0 B9R1.12 O=CCCN1C=CC=N1 H11819 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.8 O=CCC1=CC=CS1 O10539 [1,0,0,0,0,0|0,1,1]=3 2 B8R1.8 O=CCC1=NC=CS1 D88143 [1,0,0,0,0,0|1,1,1]=4 3 B8R1.8 O=CCC1=NN=CO1 W10330 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16704 [0,1,0,0,0,0|1,0,2]=4 5 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16705 [0,1,0,0,0,0|1,0,2]=4 6 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,1,0,0,0,0|1,0,2]=4 7 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [0,1,0,0,0,0|1,1,1]=4 9 B10R1.66 O=C(O)\C=C\C1=CNN=C1 28276 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.66 O=[N+]([O-])\C=C\C1=NC=CS1 W13038 [0,1,0,0,0,0|2,1,0]=4 11 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,0,0,1,0,0|2,0,1]=4 12 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [0,0,0,1,0,0|2,0,0]=3 13 B10R2.7 C1=CC2=CC=NN2N=C1 L10191 [0,0,0,1,0,0|3,0,0]=4 14 B10R2.7 C1=CC2=NNC=C2N=C1 F18246 [0,0,0,1,0,0|3,0,0]=4 15 B10R2.32 O=C1NCC2=CC=CN12 F52206 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,0,0,0,0,1|2,0,1]=4 17 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,0,0,0,0,1|1,0,2]=4 18 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,0,0,0,0,1|2,0,1]=4 19 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,0,0,0,0,1|2,0,1]=4 20 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [0,0,0,0,0,1|1,0,0]=2 21 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [0,0,0,0,0,1|1,0,2]=4 22 B7R0.3 COC(=O)\C=C\C=O D90666 [1,0,1,0,0,0|1,0,1]=4 23 B7R1.1 C=CC1=NC=CS1 C72532 [2,0,0,0,0,0|1,1,0]=4 24 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [1,1,0,0,0,0|0,0,1]=3 25 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [1,1,0,0,0,0|0,0,1]=3 26 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [1,1,0,0,0,0|0,0,1]=3 27 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.13 NC(=O)CC1=CC=CN1 72456 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [0,1,0,0,0,1|1,0,0]=3 31 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [0,1,0,0,0,1|1,0,0]=3 32 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 FD10704 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.77 CC(=O)OC(C)=C1C=CC=C1 W17975 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 D76619 [0,2,0,0,0,0|0,0,2]=4 35 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12538 [0,2,0,0,0,0|0,0,2]=4 36 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12564 [0,2,0,0,0,0|0,0,2]=4 37 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)O1 F12977 [0,2,0,0,0,0|0,0,0]=2 38 B11R1.25 NCC(=O)NCC1=CC=CO1 F21191 [0,2,0,0,0,0|1,0,1]=4 39 B11R1.172 O=C(O)CNCC1=CC=CO1 W15238 [0,2,0,0,0,0|0,0,2]=4 40 B11R1.35 C[C@@H](CC1=CC=CO1)C(=O)O W18641 [0,2,0,0,0,0|0,0,2]=4 41 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,2,0,0,0,0|0,0,2]=4 42 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [0,0,1,1,0,0|2,0,0]=4 43 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [0,0,1,1,0,0|2,0,0]=4 44 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,0,1,1,0,0|2,0,0]=4 45 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [0,0,1,1,0,0|0,0,2]=4 46 B9R1.69 OC1=CC(I)=C(F)C=C1 79298 [0,0,1,1,0,0|2,0,0]=4 47 B9R1.69 OC1=CC(S)=C(O)C=C1 79473 [0,0,1,1,0,0|1,0,1]=4 48 B9R1.14 O=CC1=CSC=C1C=O O12152 [0,0,1,1,0,0|1,0,1]=4 49 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [0,0,1,1,0,0|2,0,0]=4 50 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [0,0,1,1,0,0|1,0,1]=4 51 B9R1.21 COC1=CC=C(C=O)S1 F53534 [0,0,1,1,0,0|1,0,1]=4 52 B11R2.2 C1=CSC(C2=NC=CN2)=C1 67022 [0,1,0,1,0,0|1,1,0]=4 53 B11R2.106 BrC1=NC=CC2=C1C=CS2 D74403 [0,1,0,1,0,0|1,1,0]=4 54 B11R2.106 CC1=C2C=CNC2=CN=C1 P11545 [0,1,0,1,0,0|2,0,0]=4 55 B11R2.106 CC1=CC=CC2=C1N=CO2 F18678 [0,1,0,1,0,0|2,0,0]=4 56 B11R2.106 ClC1=C2C=COC2=NC=C1 P12454 [0,1,0,1,0,0|1,0,0]=3 57 B11R2.106 ClC1=C2OC=NC2=CC=C1 AC3340 [0,1,0,1,0,0|2,0,0]=4 58 B11R2.106 ClC1=NN=CC2=C1C=CO2 91176 [0,1,0,1,0,0|2,0,0]=4 59 B11R2.106 FC1=C2OC=NC2=CC=C1 AC3567 [0,1,0,1,0,0|2,0,0]=4 60 B11R2.106 NC1=CC=CC2=C1C=NO2 D82709 [0,1,0,1,0,0|2,0,0]=4 61 B11R2.106 O=C1NC=CC2=CC=CN12 AC2535 [0,1,0,1,0,0|1,0,0]=3 62 B11R2.106 O=C1NC=CN2N=CC=C12 P14059 [0,1,0,1,0,0|2,0,0]=4 63 B11R2.106 O=C1NN=CC2=C1C=CS2 94722 [0,1,0,1,0,0|1,1,0]=4 64 B11R2.106 OC1=C2OC=CC2=NC=N1 71918 [0,1,0,1,0,0|2,0,0]=4 65 B11R2.106 OC1=NC=CC2=C1C=CN2 F30254 [0,1,0,1,0,0|1,0,1]=4 66 B11R2.106 OC1=NN=CC2=C1C=CO2 91175 [0,1,0,1,0,0|1,0,1]=4 67 B11R2.202 O=C1OC(=O)C2=C1C=CS2 T72683 [0,1,0,1,0,0|1,1,0]=4 68 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [0,1,0,1,0,0|1,0,0]=3 69 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C74663 [0,1,0,1,0,0|2,0,0]=4 70 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,1,0,1,0,0|2,0,0]=4 71 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,1,0,1,0,0|2,0,0]=4 72 B11R2.191 O=CC1=CN=C2SC=CN12 AT12772 [0,1,0,1,0,0|1,1,0]=4 73 B11R2.36 BrC1=NC2=C(C=CO2)C=C1 AC2137 [0,1,0,1,0,0|2,0,0]=4 74 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [0,1,0,1,0,0|1,0,0]=3 75 B11R2.36 ClC1=CN2C=CC=C2C=C1 SC1109 [0,1,0,1,0,0|2,0,0]=4 76 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [0,1,0,1,0,0|2,0,0]=4 77 B11R2.36 FC1=CC2=C(C=C1)N=CO2 AC5634 [0,1,0,1,0,0|2,0,0]=4 78 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [0,1,0,1,0,0|1,1,0]=4 79 B11R2.36 O=C1C=CN2N=CC=C2N1 P11730 [0,1,0,1,0,0|2,0,0]=4 80 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [0,1,0,1,0,0|1,1,0]=4 81 B11R2.36 OC1=CC2=C(C=CS2)N=C1 36039 [0,1,0,1,0,0|1,1,0]=4