0 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [0,0,1,0,0,0|2,0,1]=4 1 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [0,0,1,0,0,0|3,0,0]=4 2 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [0,0,1,0,0,0|1,0,0]=2 3 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18177 [0,0,1,0,0,0|3,0,0]=4 4 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [0,0,1,0,0,0|3,0,0]=4 5 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [0,0,1,0,0,0|1,0,0]=2 6 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [0,0,1,0,0,0|1,0,0]=2 7 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [0,0,1,0,0,0|1,0,0]=2 8 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [0,0,1,0,0,0|1,0,1]=3 9 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [0,0,1,0,0,0|1,0,2]=4 10 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [0,0,1,0,0,0|1,0,1]=3 11 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [0,0,1,0,0,0|1,0,2]=4 12 B10R1.17 COCCC1=NC=CC=C1 D91306 [0,0,1,0,0,0|3,0,0]=4 13 B10R1.17 NCC#CC1=CC=CC=C1 AB10165 [0,0,1,0,0,0|0,0,2]=3 14 B10R1.17 NCCNC1=NC=CC=C1 C78639 [0,0,1,0,0,0|2,0,0]=3 15 B10R1.17 NCCNC1=NC=CC=N1 O12010 [0,0,1,0,0,0|3,0,0]=4 16 B10R1.17 NCCNC1=NC=CN=C1 O12008 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.17 NCCOC1=CN=CC=C1 E71907 [0,0,1,0,0,0|2,0,0]=3 18 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [0,0,1,0,0,0|1,0,0]=2 20 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,0,1,0,0,0|1,0,0]=2 21 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [0,0,1,0,0,0|3,0,0]=4 22 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [1,0,1,0,0,0|1,0,0]=3 23 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,0,1,0,0,0|2,0,0]=4 24 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [1,0,1,0,0,0|1,0,0]=3 25 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [1,0,1,0,0,0|1,0,0]=3 26 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,0,1,0,0,0|1,0,0]=3 27 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,0,1,0,0,0|1,0,0]=3 28 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,1,0,0,0|1,0,0]=3 29 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,1,0,0,0|2,0,0]=4 30 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,1,0,0,0|0,0,2]=4 31 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,1,0,0,0|0,0,2]=4 32 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.12 CCC(CC)C1=CC=NC=C1 D92048 [0,1,1,0,0,0|2,0,0]=4 34 B11R1.12 CCN(CC)C1=CC=CC=C1 D78343 [0,1,1,0,0,0|2,0,0]=4 35 B11R1.12 CCN(CC)C1=CC=CC=C1 F14239 [0,1,1,0,0,0|2,0,0]=4 36 B11R1.12 CC[C@H](NC)C1=CC=CC=C1 T72926 [0,1,1,0,0,0|1,0,0]=3 37 B11R1.16 C#CCN(C)C1=CC=CC=C1 E72607 [0,1,1,0,0,0|2,0,0]=4 38 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [0,1,1,0,0,0|2,0,0]=4 39 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12470 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.16 COC[C@H](N)C1=CC=CC=C1 W18573 [0,1,1,0,0,0|2,0,0]=4 41 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [0,1,1,0,0,0|2,0,0]=4 43 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [0,1,1,0,0,0|2,0,0]=4 44 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 N12436 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.22 C[C@H](C#N)C1=CC=C(N)C=C1 C15494 [0,1,1,0,0,0|0,0,2]=4 46 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 79799 [0,1,1,0,0,0|1,0,0]=3 47 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 AR2879 [0,1,1,0,0,0|1,0,0]=3 48 B11R1.22 OC[C@H](Cl)C1=CC=C(Cl)C=C1 58244 [0,1,1,0,0,0|2,0,0]=4 49 B11R1.22 O[C@@H](CCl)C1=CC=C(F)C=C1 D97158 [0,1,1,0,0,0|2,0,0]=4 50 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 N12550 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.23 CC[C@H](O)C1=CC=CC(F)=C1 N11963 [0,1,1,0,0,0|2,0,0]=4 52 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 N12588 [0,1,1,0,0,0|2,0,0]=4 53 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 C78269 [0,1,1,0,0,0|1,0,1]=4 54 B11R1.23 NC[C@H](O)C1=CC=CC(O)=C1 D91696 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [0,1,1,0,0,0|1,0,1]=4 57 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [0,1,1,0,0,0|2,0,0]=4 58 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 N12587 [0,1,1,0,0,0|2,0,0]=4 60 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12344 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.1 CCCOC1=CC=C(N)C=C1 71058 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.1 CNCCC1=CC=C(Cl)C=C1 29906 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.1 CNCCC1=CC=C(F)C=C1 C15824 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.1 NC1=CC=C(CCCO)C=C1 A50572 [0,1,1,0,0,0|1,0,0]=3 67 B11R1.1 NCCCC1=CC=C(Br)C=C1 C78387 [0,1,1,0,0,0|0,0,0]=2 68 B11R1.1 NCCCC1=CC=C(F)C=C1 C77698 [0,1,1,0,0,0|0,0,0]=2 69 B11R1.1 NCCOC1=CC=C(Br)C=C1 C78109 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.1 NCCOC1=CC=C(I)C=C1 C14896 [0,1,1,0,0,0|1,0,0]=3 71 B11R1.17 BrCCOC1=C(Br)C=CC=C1 N11524 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [0,1,1,0,0,0|2,0,0]=4 73 B11R1.17 NCCOC1=C(Br)C=CC=C1 C78110 [0,1,1,0,0,0|1,0,0]=3 74 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [0,1,1,0,0,0|1,0,1]=4 75 B11R1.17 OCCOC1=C(Br)C=CC=C1 N11733 [0,1,1,0,0,0|2,0,0]=4 76 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [0,1,1,0,0,0|1,0,0]=3 77 B11R1.24 CC1=CC=CC(OCCO)=C1 D90477 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.24 NCCCC1=CC=CC(Br)=C1 C77975 [0,1,1,0,0,0|0,0,0]=2 80 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [0,1,1,0,0,0|0,0,0]=2 81 B11R1.24 NCCOC1=NC=CC(Cl)=C1 O10440 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.28 CCCC#CC1=CC=CC=C1 D73344 [0,1,1,0,0,0|1,0,1]=4 83 B11R1.28 CCCCNC1=CC=CC=C1 D88676 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [0,1,1,0,0,0|1,0,0]=3 85 B11R1.28 ClCCOCC1=CC=CC=C1 N12052 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.28 N#CCCCC1=CC=CC=C1 D92056 [0,1,1,0,0,0|0,0,1]=3 87 B11R1.28 NCCCCC1=CC=CC=C1 D88453 [0,1,1,0,0,0|0,0,0]=2 88 B11R1.28 OCCSCC1=CC=CC=C1 D89046 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,1,1,0,0,0|1,0,0]=3 91 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,1,1,0,0,0|0,0,0]=2 93 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,1,1,0,0,0|1,0,0]=3 94 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [0,1,1,0,0,0|0,0,0]=2 96 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [0,1,1,0,0,0|0,0,0]=2 97 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [0,1,1,0,0,0|1,0,0]=3 98 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [0,1,1,0,0,0|1,0,0]=3 99 B11R1.91 N=C(N)COC1=CC=CC=C1 29590 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [0,1,1,0,0,0|1,0,1]=4 101 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,1,1,0,0,0|1,0,1]=4 102 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 A10506 [0,1,1,0,0,0|1,0,1]=4 103 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,1,1,0,0,0|1,0,1]=4 104 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,1,1,0,0,0|1,0,1]=4 108 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 AT26737 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [0,1,1,0,0,0|1,0,0]=3 110 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D88825 [0,1,1,0,0,0|2,0,0]=4 111 B11R2.34 ClC1=CC=C([C@@H]2CO2)C=C1 58242 [1,1,0,0,0,0|1,0,0]=3 112 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 V10033 [1,1,0,0,0,0|1,0,0]=3 113 B11R2.40 C[C@@]1(C2=CC=CC=C2)CO1 F52588 [1,1,0,0,0,0|1,0,0]=3 114 B11R2.55 BrC1=C(C2CC2)C=CC=C1 C11092 [1,1,0,0,0,0|0,0,0]=2 115 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 P18274 [0,2,0,0,0,0|1,0,0]=3 116 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [0,0,1,1,0,0|2,0,0]=4 117 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 67732 [0,0,1,1,0,0|0,0,2]=4 118 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [0,0,1,1,0,0|1,0,0]=3 119 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,0,1,1,0,0|0,0,0]=2 120 B9R1.12 BrCCCN1C=CC=C1 H11736 [0,0,1,0,1,0|2,0,0]=4 121 B9R1.12 CCCCC1=CCC=C1 F14008 [0,0,1,0,1,0|1,0,1]=4 122 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,0,1,0,1,0|1,0,0]=3 123 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [0,0,1,0,1,0|2,0,0]=4 124 B9R2.2 C1=NNC(C2CC2)=C1 30980 [1,0,0,0,1,0|2,0,0]=4