0 B13R2.10 O=C1CC(=NN1)c2cccnc2 CSC000175145 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,0,1,0,0,0|1,0,0]=2 2 B12R1.27 CCC(=O)NCc1ccccn1 CSC000154896 [0,0,1,0,0,0|2,0,0]=3 3 B12R1.27 CCC(=O)NCc1cccnc1 CSC000154920 [0,0,1,0,0,0|0,0,0]=1 4 B12R1.27 CCC(=O)NCc1ccncc1 CSC000154908 [0,0,1,0,0,0|2,0,0]=3 5 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [0,0,1,0,0,0|2,0,0]=3 6 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,0,1,0,0,0|2,0,0]=3 7 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,0,1,0,0,0|1,0,1]=3 8 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [0,0,1,0,0,0|2,0,0]=3 10 B12R1.27 CNC(=O)NCc1ccccn1 CSC000233842 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.27 CNC(=O)NCc1cccnc1 CSC000233843 [0,0,1,0,0,0|1,0,0]=2 12 B12R1.27 CNC(=O)NCc1ccncc1 CSC000235220 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [0,0,1,0,0,0|2,0,0]=3 14 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,0,1,0,0,0|2,0,0]=3 15 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,0,1,0,0,0|1,0,0]=2 16 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,0,1,0,0,0|2,0,0]=3 18 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,0,1,0,0,0|1,0,0]=2 19 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,0,1,0,0,0|1,0,0]=2 20 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,0,1,0,0,0|1,0,0]=2 25 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,0,1,0,0,0|2,0,0]=3 26 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,0,1,0,0,0|2,0,0]=3 27 B14R2.68 O=C1CCC(=NN1)c2ccccc2 CSC000005677 [0,0,0,0,0,1|1,0,1]=3 28 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,0,1,0,0,0|0,0,1]=3 31 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [1,0,1,0,0,0|0,0,0]=2 32 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [1,0,1,0,0,0|1,0,1]=4 36 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 CSC011995718 [0,1,1,0,0,0|2,0,0]=4 37 B13R1.11 CC(NC(=O)CN)c1ccccc1 CSC000168438 [0,1,1,0,0,0|2,0,0]=4 38 B13R1.11 CCC(=O)NC(C)c1ccccc1 CSC000158022 [0,1,1,0,0,0|1,0,0]=3 39 B13R1.11 CCC(=O)NN(C)c1ccccc1 CSC015470315 [0,1,1,0,0,0|2,0,0]=4 40 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 CSC011908461 [0,1,1,0,0,0|1,0,0]=3 41 B13R1.11 CCC(=O)OC(C)c1ccccc1 CSC000000838 [0,1,1,0,0,0|2,0,0]=4 42 B13R1.11 COC(=O)NC(C)c1ccccc1 CSC000235971 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.14 CCC(=O)NCc1ccc(cc1)C CSC000154269 [0,1,1,0,0,0|1,0,0]=3 44 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl CSC000152853 [0,1,1,0,0,0|1,0,0]=3 45 B13R1.14 CCC(=O)NCc1ccc(cc1)F CSC000152312 [0,1,1,0,0,0|1,0,0]=3 46 B13R1.14 CCC(=O)NNc1ccc(cc1)Br CSC009813267 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl CSC000235214 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.14 CNC(=O)NCc1ccc(cc1)F CSC000235249 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.14 COC(=O)NCc1ccc(cc1)Br CSC011472957 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.14 COC(=O)NCc1ccc(cc1)Cl CSC000235972 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.14 Cc1ccc(cc1)CNC(=O)CN CSC000168522 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.14 NCC(=O)NCc1ccc(cc1)F CSC000168487 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.15 CCC(=O)NCc1cccc(c1)Br CSC011236840 [0,1,1,0,0,0|1,0,0]=3 54 B13R1.15 CCC(=O)NCc1cccc(c1)C CSC011222327 [0,1,1,0,0,0|1,0,0]=3 55 B13R1.15 COC(=O)NCc1cccc(c1)Br CSC011256846 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.15 COC(=O)NCc1cccc(c1)Cl CSC000236059 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.15 Cc1cccc(c1)CNC(=O)CN CSC011368966 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.15 NCC(=O)NCc1cccc(c1)Cl CSC000168498 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.15 NCC(=O)NCc1cccc(c1)F CSC011248369 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.42 CCCC(=O)NCc1ccccc1 CSC000153126 [0,1,1,0,0,0|1,0,0]=3 61 B13R1.42 CCCC(=O)NNc1ccccc1 CSC000001586 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.42 CCCC(=O)OCc1ccccc1 CSC000000759 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.42 CCNC(=O)CCc1ccccc1 CSC000160125 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.42 CCOC(=O)CCc1ccccc1 CSC000170145 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.42 CNCC(=O)NCc1ccccn1 CSC011220384 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.42 CNCC(=O)NCc1cccnc1 CSC011243474 [0,1,1,0,0,0|0,0,0]=2 67 B13R1.42 COCC(=O)NCc1ccccn1 CSC000159088 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.42 COCC(=O)NCc1cccnc1 CSC000159098 [0,1,1,0,0,0|0,0,0]=2 69 B13R1.42 COCC(=O)NCc1ccncc1 CSC000159093 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.42 NCCC(=O)NCc1ccccn1 CSC000707143 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.135 CCC(=O)N(C)Cc1ccccc1 CSC000152899 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.135 CN(Cc1cccnc1)C(=O)CN CSC000704639 [0,1,1,0,0,0|1,0,0]=3 73 B13R1.254 CCC(C)(C)NCc1cccnc1 CSC000712581 [0,1,1,0,0,0|1,0,1]=4 74 B13R1.254 CCS(=O)(=O)NCc1ccccc1 CSC000169541 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.351 CC(C)C(=O)NCc1ccccc1 CSC000153120 [0,1,1,0,0,0|1,0,0]=3 76 B13R1.351 CC(C)C(=O)NCc1ccccn1 CSC000154893 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.351 CC(C)C(=O)NCc1cccnc1 CSC000154917 [0,1,1,0,0,0|0,0,0]=2 78 B13R1.351 CC(C)C(=O)NCc1ccncc1 CSC000154905 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.351 CC(C)C(=O)NNc1ccccc1 CSC000001584 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.351 CC(C)C(=O)OCc1ccccc1 CSC000000732 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.351 CN(C)C(=O)NCc1ccccc1 CSC000217963 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.351 CN(C)C(=O)NCc1cccnc1 CSC000233836 [0,1,1,0,0,0|1,0,0]=3 83 B13R1.351 C[C@H](N)C(=O)NCc1ccccn1 CSC011422251 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.351 C[C@H](N)C(=O)NCc1cccnc1 CSC011422312 [0,1,1,0,0,0|0,0,0]=2 85 B13R1.351 C[C@H](N)C(=O)NCc1ccncc1 CSC011422313 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.351 OC(=O)C(=O)NCc1cccnc1 CSC011297347 [0,1,1,0,0,0|1,0,1]=4 87 B13R1.417 CCC(CO)NCc1cccnc1 CSC000186815 [0,1,1,0,0,0|0,0,2]=4 88 B13R1.528 CCC(=O)NCc1ccccc1Br CSC011236884 [0,1,1,0,0,0|1,0,0]=3 89 B13R1.528 CCC(=O)NCc1ccccc1C CSC000175811 [0,1,1,0,0,0|1,0,0]=3 90 B13R1.528 CCC(=O)NCc1ccccc1Cl CSC000155630 [0,1,1,0,0,0|1,0,0]=3 91 B13R1.528 CNC(=O)NCc1ccccc1Cl CSC000235227 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.528 COC(=O)NCc1ccccc1Cl CSC000236058 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.528 Cc1ccccc1CNC(=O)CN CSC000214010 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.528 NCC(=O)NCc1ccccc1Cl CSC000168405 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.528 NCC(=O)NCc1ccccc1F CSC000214032 [0,1,1,0,0,0|2,0,0]=4 96 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Br CSC000153805 [0,1,1,0,0,0|1,0,0]=3 97 B13R1.132 CC(NC(=O)C)c1ccc(cc1)C CSC011237556 [0,1,1,0,0,0|1,0,0]=3 98 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Cl CSC000153794 [0,1,1,0,0,0|1,0,0]=3 99 B13R1.132 CC(NC(=O)N)c1ccc(cc1)Br CSC000238882 [0,1,1,0,0,0|2,0,0]=4 100 B13R1.352 CC(NS(=O)(=O)C)c1cccnc1 CSC000222640 [0,1,1,0,0,0|1,0,0]=3 101 B13R1.352 C[C@@H](NS(=O)(=O)C)c1ccccc1 CSC011909438 [0,1,1,0,0,0|2,0,0]=4 102 B13R1.149 NC(=O)CSCc1cccc(c1)Cl CSC000162069 [0,1,1,0,0,0|2,0,0]=4 103 B13R1.149 OC(=O)CCNc1cncc(c1)Br CSC013713006 [0,1,1,0,0,0|2,0,0]=4 104 B13R1.158 Cc1ccccc1CSCC(=O)N CSC000148330 [0,1,1,0,0,0|2,0,0]=4 105 B13R1.158 NC(=O)CSCc1ccccc1Br CSC000148301 [0,1,1,0,0,0|2,0,0]=4 106 B13R1.158 NC(=O)CSCc1ccccc1Cl CSC000164481 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.513 Cc1ccc(cc1)SCCC(=O)N CSC000162367 [0,1,1,0,0,0|2,0,0]=4 108 B13R1.513 NC(=O)CSCc1ccc(cc1)F CSC000162057 [0,1,1,0,0,0|2,0,0]=4 109 B13R1.513 NC(=O)NCCc1ccc(cc1)Cl CSC000238947 [0,1,1,0,0,0|2,0,0]=4 110 B13R1.718 CNC(=O)CCSc1ccccc1 CSC000159960 [0,1,1,0,0,0|2,0,0]=4 111 B13R1.718 CNC(=O)CSCc1ccccc1 CSC000149384 [0,1,1,0,0,0|2,0,0]=4 112 B13R1.718 CNC(=O)NCCc1ccccc1 CSC000235216 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.718 COC(=O)CCCc1ccccc1 CSC011295115 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.718 COC(=O)CSCc1cccnc1 CSC000043084 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.718 NNC(=O)CCOc1ccccc1 CSC000189865 [0,1,1,0,0,0|2,0,0]=4 116 B13R2.72 CC(=O)N1CCc2c1ccnc2 CSC015312797 [0,0,1,1,0,0|2,0,0]=4 117 B13R2.72 NC(=O)N1CCc2c1cccc2 CSC000238899 [0,0,1,1,0,0|2,0,0]=4 118 B11R1.25 CCC(=O)NCc1ccco1 CSC000157649 [0,0,1,0,1,0|1,0,0]=3 119 B11R1.25 CNC(=O)NCc1ccco1 CSC000233838 [0,0,1,0,1,0|2,0,0]=4 120 B11R1.25 CNC(=O)NCc1cccs1 CSC000233839 [0,0,1,0,1,0|2,0,0]=4 121 B11R1.25 NCC(=O)NCc1ccsc1 CSC011832688 [0,0,1,0,1,0|2,0,0]=4 122 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,0,1,0,1,0|1,0,0]=3 123 B11R1.40 CCC(=O)Nc1ccccn1 CSC000017115 [0,0,1,0,1,0|2,0,0]=4 124 B11R1.40 CCC(=O)Nc1cccnc1 CSC000159158 [0,0,1,0,1,0|0,0,0]=2 125 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [0,0,1,0,1,0|2,0,0]=4 126 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [0,0,1,0,1,0|2,0,0]=4 127 B11R1.40 CNC(=O)Nc1cccnc1 CSC000233841 [0,0,1,0,1,0|1,0,0]=3 128 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [0,0,1,0,1,0|2,0,0]=4 129 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [0,0,1,0,0,1|2,0,0]=4 130 B13R1.337 NC(=O)NCCOc1ccccc1 CSC000189186 [0,0,1,0,0,1|2,0,0]=4