0 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC(C)N1CCC(=O)CC1 PI-43300 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,0,0,0,0,0|1,0,3]=4 12 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 CN(C)C1=CN=C(C=N1)Br PI-47342 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,0,0,0,0,0|0,0,2]=2 30 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.1 CC1=CN=C(C=N1)CN PI-48153 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,0,0,0,0,0|0,0,2]=3 42 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|0,1,2]=4 54 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,1,0,0,0,0|0,0,3]=4 55 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.3 CC(C)C1=NC=C(C=C1)C=O PI-44044 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [0,1,0,0,0,0|0,0,2]=3 73 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.21 CC1=NC=C(N=C1C)C(C)C PI-11733 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 PI-44124 [0,1,0,0,0,0|0,0,3]=4 77 B11R1.166 CC1CCC(C(=O)C1)C(C)C PI-41659 [0,1,0,0,0,0|0,0,3]=4 78 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,1,0,0,0,0|1,0,2]=4 79 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,0,0,1,0,0|1,0,2]=4 80 B9R1.35 CC(C)C1=CSC(=N1)N PI-31542 [0,0,0,0,1,0|3,0,0]=4 81 B9R1.35 CC(C)N1C=C(C=N1)N PI-48273 [0,0,0,0,1,0|3,0,0]=4 82 B9R1.35 Cc1csc(n1)C(C)C PI-11128 [0,0,0,0,1,0|2,0,0]=3 83 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,0,0,0,0,1|1,0,2]=4 84 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,0,0,0,0,1|1,0,2]=4 85 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,0,0,0,0,1|1,0,2]=4 86 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,1]=4 87 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [2,0,0,0,0,0|2,0,0]=4 89 B10R0.93 CC(C)C(=O)CC(=O)C(C)C PI-47103 [0,1,1,0,0,0|1,0,1]=4 90 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|0,0,2]=4 91 B10R1.3 CCC1=CN=C(C=N1)CC PI-11051 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [1,1,0,0,0,0|0,0,2]=4 93 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.176 CCC1=CN=C(C(=N1)C)C PI-11050 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.55 Cc1scc(n1)C(C)(C)C PI-30174 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.58 CC1=C(SC(=N1)C(C)C)C PI-23868 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.19 CC(Cc1cnc(c(n1)C)C)C PI-11732 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.6 BrCc1ccc(cc1)C(C)(C)C PI-12017 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN PI-15629 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CO PI-46935 [0,2,0,0,0,0|0,0,2]=4 109 B12R1.6 CC(C)(C1=CCC(=CC1)OC)O PI-45884 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.6 ClCc1ccc(cc1)C(C)(C)C PI-12472 [0,2,0,0,0,0|0,0,2]=4 111 B12R1.113 CC(C)C1=CC=C(C=C1)CC#N PI-19627 [0,2,0,0,0,0|0,0,2]=4 112 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [0,2,0,0,0,0|0,0,2]=4 113 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)C PI-44046 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O PI-19061 [0,2,0,0,0,0|0,0,2]=4 115 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C PI-49847 [0,2,0,0,0,0|0,0,2]=4 116 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.1 CCC1=NC(=CS1)C PI-11124 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.1 CCC1=NC=C(N1)C PI-31806 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.7 CC(C)n1cncc1 PI-31687 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.7 CC(C1=CC=CS1)O PI-12508 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [1,0,0,0,1,0|1,0,1]=4 123 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,0,0,0,0,1|0,0,2]=4 127 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,0,0,0,0,1|1,0,1]=4