0 B13R2.64 C(N1CCCC1)c2ccccc2 CSC000174533 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.64 C(N1CCCC1)c2ccccn2 CSC011191286 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.64 C(N1CCCC1)c2cccnc2 CSC011191287 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.64 C(c1ccccc1)n2ccnn2 CSC000055469 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.19 O[C@H]1CCN(C1)Cc2ccccc2 CSC011474267 [0,1,0,0,0,0|3,0,0]=4 6 B14R2.50 Brc1ccccc1CN2CCCC2 CSC000174588 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.50 Cc1ccccc1CN2CCCC2 CSC000174587 [0,1,0,0,0,0|3,0,0]=4 8 B14R2.50 Clc1ccccc1CN2CCCC2 CSC000174538 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.50 Fc1ccccc1CN2CCCC2 CSC000174529 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.72 Cc1ccc(cc1)CN2CCCC2 CSC000174551 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.72 Clc1ccc(cc1)CN2CCCC2 CSC000174531 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.72 Fc1ccc(cc1)CN2CCCC2 CSC000174541 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.72 Ic1ccc(cc1)CN2CCCC2 CSC011356908 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.716 Cc1cccc(c1)CN2CCCC2 CSC000209217 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.716 Clc1cccc(c1)CN2CCCC2 CSC000174537 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.716 Fc1cccc(c1)CN2CCCC2 CSC000174577 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.716 Ic1cccc(c1)CN2CCCC2 CSC000049980 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.716 Nc1cccc(c1)CN2CCCC2 CSC000738244 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.716 Oc1cccc(c1)CN2CCCC2 CSC011276313 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.32 CCNC(=O)Nc1ccccc1 CSC000163281 [0,0,1,0,0,0|2,0,0]=3 23 B12R1.32 CCNC(=O)Nc1ccncc1 CSC000181110 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.118 CCN(CC)Cc1ccccc1 CSC000184721 [0,0,1,0,0,0|3,0,0]=4 25 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [0,0,0,0,1,0|0,0,2]=3 26 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [0,0,0,0,1,0|1,0,2]=4 27 B12R2.2 c1nc(n[nH]1)c2ccccc2 CSC000757066 [0,0,0,0,1,0|1,0,2]=4 28 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,0,0,0,1,0|2,0,1]=4 29 B14R2.6 C(N1CCSCC1)c2ccccc2 CSC000048198 [0,0,0,0,0,1|3,0,0]=4 30 B14R2.101 C(Nc1ccccc1)c2cc[nH]n2 CSC011332748 [0,0,0,0,0,1|2,0,1]=4 31 B14R2.101 C(Oc1ccccc1)C2OCCO2 CSC000084056 [0,0,0,0,0,1|2,0,1]=4 32 B14R2.101 C(SC1=NCCS1)c2ccccc2 CSC000000673 [0,0,0,0,0,1|1,0,0]=2 33 B14R2.101 C(Sc1ccccn1)c2nnn[nH]2 CSC015403098 [0,0,0,0,0,1|3,0,0]=4 34 B14R2.101 C(Sc1ncc[nH]1)c2ccccc2 CSC009928223 [0,0,0,0,0,1|0,0,2]=3 35 B14R2.101 C(Sc1nnc[nH]1)c2ccccc2 CSC000000440 [0,0,0,0,0,1|1,0,1]=3 36 B14R2.101 C(Sc1nnc[nH]1)c2cccnc2 CSC000044161 [0,0,0,0,0,1|2,0,1]=4 37 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,0,1,0,0,0|1,0,0]=3 42 B11R1.28 OCCNCc1ccccn1 CSC000200435 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.28 OCCNCc1ccncc1 CSC000200482 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [1,0,1,0,0,0|2,0,0]=4 49 B13R1.6 NCCCNCc1cccc(c1)F CSC011367676 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.24 CC(CNCCO)c1ccccc1 CSC000200478 [0,1,1,0,0,0|1,0,1]=4 51 B13R1.24 CCCNCC(C)c1ccccc1 CSC000201663 [0,1,1,0,0,0|1,0,1]=4 52 B13R1.28 CNCCCNCc1ccccc1 CSC000215872 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.42 CN(CCN)CCc1ccccc1 CSC011293287 [0,1,1,0,0,0|0,0,2]=4 54 B13R1.44 NCCNC(=O)Nc1ccccc1 CSC011374578 [0,1,1,0,0,0|1,0,1]=4 55 B13R1.44 OCCNC(=O)Nc1ccccc1 CSC000212871 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.555 Cc1ccccc1CNCCCN CSC011367679 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.555 NCCCNCc1ccccc1Cl CSC011367663 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.718 CCC(C)NCCc1ccccc1 CSC000199858 [0,1,1,0,0,0|1,0,1]=4 59 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br CSC000155194 [0,1,1,0,0,0|1,0,0]=3 60 B13R1.19 CCNC(=O)Cc1ccc(cc1)C CSC000206254 [0,1,1,0,0,0|1,0,0]=3 61 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl CSC000160162 [0,1,1,0,0,0|1,0,0]=3 62 B13R1.19 CCNC(=O)Cc1ccc(cc1)F CSC000160178 [0,1,1,0,0,0|1,0,0]=3 63 B13R1.19 CCNC(=O)Nc1ccc(cc1)Br CSC000163293 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.19 CCNC(=O)Nc1ccc(cc1)F CSC000163323 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.19 CCNC(=O)Nc1ccc(cc1)I CSC000163513 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br CSC000170549 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.19 CCOC(=O)Cc1ccc(cc1)C CSC011212846 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.19 CCOC(=O)Cc1ccc(cc1)Cl CSC000170305 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.19 CCOC(=O)Cc1ccc(cc1)I CSC012353677 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.19 CCOC(=O)Cc1ccc(cc1)O CSC011212766 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.20 CCNC(=O)Cc1cccc(c1)Br CSC011713800 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl CSC011795137 [0,1,1,0,0,0|1,0,0]=3 73 B13R1.20 CCNC(=O)Cc1cccc(c1)F CSC000160229 [0,1,1,0,0,0|1,0,0]=3 74 B13R1.20 CCNC(=O)Cc1cccc(c1)N CSC011690098 [0,1,1,0,0,0|1,0,0]=3 75 B13R1.20 CCNC(=O)Nc1cccc(c1)Br CSC000163297 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.20 CCNC(=O)Nc1cccc(c1)F CSC000163368 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.20 CCNC(=O)Nc1cccc(c1)I CSC000163674 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.20 CCOC(=O)Cc1cccc(c1)Br CSC011586817 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.20 CCOC(=O)Cc1cccc(c1)F CSC000171471 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.20 CCOC(=O)Cc1cccc(c1)O CSC011472689 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.47 CCOC(=O)C(C)c1ccccc1 CSC011214903 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.47 CCOC(=O)C(O)c1ccccc1 CSC000174076 [0,1,1,0,0,0|2,0,0]=4 83 B13R1.47 CCOC(=O)[C@@H](O)c1ccccc1 CSC009816355 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.47 CCOC(=O)[C@H](O)c1ccccc1 CSC009816354 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.348 CC(C)NC(=O)Nc1ccccc1 CSC000163078 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.470 CCNC(=O)Cc1ccccc1Cl CSC000160231 [0,1,1,0,0,0|1,0,0]=3 87 B13R1.470 CCNC(=O)Cc1ccccc1F CSC000160198 [0,1,1,0,0,0|1,0,0]=3 88 B13R1.470 CCNC(=O)Cc1ccccc1N CSC011193781 [0,1,1,0,0,0|1,0,0]=3 89 B13R1.470 CCNC(=O)Cn1ccccc1=O CSC000175644 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.470 CCNC(=O)Nc1ccccc1Br CSC000163289 [0,1,1,0,0,0|2,0,0]=4 91 B13R1.470 CCNC(=O)Nc1ccccc1C CSC000163306 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.470 CCNC(=O)Nc1ccccc1Cl CSC000163340 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.470 CCNC(=O)Nc1ccccc1F CSC000163421 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.470 CCNC(=O)Nc1ccccc1I CSC000163384 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.470 CCOC(=O)Cc1ccccc1Br CSC011218996 [0,1,1,0,0,0|2,0,0]=4 96 B13R1.470 CCOC(=O)Cc1ccccc1C CSC011212630 [0,1,1,0,0,0|2,0,0]=4 97 B13R1.470 CCOC(=O)Cc1ccccc1Cl CSC000171482 [0,1,1,0,0,0|2,0,0]=4 98 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 CSC000222301 [0,1,1,0,0,0|2,0,0]=4 99 B13R2.12 Nc1ccc(cc1)c2ncc[nH]2 CSC000746964 [0,1,0,0,1,0|0,0,2]=4 100 B13R2.12 Oc1ccc(cc1)c2ncc[nH]2 CSC000748570 [0,1,0,0,1,0|0,0,2]=4 101 B13R2.15 Cn1ccnc1c2ccccc2 CSC009860139 [0,1,0,0,1,0|0,0,2]=4 102 B15R2.55 Cn1ccnc1SCc2ccccc2 CSC000000349 [0,1,0,0,0,1|0,0,2]=4 103 B15R2.55 Cn1cnnc1SCc2ccccc2 CSC000000882 [0,1,0,0,0,1|1,0,1]=4 104 B15R2.55 Cn1nnnc1NCc2ccccc2 CSC000216270 [0,1,0,0,0,1|2,0,0]=4 105 B15R2.55 Cn1nnnc1SCc2ccccc2 CSC046079834 [0,1,0,0,0,1|2,0,0]=4 106 B15R2.100 Brc1ccc(cc1)CSc2nnc[nH]2 CSC021578711 [0,1,0,0,0,1|1,0,1]=4 107 B15R2.100 Cc1ccc(cc1)CSc2nnc[nH]2 CSC000000423 [0,1,0,0,0,1|1,0,1]=4 108 B15R2.100 Cc1ccc(cc1)SCc2nnn[nH]2 CSC011228677 [0,1,0,0,0,1|2,0,0]=4 109 B15R2.100 Clc1ccc(cc1)CSC2=NCCS2 CSC047518523 [0,1,0,0,0,1|1,0,0]=3 110 B15R2.100 Clc1ccc(cc1)SCc2nnn[nH]2 CSC011217293 [0,1,0,0,0,1|2,0,0]=4 111 B15R2.100 Clc1ccc(cc1)SCc2nnn[nH]2 CSC011217293 [0,1,0,0,0,1|2,0,0]=4 112 B15R2.100 Fc1ccc(cc1)CSc2nnc[nH]2 CSC000000446 [0,1,0,0,0,1|1,0,1]=4 113 B15R2.100 Fc1ccc(cc1)NCc2ncc[nH]2 CSC000715791 [0,1,0,0,0,1|0,0,2]=4 114 B15R2.100 Fc1ccc(cc1)SCc2nnn[nH]2 CSC011228565 [0,1,0,0,0,1|2,0,0]=4 115 B15R2.283 Cc1n[nH]c(n1)CSc2ccccc2 CSC012530986 [0,1,0,0,0,1|1,0,1]=4 116 B15R2.562 Clc1ccccc1CSc2nnc[nH]2 CSC046238149 [0,1,0,0,0,1|1,0,1]=4 117 B15R2.1117 Brc1cccc(c1)CSC2=NCCS2 CSC048916739 [0,1,0,0,0,1|1,0,0]=3 118 B15R2.1117 Brc1cccc(c1)CSc2nnc[nH]2 CSC021541819 [0,1,0,0,0,1|1,0,1]=4 119 B15R2.1117 Cc1cccc(c1)CSc2nnc[nH]2 CSC000000454 [0,1,0,0,0,1|1,0,1]=4 120 B15R2.1117 Clc1cccc(c1)CSc2nnc[nH]2 CSC041641255 [0,1,0,0,0,1|1,0,1]=4 121 B15R2.1117 Fc1cccc(c1)CSc2nnc[nH]2 CSC000000425 [0,1,0,0,0,1|1,0,1]=4 122 B15R2.1259 CC(Sc1nnc[nH]1)c2ccccc2 CSC000000422 [0,1,0,0,0,1|1,0,1]=4 123 B13R2.1 NCCN1CCc2c1cccc2 CSC000746702 [0,0,1,1,0,0|0,0,2]=4 124 B13R2.1 OCCn1cnc2c1cccc2 CSC011203609 [0,0,1,1,0,0|2,0,0]=4 125 B13R2.26 CCSc1nc2ccccc2o1 CSC015611995 [0,0,1,1,0,0|2,0,0]=4 126 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,0,1,0,1,0|1,0,0]=3 127 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [0,0,1,0,1,0|2,0,0]=4 128 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,0,1,0,1,0|1,0,1]=4 129 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,0,1,0,1,0|1,0,1]=4 130 B15R2.2196 C(NCc1ccccc1)C2CCCN2 CSC011420329 [0,0,0,0,0,2|1,0,1]=4 131 B15R2.2196 C(SCc1ccccc1)c2nnn[nH]2 CSC033174010 [0,0,0,0,0,2|2,0,0]=4