OCCOc1ccccc1 CSC000000728 [0,1,0,0,0,0|1,0,1]=3 37 B15R1.3664 CC(C)C(C)NCC=Cc1ccccc1 CSC011647345 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.3664 CC(N)C(=O)NCCCc1ccccc1 CSC011368976 [0,1,0,0,0,0|1,0,2]=4 39 B15R1.3664 CC(N)C(=O)NCCOc1ccccc1 CSC011512934 [0,1,0,0,0,0|2,0,1]=4 40 B15R1.3664 CC(N)C(=O)NCCSc1ccccc1 CSC011385073 [0,1,0,0,0,0|2,0,1]=4 41 B15R1.3664 C[C@@H](N)C(=O)NCCOc1ccccc1 CSC011512936 [0,1,0,0,0,0|2,0,1]=4 42 B15R1.3664 C[C@@H](N)C(=O)NCCSc1ccccc1 CSC011505859 [0,1,0,0,0,0|2,0,1]=4 43 B15R1.3664 C[C@H](N)C(=O)NCCOc1ccccc1 CSC011512935 [0,1,0,0,0,0|2,0,1]=4 44 B15R1.3664 C[C@H](N)C(=O)NCCSc1ccccc1 CSC011422719 [0,1,0,0,0,0|2,0,1]=4 45 B15R2.79765 CCC(=O)N1CCCc2c1cccc2 CSC000152747 [0,0,0,1,0,0|1,0,2]=4 46 B15R2.79765 COC(=O)c1nccc2c1cccc2 CSC011526129 [0,0,0,1,0,0|3,0,0]=4 47 B13R1.718 CCC(=O)OCCc1ccccc1 CSC000024285 [0,0,0,0,1,0|0,0,1]=2 48 B13R1.718 CNC(=O)CCSc1ccccc1 CSC000159960 [0,0,0,0,1,0|2,0,1]=4 49 B13R1.718 CNC(=O)CSCc1ccccc1 CSC000149384 [0,0,0,0,1,0|2,0,1]=4 50 B13R1.718 CNC(=O)NCCc1ccccc1 CSC000235216 [0,0,0,0,1,0|2,0,1]=4 51 B13R1.718 COC(=O)CCCc1ccccc1 CSC011295115 [0,0,0,0,1,0|1,0,2]=4 52 B13R1.718 COC(=O)CCOc1ccccc1 CSC000149921 [0,0,0,0,1,0|2,0,1]=4 53 B13R1.718 COC(=O)CCSc1ccccc1 CSC000149870 [0,0,0,0,1,0|2,0,1]=4 54 B13R1.718 COC(=O)CSCc1ccccc1 CSC000151540 [0,0,0,0,1,0|2,0,1]=4 55 B13R1.718 COC(=O)NCCc1ccccc1 CSC000235985 [0,0,0,0,1,0|2,0,1]=4 56 B15R1.962 CCC(=O)NCCCOc1ccccc1 CSC000229722 [0,0,0,0,0,1|1,0,2]=4 57 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 CSC015363907 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 CSC000158312 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br CSC009811543 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.818 CC(CCc1ccccc1)OC(=O)C CSC000033637 [1,1,0,0,0,0|0,0,2]=4 61 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br CSC012059244 [0,1,0,0,1,0|1,0,1]=4 62 B14R1.163 CCC(=O)NCC(O)c1ccccc1 CSC000192752 [0,1,0,0,1,0|1,0,1]=4 63 B14R1.163 COC(=O)CNC(=O)c1ccccc1 CSC000150126 [0,1,0,0,1,0|2,0,0]=4 64 B16R1.932 CCOC(=O)NN=CC=Cc1ccccc1 CSC046088461 [0,1,0,0,0,1|1,0,1]=4 65 B16R1.934 CCOC(=O)CCC(=O)Nc1ccccc1 CSC000158315 [0,2,0,0,0,0|2,0,0]=4 66 B16R1.934 CNCC(=O)NCC(=O)Nc1ccccc1 CSC017396731 [0,2,0,0,0,0|2,0,0]=4 67 B16R1.934 NCCC(=O)NCC(=O)Nc1ccccc1 CSC019598708 [0,2,0,0,0,0|2,0,0]=4 68 B16R1.4132 CC(N)C(=O)NCC(=O)Nc1ccccc1 CSC000056821 [0,2,0,0,0,0|2,0,0]=4 69 B16R1.4132 C[C@@H](N)C(=O)NCC(=O)Nc1ccccc1 CSC017349853 [0,2,0,0,0,0|2,0,0]=4 70 B16R1.4132 C[C@H](N)C(=O)NCC(=O)Nc1ccccc1 CSC039749478 [0,2,0,0,0,0|2,0,0]=4 71 B14R2.3018 C(NC1CC1)C=Cc2ccccc2 CSC000215890 [1,0,0,1,0,0|1,0,1]=4 72 B14R2.68 O=C1CCC(=NN1)c2ccccc2 CSC000005677 [0,0,0,1,1,0|2,0,0]=4 73 B14R2.95 CCC(=O)N1CCc2c1cccc2 CSC000155369 [0,0,0,1,1,0|1,0,1]=4 74 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 CSC000159791 [0,0,0,1,0,1|2,0,0]=4 75 B16R2.14 COC(=O)CCn1ccc2c1cccc2 CSC000241762 [0,0,0,1,0,1|2,0,0]=4 76 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 CSC000154012 [0,0,0,1,0,1|1,0,1]=4 77 B16R2.170412 CCC(=O)Oc1cccc2c1cccc2 CSC000002022 [0,0,0,1,0,1|0,0,1]=3 78 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 CSC000154016 [0,1,0,1,0,0|1,0,1]=4 79 B16R2.5347 CCC(=O)Oc1ccc2ccccc2c1 CSC000002294 [0,1,0,1,0,0|0,0,1]=3 80 B16R2.5 CCOC(=O)Cn1ccc2c1cccc2 CSC000187896 [0,1,0,1,0,0|2,0,0]=4 81 B16R2.120 O=C(N1CCC(=O)CC1)c2ccccc2 CSC000162437 [0,1,0,1,0,0|2,0,0]=4 82 B16R2.1181 CCC(=O)NCc1nc2ccccc2[nH]1 CSC000152317 [0,1,0,1,0,0|2,0,0]=4 83 B16R2.2843 O=C(Nc1ccccc1)C2CCC(=O)N2 CSC000153487 [0,1,0,1,0,0|2,0,0]=4 84 B16R2.33951 CCC(=O)N1CC(=O)Nc2c1cccc2 CSC000161835 [0,1,0,1,0,0|2,0,0]=4 85 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [1,0,0,0,1,0|1,0,1]=4 86 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [1,0,0,0,1,0|1,0,1]=4 87 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [1,0,0,0,1,0|1,0,1]=4 88 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [1,0,0,0,1,0|0,0,1]=3 89 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,0,0,0,2,0|1,0,0]=3 90 B12R1.27 CCC(=O)NCc1ccccn1 CSC000154896 [0,0,0,0,2,0|2,0,0]=4 91 B12R1.27 CCC(=O)NCc1cccnc1 CSC000154920 [0,0,0,0,2,0|2,0,0]=4 92 B12R1.27 CCC(=O)NCc1ccncc1 CSC000154908 [0,0,0,0,2,0|2,0,0]=4 93 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [0,0,0,0,2,0|2,0,0]=4 94 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,0,0,0,2,0|0,0,0]=2 95 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,0,0,0,2,0|1,0,1]=4 96 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [0,0,0,0,2,0|2,0,0]=4 97 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [0,0,0,0,2,0|2,0,0]=4 98 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [0,0,0,0,2,0|2,0,0]=4 99 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,0,0,0,2,0|2,0,0]=4 100 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [0,0,0,0,2,0|2,0,0]=4 101 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [0,0,0,0,2,0|2,0,0]=4 102 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,0,0,0,2,0|2,0,0]=4