0 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 CC(C)C1=NC=C(C=O)C=N1 BB52-2268 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 BB31-2890 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 BB31-7405 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 BB31-4161 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 BB31-7862 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 BB31-0182 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.3 NCC1=CC=C(B(O)O)C=C1 BB32-2236 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 BB31-5217 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 O=[N+]([O-])C1=CN=C(CO)C=C1 BB32-1687 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.3 C#CC1=CC=C(CN)C=C1 BB31-3872 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.3 COC1=NC=C(CO)C=N1 BB31-0672 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.3 COC1=NN=C(CO)C=C1 BB31-8490 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.3 N#CC1=CN=C(CO)C=C1 BB31-4922 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.3 N#CC1=NC=C(CO)C=C1 BB32-3114 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.3 O=CC1=NC=C(CO)C=C1 BB32-2057 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.3 OCC1=CN=C(CO)C=C1 BB32-1481 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CC(C)C1=CC=C(N)N=N1 BB32-3140 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 CC(C)C1=NC=C(Br)C=C1 BB31-0706 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9165 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.13 CC(C)C1=NN=C(Br)C=C1 BB31-9854 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 CC(O)C1=CN=C(Cl)C=C1 BB32-1451 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.13 CC1=NC=C(C(C)N)C=C1 BB31-7487 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.13 CN(C)C1=CN=C(N)C=C1 BB31-7808 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.13 CN(C)C1=NC=C(I)C=C1 BB32-1805 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.13 CN(C)C1=NC=C(N)C=C1 BB32-2424 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 BB31-5109 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 BB32-2012 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-2402 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-9770 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 BB31-4613 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.48 COC1=C(F)C=C(C(C)O)C=C1 BB32-3099 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.48 COC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0030 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 BB32-0730 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.48 O=[N+]([O-])C1=CC(O)=C(CO)C=C1 BB32-3021 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.48 OCC1=C(Cl)C=C(B(O)O)C=C1 BB31-0774 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 BB32-2215 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.113 OCCC1=CC=C(B(O)O)C=C1 BB31-2095 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 BB31-3478 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=N1 BB52-2339 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.256 CN(C)C1=NC=C(B(O)O)C=C1 BB32-1194 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.256 CS(=O)C1=CC=C(B(O)O)C=C1 BB31-3318 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 BB31-5070 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 BB31-5415 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.452 CC1=C(B(O)O)C=CC(CO)=C1 BB31-3317 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 BB31-8346 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.452 CN(C)C1=C(N)C=C(C#N)C=C1 BB12-6095 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 BB31-0593 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.452 NC1=C([N+](=O)[O-])C=CC(CO)=C1 BB32-2018 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.9 NCC1=CC=C(C2CC2)C=C1 BB31-8846 [0,0,0,1,0,0|1,0,0]=2 58 B10R1.31 CC(C)C1=COC(C=O)=C1 BB32-0360 [0,0,0,0,1,0|1,0,2]=4 59 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-0934 [0,0,0,0,0,1|2,0,1]=4 60 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-1158 [0,0,0,0,0,1|2,0,1]=4 61 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB31-9902 [0,0,0,0,0,1|1,0,0]=2 62 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 BB31-8459 [0,0,0,0,0,1|2,0,0]=3 63 B9R1.1 C#CC1=CC=C(O)C=C1 BB32-1037 [2,0,0,0,0,0|0,0,2]=4 64 B9R1.1 CCC1=CN=C(N)C=C1 BB31-3880 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 CCC1=NN=C(O)C=C1 BB32-2906 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 CNC1=CN=C(C)C=C1 BB31-9222 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 NC1=CN=C(CO)C=C1 BB31-5981 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.1 O=C1C=CC(CO)=CN1 BB31-8238 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.1 OCC1=NC=C(O)C=C1 BB31-5168 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 C[C@@H](N)C1=CC=NC=C1 BB31-0181 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.83 COC1=CC=C(CC=O)C=C1 BB32-2943 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.83 COC1=CC=C(CNO)C=C1 BB32-2374 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.83 N#CCC1=CC=C(CO)C=C1 BB31-2817 [1,1,0,0,0,0|0,0,1]=3 75 B11R1.279 CCC1=CC(O)=C(C=O)C=C1 BB31-3289 [1,1,0,0,0,0|0,0,2]=4 76 B11R1.279 COC1=C(C)C=C(CN)C=C1 BB31-8268 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.279 COC1=C(N)C=C(CO)C=C1 BB31-0379 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.279 COC1=CC(Br)=C(CO)C=C1 BB31-3199 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.279 COC1=CC=C(CO)N=C1Cl BB31-9830 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.279 N#CC1=C(F)C=C(CO)C=C1 BB31-8134 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 BB32-1645 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 BB31-3651 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 BB31-8254 [1,1,0,0,0,0|1,0,1]=4 84 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 85 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 86 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 BB31-3415 [1,1,0,0,0,0|0,0,0]=2 87 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 88 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 89 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 BB32-1297 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB12-5200 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 BB31-0492 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 BB31-0570 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.22 COS(=O)C1=CC=C(C)C=C1 BB32-3711 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 BB31-4005 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 BB32-3014 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.166 CC(N)C1=C(Br)C=C(F)C=C1 BB31-9383 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 CC(N)C1=C(F)C=C(Br)C=C1 BB31-9384 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.166 CN(C)C1=C(Br)C=C(I)C=C1 BB12-5134 [1,1,0,0,0,0|2,0,0]=4 99 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]=4 100 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]=4 101 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]=4 102 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]=4 103 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]=4 104 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]=4 105 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]=4 106 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]=4 107 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 BB32-2453 [0,1,0,0,0,1|1,0,0]=3 108 B13R1.36 CCC1=CC=C(C(=O)C(C)C)C=C1 BB32-3871 [0,1,0,0,0,1|1,0,0]=3 109 B13R1.36 CN(C)C(=O)C1=CC=C(CO)C=C1 BB32-3170 [0,1,0,0,0,1|1,0,0]=3 110 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 BB31-3591 [0,1,0,0,0,1|2,0,0]=4 111 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 BB31-3681 [0,1,0,0,0,1|1,0,1]=4 112 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 BB31-9152 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.38 OCC1=C(O)C=C(C(F)(F)F)C=C1 BB32-1912 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.96 CCC1=CC(O)=C(C(C)(C)C)C=C1 BB31-7645 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=C1 BB31-0103 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.338 CC(C)(O)C1=CC=C(C(=O)O)C=C1 BB31-5830 [0,2,0,0,0,0|0,0,1]=3 117 B13R1.338 C[C@@H](N)C1=CC=C(C(F)(F)F)C=C1 BB31-5409 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.120 CC(C)C1=C(I)C=C(C(=O)O)C=C1 BB31-7126 [0,2,0,0,0,0|0,0,1]=3 119 B13R1.74 CCNCC1=CC=C(N(C)C)C=C1 BB31-6268 [0,2,0,0,0,0|2,0,0]=4 120 B11R2.190 O=CC1=CC2=C(C=C1)CC2 BB31-8398 [1,0,0,1,0,0|0,0,2]=4 121 B11R2.34 NC1=CN=C(C2CC2)C=C1 BB31-0704 [1,0,0,1,0,0|2,0,0]=4 122 B11R2.34 O=C1C=CC(C2CC2)=CN1 BB31-0705 [1,0,0,1,0,0|1,0,1]=4 123 B13R2.2121 CC1=NC2=C(C=C(CO)C=C2)O1 BB31-2027 [0,0,0,1,0,1|1,0,1]=4 124 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)O1 BB31-2025 [0,0,0,1,0,1|1,0,1]=4 125 B13R2.2121 CN1C=C2C=CC(CO)=CC2=N1 BB31-0694 [0,0,0,1,0,1|2,0,0]=4 126 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 BB31-9153 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 BB31-2049 [0,1,0,1,0,0|1,0,1]=4 128 B13R2.2130 CN1C=CC2=CC(CO)=CC=C21 BB52-6011 [0,1,0,1,0,0|1,0,1]=4 129 B13R2.430 CC(O)C1=CC2=C(C=C1)OCO2 BB32-3577 [0,1,0,1,0,0|1,0,0]=3 130 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCC2 BB32-0145 [0,1,0,1,0,0|2,0,0]=4 131 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 BB32-3751 [0,1,0,1,0,0|0,0,2]=4 132 B9R1.35 CC(C)N1C=CC(O)=N1 BB31-4167 [1,0,0,0,1,0|2,0,0]=4 133 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [1,0,0,0,0,1|1,0,0]=3 134 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 BB31-9408 [1,0,0,0,0,1|2,0,0]=4 135 B11R1.20 CC(C)OC1=NC=C(N)C=C1 BB32-2377 [1,0,0,0,0,1|2,0,0]=4 136 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 BB31-6923 [1,0,0,0,0,1|1,0,0]=3