0 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 BB32-1297 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB12-5200 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 BB31-0492 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 BB31-0570 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.22 COS(=O)C1=CC=C(C)C=C1 BB32-3711 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 BB31-4005 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 BB32-2415 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 BB32-3014 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.1 CC1=CC=C(SCCl)C=C1 BB31-6111 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 CC1=CN=C(CC#N)C=C1 BB32-2135 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 CC(C)C1=NC=C(Br)C=C1 BB31-0706 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(O)C1=CN=C(Cl)C=C1 BB32-1451 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.13 CC1=NC=C(C(C)N)C=C1 BB31-7487 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 BB31-0817 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,0,0,0,0,0|0,0,2]=3 27 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 BB31-5109 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-2402 [0,1,0,0,0,0|1,0,2]=4 29 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-9770 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 BB32-0151 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 BB32-0141 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 BB32-3698 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 BB31-9844 [0,0,0,1,0,0|2,0,1]=4 37 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 BB31-3897 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 BB32-2565 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 BB32-1861 [0,0,0,1,0,0|1,0,2]=4 40 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 BB31-8353 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.612 CN1C=NC2=CC(N)=CC=C21 BB52-6130 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 BB32-2056 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.1 C=CC1=CC=C(I)C=C1 BB31-4240 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.1 C=CC1=NC=C(C)C=C1 BB32-1317 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.1 CC1=NC=C(C=O)C=N1 BB52-2214 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 CCC1=CN=C(N)C=C1 BB31-3880 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 CNC1=CN=C(C)C=C1 BB31-9222 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.6 C[C@@H](N)C1=CC=NC=C1 BB31-0181 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.1 C=CCOC1=CC=C(C)C=C1 BB31-4230 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 BB32-1043 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 BB31-9657 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 BB31-0029 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.83 COC1=CC=C(CC=O)C=C1 BB32-2943 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.83 COC1=CC=C(CNO)C=C1 BB32-2374 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.83 N#CCC1=CC=C(CO)C=C1 BB31-2817 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [1,1,0,0,0,0|0,0,1]=3 63 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [1,1,0,0,0,0|0,0,1]=3 64 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 BB31-7405 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 BB31-4161 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 BB31-7862 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 BB31-0182 [1,1,0,0,0,0|0,0,2]=4 69 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 BB31-3651 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.19 CS(=N)(=O)C1=CC=C(Cl)C=C1 BB32-1424 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 BB32-3211 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 BB32-3594 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 BB31-8254 [1,1,0,0,0,0|0,0,1]=3 74 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 BB31-5171 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.21 CC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0729 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 BB31-3415 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 BB31-1281 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 BB32-0130 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 BB32-1815 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.166 CC(N)C1=C(Br)C=C(F)C=C1 BB31-9383 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.166 CC(N)C1=C(F)C=C(Br)C=C1 BB31-9384 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 BB32-0675 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 BB31-6706 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 BB31-5408 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 BB31-6819 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 BB31-3159 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 BB32-0603 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 BB31-1701 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 BB31-6720 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.12 CCC(C=O)C1=CC=CC=C1 BB31-7584 [1,1,0,0,0,0|0,0,0]=2 91 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.222 CC1=C(C(=O)C=O)C=CC=C1 BB32-3322 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.222 CC1=C(N(C)C=O)C=CC=C1 BB31-1907 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.314 CC1=CN(C(C)C(=O)O)N=C1 BB52-8384 [0,1,0,0,1,0|2,0,0]=4 97 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 BB32-2453 [0,1,0,0,0,1|1,0,1]=4 98 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [0,1,0,0,0,1|1,0,0]=3 99 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 BB31-4228 [0,1,0,0,0,1|2,0,0]=4 100 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [0,1,0,0,0,1|2,0,0]=4 101 B13R1.522 CC(C)(C(=O)O)C1=CC=C(F)C=C1 BB31-7250 [0,2,0,0,0,0|1,0,0]=3 102 B13R1.522 CC(C)(C(=O)O)C1=CC=C(O)C=C1 BB32-1040 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.522 CC1=CC=C(C(C)(C)C(=O)O)C=C1 BB31-3800 [0,2,0,0,0,0|0,0,0]=2 104 B13R1.522 O=C(O)C(F)(F)C1=CC=C(F)C=C1 BB31-5602 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.706 CC(=O)C(C#N)C1=CC=C(Br)C=C1 BB20-1173 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.706 CCC(C(=O)O)C1=CC=C(C)C=C1 BB32-3857 [0,2,0,0,0,0|0,0,0]=2 107 B13R1.706 CCC(C(=O)O)C1=CC=C(N)C=C1 BB31-4570 [0,2,0,0,0,0|1,0,0]=3 108 B13R1.163 NC(C(=O)O)C1=C(F)C=C(F)C=C1 BB32-0164 [0,2,0,0,0,0|2,0,0]=4 109 B11R2.36 BrC1=CC2=C(C=C1)CC=C2 BB31-6902 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.36 CC1=CC2=C(C=C1)CCN2 BB31-6620 [1,0,0,1,0,0|1,0,1]=4 111 B11R2.36 CC1=CC2=C(C=C1)N=CS2 BB31-4548 [1,0,0,1,0,0|1,1,0]=4 112 B11R2.36 CC1=CC2=C(C=C1)SC=N2 BB31-4547 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [1,0,0,1,0,0|1,0,1]=4 114 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [1,0,0,1,0,0|1,0,1]=4 115 B11R2.239 C1=CC=C(C2CCN2)C=C1 BB31-8120 [1,0,0,1,0,0|2,0,0]=4 116 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [1,0,0,1,0,0|0,0,2]=4 117 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 BB31-2585 [0,0,0,1,0,1|0,0,2]=4 118 B13R2.3028 CC1CC2=C(C=C(Br)C=C2)C1=O BB31-3469 [0,0,0,1,0,1|1,0,0]=3 119 B13R2.3683 CC1=CC=C2OC(C)CNC2=C1 BB51-1684 [0,0,0,1,0,1|1,0,1]=4 120 B13R2.2130 CN1C=CC2=CC(CO)=CC=C21 BB52-6011 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 BB31-4694 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 BB32-2874 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [1,0,0,0,1,0|1,0,1]=4 124 B11R1.40 CC(C#N)NC1=CC=CC=C1 BB32-1220 [1,0,0,0,0,1|1,0,1]=4