0 B13R1.417 CCC(CC)NCc1ccccc1 CSC000196522 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.417 CCC(CO)NCc1ccccc1 CSC000180821 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.417 CC[C@@H](CO)NCc1ccccc1 CSC000700121 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.27 CCC(=O)NCc1ccccn1 CSC000154896 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.27 CCC(=O)NCc1cccnc1 CSC000154920 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.27 CCC(=O)NCc1ccncc1 CSC000154908 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.27 CNC(=O)NCc1ccccn1 CSC000233842 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.27 CNC(=O)NCc1cccnc1 CSC000233843 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.27 CNC(=O)NCc1ccncc1 CSC000235220 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.101 C(SC1=NCCS1)c2ccccc2 CSC000000673 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.101 C(Sc1ncc[nH]1)c2ccccc2 CSC009928223 [0,0,0,1,0,0|1,0,2]=4 26 B14R2.101 C(Sc1nnc[nH]1)c2ccccc2 CSC000000440 [0,0,0,1,0,0|2,0,1]=4 27 B12R1.118 CCN(CC)Cc1ccccc1 CSC000184721 [0,0,0,0,1,0|3,0,0]=4 28 B14R1.546 CCC(CC)NCCc1ccccc1 CSC000201710 [0,0,0,0,0,1|2,0,1]=4 29 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [2,0,0,0,0,0|1,0,1]=4 35 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [2,0,0,0,0,0|1,0,1]=4 37 B13R1.11 CCC(=O)NC(C)c1ccccc1 CSC000158022 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 CSC011908461 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.11 CNC(=O)CC(C)c1ccccc1 CSC000002954 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.11 COC(=O)NC(C)c1ccccc1 CSC000235971 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.14 CCC(=O)NCc1ccc(cc1)C CSC000154269 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl CSC000152853 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.14 CCC(=O)NCc1ccc(cc1)F CSC000152312 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.14 CCC(C)NCc1ccc(cc1)Br CSC000187027 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.14 CCC(C)NCc1ccc(cc1)C CSC000189136 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.14 CCC(C)NCc1ccc(cc1)Cl CSC000180880 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.14 CCC(C)NCc1ccc(cc1)F CSC000180881 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl CSC000022063 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.14 CNC(=O)CCc1ccc(cc1)F CSC000198136 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl CSC000235214 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.14 CNC(=O)NCc1ccc(cc1)F CSC000235249 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.14 COC(=O)NCc1ccc(cc1)Br CSC011472957 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.14 COC(=O)NCc1ccc(cc1)Cl CSC000235972 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.15 CCC(=O)NCc1cccc(c1)Br CSC011236840 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.15 CCC(=O)NCc1cccc(c1)C CSC011222327 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.15 CCC(C)NCc1cccc(c1)Br CSC000187015 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.15 CCC(C)NCc1cccc(c1)C CSC000223451 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.15 CCC(C)NCc1cccc(c1)Cl CSC000215858 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.15 COC(=O)NCc1cccc(c1)Br CSC011256846 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.15 COC(=O)NCc1cccc(c1)Cl CSC000236059 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.42 CCCC(=O)NCc1ccccc1 CSC000153126 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.42 CCNC(=O)CCc1ccccc1 CSC000160125 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.42 CNCC(=O)NCc1ccccn1 CSC011220384 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.42 CNCC(=O)NCc1cccnc1 CSC011243474 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.135 CCC(=O)N(C)Cc1ccccc1 CSC000152899 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.135 CNC(=O)[C@@H](N)Cc1ccccc1 CSC011422888 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.254 CCC(C)(C)NCc1ccccc1 CSC011200195 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.351 CC(C)C(=O)NCc1ccccc1 CSC000153120 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.351 CC(C)C(C)NCc1ccccc1 CSC000196735 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.351 CN(C)C(=O)CCc1ccccc1 CSC000159569 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.351 CN(C)C(=O)NCc1ccccc1 CSC000217963 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.351 CN(C)C(=O)NCc1cccnc1 CSC000233836 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.528 CCC(=O)NCc1ccccc1Br CSC011236884 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.528 CCC(=O)NCc1ccccc1C CSC000175811 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.528 CCC(=O)NCc1ccccc1Cl CSC000155630 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.528 CCC(C)NCc1ccccc1Br CSC000223441 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.528 CCC(C)NCc1ccccc1C CSC000215861 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.528 CCC(C)NCc1ccccc1Cl CSC000215857 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.528 CCC(C)NCc1ccccc1F CSC000215860 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.528 CNC(=O)CCc1ccccc1Br CSC009814840 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.528 CNC(=O)CCc1ccccc1Cl CSC000159727 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.528 CNC(=O)CCc1ccccc1F CSC015378911 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.528 CNC(=O)CCc1ccccc1N CSC011289560 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.528 CNC(=O)NCc1ccccc1Cl CSC000235227 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.528 COC(=O)NCc1ccccc1Cl CSC000236058 [1,1,0,0,0,0|2,0,0]=4 87 B15R2.2196 C(NCc1ccccc1)C2CCCN2 CSC011420329 [0,0,0,1,0,1|1,0,1]=4 88 B15R2.100 Clc1ccc(cc1)CSC2=NCCS2 CSC047518523 [0,1,0,1,0,0|2,0,0]=4 89 B15R2.118 CCc1nccn1Cc2ccccc2 CSC011220089 [0,1,0,1,0,0|1,0,1]=4 90 B15R2.1117 Brc1cccc(c1)CSC2=NCCS2 CSC048916739 [0,1,0,1,0,0|2,0,0]=4 91 B15R2.55 Cn1ccnc1SCc2ccccc2 CSC000000349 [0,1,0,1,0,0|1,0,1]=4 92 B15R2.55 Cn1cnnc1SCc2ccccc2 CSC000000882 [0,1,0,1,0,0|1,0,1]=4 93 B15R2.55 Cn1nnnc1NCc2ccccc2 CSC000216270 [0,1,0,1,0,0|1,0,0]=3 94 B15R2.55 Cn1nnnc1SCc2ccccc2 CSC046079834 [0,1,0,1,0,0|2,0,0]=4 95 B15R2.283 Cn1cc(cn1)NCc2ccccc2 CSC000714287 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.25 CNC(=O)NCc1ccco1 CSC000233838 [1,0,0,0,1,0|2,0,0]=4 97 B11R1.25 CNC(=O)NCc1cccs1 CSC000233839 [1,0,0,0,1,0|2,0,0]=4 98 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [1,0,0,0,1,0|2,0,0]=4 99 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [1,0,0,0,1,0|2,0,0]=4 100 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [1,0,0,0,1,0|1,0,0]=3 101 B11R1.40 CNC(=O)Nc1ccccn1 CSC000024314 [1,0,0,0,1,0|2,0,0]=4 102 B11R1.40 CNC(=O)Nc1cccnc1 CSC000233841 [1,0,0,0,1,0|2,0,0]=4 103 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,0,0,0,2,0|1,0,1]=4 104 B13R1.718 CCC(C)NCCc1ccccc1 CSC000199858 [1,0,0,0,0,1|1,0,1]=4 105 B13R1.718 CNC(=O)CCSc1ccccc1 CSC000159960 [1,0,0,0,0,1|2,0,0]=4 106 B13R1.718 CNC(=O)CSCc1ccccc1 CSC000149384 [1,0,0,0,0,1|2,0,0]=4 107 B13R1.718 CNC(=O)NCCc1ccccc1 CSC000235216 [1,0,0,0,0,1|1,0,0]=3 108 B13R1.718 COC(=O)NCCc1ccccc1 CSC000235985 [1,0,0,0,0,1|2,0,0]=4