0 B10R1.17 C#CCSc1ccccc1 CSC000172648 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 C=CCSc1ccccc1 CSC000006400 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 CCCSc1ccccc1 CSC000005822 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 CCSCc1ccccc1 CSC000006444 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 COCSc1ccccc1 CSC000000817 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 OCCSc1ccccc1 CSC000230494 [0,0,0,0,0,0|1,0,3]=4 6 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.17 Brc1ccccc1OCC=C CSC000173964 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.17 Cc1ccccc1NCC=C CSC011613358 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.17 Cc1ccccc1OCC=C CSC000172067 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.17 Clc1ccccc1OCC=C CSC000172057 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.17 Fc1ccccc1OCC=C CSC000173442 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.91 NC(=O)CSc1ccccn1 CSC000149794 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.91 OC(=O)CSc1ccccn1 CSC000156281 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [0,2,0,0,0,0|1,0,1]=4 37 B12R1.21 CC(=O)CSc1ccc(cc1)C CSC000172844 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.21 CC(=O)CSc1ccc(cc1)F CSC000148136 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.21 CC(=O)NCc1ccc(cc1)C CSC000154265 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.21 CC(=O)NCc1ccc(cc1)Cl CSC000152849 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.21 CC(=O)NCc1ccc(cc1)F CSC000152308 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.21 CC(=O)NNc1ccc(cc1)Br CSC009815283 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.21 CC(=O)NNc1ccc(cc1)C CSC000002330 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.21 Cc1ccc(cc1)CNC(=O)N CSC000238954 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.21 Cc1ccc(cc1)SCC(=O)N CSC000149676 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.21 NC(=O)CCc1ccc(cc1)Cl CSC000022186 [0,2,0,0,0,0|0,0,2]=4 48 B12R1.21 NC(=O)COc1ccc(cc1)Br CSC000150415 [0,2,0,0,0,0|1,0,1]=4 49 B12R1.21 NC(=O)COc1ccc(cc1)Cl CSC000150449 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.21 NC(=O)COc1ccc(cc1)F CSC000150549 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.21 NC(=O)CSc1ccc(cc1)Cl CSC000150469 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.21 NC(=O)NCc1ccc(cc1)F CSC000238953 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.30 C=CCOC(=O)c1ccccc1 CSC000006409 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.125 CC(=O)NCc1ccccc1Br CSC011237613 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.125 CC(=O)NCc1ccccc1C CSC000175807 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.125 CC(=O)NCc1ccccc1Cl CSC000155626 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.125 CC(=O)NNc1ccccc1C CSC015226515 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.125 Cc1ccccc1OCC(=O)N CSC000150533 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.125 NC(=O)CCc1ccccc1Cl CSC000162028 [0,2,0,0,0,0|0,0,2]=4 69 B12R1.125 NC(=O)CCc1ccccc1F CSC000016472 [0,2,0,0,0,0|0,0,2]=4 70 B12R1.125 NC(=O)COc1ccccc1Cl CSC000150432 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.125 NC(=O)COc1ccccc1F CSC000150391 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.125 NC(=O)COc1ccccc1O CSC000162348 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.125 NC(=O)NNc1ccccc1Cl CSC000022921 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.125 OC(=O)COc1ccccc1F CSC000182486 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.226 CC(=O)NCc1cccc(c1)C CSC011222369 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.226 NC(=O)COc1cccc(c1)Cl CSC000150646 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.226 NC(=O)NCc1cccc(c1)Cl CSC000238944 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,2,0,0,0,0|0,0,2]=4 82 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [0,2,0,0,0,0|0,0,2]=4 86 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [0,2,0,0,0,0|0,0,2]=4 90 B12R1.27 NNC(=O)COc1ccccc1 CSC000186219 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.27 NNC(=O)CSc1ccccc1 CSC000189974 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,2,0,0,0,0|0,0,2]=4 95 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,2,0,0,0,0|0,0,2]=4 96 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,2,0,0,0,0|0,0,2]=4 97 B12R1.252 CC(=O)NN=Cc1ccccn1 CSC046102450 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,2,0,0,0,0|0,0,2]=4 99 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,2,0,0,0,0|0,0,2]=4 102 B12R1.252 NC(=O)NN=Cc1ccccc1 CSC000163793 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.252 NC(=O)NN=Cc1ccccn1 CSC000163788 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.43 CN(Cc1ccccc1)C(=O)C CSC000152884 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.43 CN(Cc1ccccc1)C(=O)N CSC000238888 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.43 NC(=O)C(=O)Nc1ccccc1 CSC000015721 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [0,2,0,0,0,0|0,0,2]=4 108 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.2 c1cc(cs1)c2ccccn2 CSC000036383 [0,1,0,1,0,0|1,1,0]=4 110 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [0,1,0,1,0,0|0,1,0]=3 111 B12R2.2 c1nc(n[nH]1)c2ccccc2 CSC000757066 [0,1,0,1,0,0|2,0,0]=4