0 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 COC(=O)CC1=CC=NC=C1 31807 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.17 COCCC1=NC=CC=C1 D91306 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.32 CN(CCCl)CC1=CC=CC=C1 30794 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.32 CNCC(=O)NC1=CC=CC=C1 L10077 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.34 CNC(=O)C(=O)C1=CC=CC=C1 E72128 [0,1,0,0,0,0|1,0,2]=4 15 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 AC6013 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 D88734 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.43 C[C@H](SC1=CC=CC=C1)C(=O)O W18223 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10693 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 23335 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 72287 [0,1,0,0,0,0|1,0,1]=3 23 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 D87899 [0,0,0,1,0,0|2,0,1]=4 24 B12R2.18 CN1C(Br)=NC2=C1C=CC=C2 78633 [0,0,0,1,0,0|2,0,1]=4 25 B12R2.18 NC1C2=C(C=CC=C2)CC1O 32663 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O D86558 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.18 OC1CC2=C(C=CC=C2)C1O D90171 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 AC5785 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [0,0,0,0,1,0|2,0,1]=4 30 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [0,0,0,0,1,0|1,0,0]=2 32 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18177 [0,0,0,0,1,0|1,0,0]=2 33 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [0,0,0,0,1,0|1,0,0]=2 34 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [0,0,0,0,1,0|2,0,0]=3 35 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [0,0,0,0,1,0|2,0,0]=3 36 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [0,0,0,0,1,0|2,0,0]=3 37 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [0,0,0,0,1,0|1,0,2]=4 38 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [0,0,0,0,0,1|2,0,0]=3 40 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [0,0,0,0,0,1|3,0,0]=4 41 B9R1.8 CNCC1=NC=CN=C1 P10399 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.8 CNCC1=NC=NC=C1 AT18327 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 CNCC1=NC=NC=C1 I11999 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 CSCC1=CC=CC=C1 D88728 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 CSCC1=CN=CC=C1 E72352 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [2,0,0,0,0,0|0,0,2]=4 47 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [2,0,0,0,0,0|0,0,2]=4 48 B9R1.8 ClCCC1=NC=CC=C1 D83590 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.1 CCCOC1=CC=C(N)C=C1 71058 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.1 CNCCC1=CC=C(Cl)C=C1 29906 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.1 CNCCC1=CC=C(F)C=C1 C15824 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.1 CN\N=N\C1=CC=C(C)C=C1 A12264 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.1 NC1=CC=C(CCCO)C=C1 A50572 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.1 NCCCC1=CC=C(Br)C=C1 C78387 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.1 NCCCC1=CC=C(F)C=C1 C77698 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.16 CCC[C@H](N)C1=CC=CN=C1 N12309 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.16 CCC[C@H](N)C1=NC=CC=C1 N12437 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12470 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.16 COC[C@H](N)C1=CC=CC=C1 W18573 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.24 COCOC1=CC=CC(Cl)=C1 AC7215 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.24 NCCCC1=CC=CC(Br)=C1 C77975 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.28 CCCC#CC1=CC=CC=C1 D73344 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.28 CCCCNC1=CC=CC=C1 D88676 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.28 ClCCOCC1=CC=CC=C1 N12052 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.28 N#CCCCC1=CC=CC=C1 D92056 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.28 NCCCCC1=CC=CC=C1 D88453 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.28 OCCSCC1=CC=CC=C1 D89046 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 A10506 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 N12503 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.36 CC(C)[C@H](N)C1=CC=NC=C1 F30606 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 F14834 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.86 CC(C)OC1=C(Br)C=NC=C1 N11835 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 E72076 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 AT26737 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D88825 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.12 CCC(CC)C1=CC=NC=C1 D92048 [0,1,0,0,1,0|2,0,0]=4 102 B11R1.12 CCN(CC)C1=CC=CC=C1 D78343 [0,1,0,0,1,0|2,0,0]=4 103 B11R1.12 CCN(CC)C1=CC=CC=C1 F14239 [0,1,0,0,1,0|2,0,0]=4 104 B11R1.12 CC[C@H](NC)C1=CC=CC=C1 T72926 [0,1,0,0,1,0|0,0,0]=2 105 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [0,1,0,0,1,0|2,0,0]=4 106 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [0,1,0,0,1,0|2,0,0]=4 107 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [0,1,0,0,1,0|2,0,0]=4 108 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 N12436 [0,1,0,0,1,0|0,0,0]=2 109 B11R1.22 C[C@H](C#N)C1=CC=C(N)C=C1 C15494 [0,1,0,0,1,0|2,0,0]=4 110 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 N12550 [0,1,0,0,1,0|2,0,0]=4 111 B11R1.23 CC[C@H](O)C1=CC=CC(F)=C1 N11963 [0,1,0,0,1,0|2,0,0]=4 112 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 N12588 [0,1,0,0,1,0|0,0,0]=2 113 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [0,1,0,0,1,0|2,0,0]=4 114 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [0,1,0,0,1,0|2,0,0]=4 115 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 N12587 [0,1,0,0,1,0|0,0,0]=2 116 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12344 [0,1,0,0,1,0|0,0,0]=2 117 B11R1.222 CO[C@@H](C)C1=CC=CN=C1Cl E72494 [0,1,0,0,1,0|2,0,0]=4 118 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 88308 [0,1,0,0,0,1|1,0,1]=4 119 B13R1.417 BrCC(CBr)OCC1=CC=CC=C1 C10580 [0,1,0,0,0,1|2,0,0]=4 120 B13R1.47 CCNC(=O)[C@H](O)C1=CC=CC=C1 E72125 [0,2,0,0,0,0|1,0,1]=4 121 B13R1.348 CC(=O)O[C@@H](C)CC1=CC=CC=C1 T72070 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.133 CN(C)C(=O)CC1=CC=C(Br)C=C1 N10186 [0,2,0,0,0,0|1,0,1]=4 123 B13R1.202 CN(C)C(=O)CC1=C(Br)C=CC=C1 N10069 [0,2,0,0,0,0|1,0,1]=4 124 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O F10987 [0,2,0,0,0,0|0,0,1]=3 125 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O N12075 [0,2,0,0,0,0|0,0,1]=3 126 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10556 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.5 CN[C@@H](C)CC1=CC=C(OC)C=C1 N10879 [0,2,0,0,0,0|0,0,0]=2 128 B11R2.1 NN1CCC2=C1C=CC=C2 AC7277 [1,0,0,1,0,0|1,0,0]=3 129 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [1,0,0,1,0,0|1,0,0]=3 130 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 67732 [1,0,0,1,0,0|2,0,0]=4 131 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [1,0,0,1,0,0|0,0,0]=2 132 B11R2.40 C[C@@]1(C2=CC=CC=C2)CO1 F52588 [0,0,0,1,1,0|1,0,0]=3 133 B13R2.64 C1=CC=C(CC2OCCO2)C=C1 D88802 [0,1,0,1,0,0|1,0,0]=3 134 B13R2.64 C1=CC=C(NC2CCCC2)C=C1 W12607 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 P18274 [0,1,0,1,0,0|2,0,0]=4 136 B13R2.1069 BrC1=CC=C(CC2CNC2)C=C1 E71564 [0,1,0,1,0,0|2,0,0]=4 137 B13R2.155 CC1=CC2=C(C=C1)CC[C@H](C)N2 VT1240 [0,1,0,1,0,0|2,0,0]=4 138 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 23336 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.12 CCCCC1=CCC=C1 F14008 [1,0,0,0,1,0|1,0,1]=4 140 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [1,0,0,0,1,0|1,0,0]=3 141 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,0,0,0,1,0|2,0,0]=4 142 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [1,0,0,0,1,0|1,0,0]=3 143 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [1,0,0,0,1,0|1,0,0]=3 144 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,0,0,0,1,0|1,0,0]=3 145 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,0,0,0,1,0|1,0,0]=3 146 B9R1.13 CC(C)CC1=NNC=C1 AC7490 [1,0,0,0,1,0|2,0,0]=4 147 B9R1.13 CN(C)C=C1C=CC=C1 C76211 [1,0,0,0,1,0|1,0,1]=4 148 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [1,0,0,0,1,0|1,0,0]=3 149 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [1,0,0,0,1,0|2,0,0]=4 150 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 D87040 [0,0,0,0,0,2|1,0,1]=4