0 B10R1.66 CN(C)CCC1=NC=CN1 AC8612 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,0,0|2,1,0]=4 2 B9R1.12 ICCCC1=CC=CS1 AC6959 [1,0,0,0,0,0|2,1,0]=4 3 B11R1.25 NCC(=O)NCC1=CC=CO1 F21191 [0,1,0,0,0,0|2,0,1]=4 4 B11R2.36 C[C@H]1CC2=C(C=CN2)CN1 96833 [0,0,0,1,0,0|3,0,0]=4 5 B11R2.36 C[C@H]1CC2=C(C=CN2)CN1 96834 [0,0,0,1,0,0|3,0,0]=4 6 B11R2.36 C[C@H]1CCC2=CC=NN2C1 56905 [0,0,0,1,0,0|3,0,0]=4 7 B11R2.36 C[C@H]1CCN2N=CC=C2C1 56894 [0,0,0,1,0,0|3,0,0]=4 8 B11R2.36 C[C@H]1CN2C=CN=C2CN1 C90717 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.36 C[C@H]1CN2C=CN=C2CN1 C90719 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.36 C[C@H]1CN2C=NC=C2CO1 57268 [0,0,0,1,0,0|2,1,0]=4 11 B11R2.392 CC1(C)NCC2=C1SC=C2 92427 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,1,0|1,0,0]=2 18 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,0,0,0,0,1|2,0,0]=3 23 B8R1.8 BrCCC1=CC=CS1 F20027 [2,0,0,0,0,0|1,1,0]=4 24 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [1,1,0,0,0,0|1,1,0]=4 29 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.21 OCCNCC1=CC=CO1 F16080 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,1,0|0,0,0]=2 34 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16723 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16724 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14681 [0,1,0,0,1,0|1,1,0]=4 37 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14682 [0,1,0,0,1,0|1,1,0]=4 38 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,1,0|1,0,0]=3 39 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,1,0|1,0,0]=3 40 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,1,0|1,0,0]=3 41 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,1,0|1,0,0]=3 42 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,1,0|1,0,0]=3 43 B10R1.54 CC(C)CN1C=C(O)C=N1 AT11884 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.281 CC(C)(O)CC1=CSC=C1 F13451 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.281 C[N+](C)(C)CC1=CC=CN1 AC9514 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 C78335 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 C78202 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 C77883 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,1|1,1,0]=4 51 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,1,0,0,0,1|1,1,0]=4 58 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 C77759 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 C78565 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 C78564 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [0,1,0,0,0,1|1,1,0]=4 62 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 C78583 [0,1,0,0,0,1|2,0,0]=4 63 B10R2.7 C1=CC2=C(CNCC2)S1 P10653 [1,0,0,1,0,0|1,1,0]=4 64 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,0,0,1,0,1|2,0,0]=4 67 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,2,0|1,0,0]=3 68 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,2,0|1,0,0]=3 69 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,2,0|1,0,0]=3 70 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,0,0,0,2,0|1,1,0]=4 71 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,0,0,0,2,0|1,1,0]=4 72 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,0,0,0,2,0|1,1,0]=4 73 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,0,0,0,0,1|2,0,0]=4