0 B11R1.40 CC(C#N)NC1=CC=CC=C1 BB32-1220 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.18 CC(C)NC1=CC=CN=N1 BB32-0176 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 BB32-3884 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 BB31-6128 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 BB31-6129 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 BB32-1322 [0,0,0,1,0,0|2,0,1]=4 21 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 BB31-2974 [0,0,0,1,0,0|2,0,1]=4 22 B12R2.24 CC1CNC2=C(C=CC=C2)C1 BB31-4086 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.24 CC1CNC2=C(C=CC=C2)N1 BB32-3882 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.24 CC1CNC2=C(C=CC=C2)S1 BB32-3335 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.24 CC1COC2=C(C=CC=C2)N1 BB32-1397 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.24 CN1CCC2=C(C=CC=C2)C1 BB32-2641 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.24 NC1CNC2=C(C=CC=C2)C1 BB32-1614 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.24 NC1COC2=C(C=CC=C2)C1 BB31-4949 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.24 OC1CNC2=C(C=CC=C2)C1 BB32-1531 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 BB32-0346 [0,0,0,1,0,0|1,0,1]=3 31 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 BB32-0509 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.32 OCC1CC2=C(C=CC=C2)C1 BB32-2348 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 BB31-4454 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [0,0,0,0,1,0|1,0,2]=4 36 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [0,0,0,0,1,0|2,0,0]=3 39 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [0,0,0,0,1,0|2,0,0]=3 40 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,0,0,0,0,1|2,0,1]=4 41 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.8 CCNC1=NC=CC=C1 BB31-5587 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.8 NNCC1=NC=CC=C1 BB32-1215 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.1 ClCCCC1=CC=C(Br)C=C1 BB31-4830 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.1 OCCCC1=CC=C(F)C=C1 BB31-7183 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.16 N#CCC(O)C1=CC=CC=C1 BB31-7914 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.17 CC1=C(CCCO)C=CC=C1 BB32-0475 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.17 CCCOC1=C(N)C=CC=C1 BB31-5710 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.17 CCNCC1=C(O)C=CC=C1 BB31-9257 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.17 COCCC1=C(O)C=CC=C1 BB32-1663 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.17 COCOC1=C(N)C=CC=C1 BB31-6383 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.17 NCCCC1=C(Br)C=CC=C1 BB31-5716 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BB32-3226 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.17 OCCCC1=C(F)C=CC=C1 BB31-8703 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.24 COCCC1=CC(O)=CC=C1 BB32-1678 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.24 N#CCCC1=CC=CC(F)=C1 BB32-0937 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.24 NCCCC1=CC=CC(Br)=C1 BB31-3431 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.24 O=CCCC1=CC=CC(Br)=C1 BB31-4155 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.24 OCCCC1=CC=CC(Br)=C1 BB32-3048 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.24 OCCCC1=CC=CC(Cl)=C1 BB31-4195 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.24 OCCCC1=CC=CC(F)=C1 BB31-2996 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.28 C#CCNCC1=CC=CC=C1 BB31-1370 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.28 CNCCSC1=NC=CC=C1 BB52-9534 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.28 OCCCCC1=CN=CC=C1 BB31-5838 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.28 OCCCCC1=NC=CC=C1 BB31-3724 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 BB31-9408 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.20 CC(C)OC1=NC=C(N)C=C1 BB32-2377 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 BB31-6923 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.36 C=C(C1=CC=CC=C1)C(C)C BB31-3442 [1,1,0,0,0,0|0,0,1]=3 83 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 BB31-5054 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 BB31-7042 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.86 CC(C)CC1=C(N)C=CC=C1 BB31-7006 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.86 CC(C)NC1=NC=CC=C1N BB31-8117 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.86 CC(C)OC1=C(Cl)C=CC=N1 BB32-1109 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.86 CC(C)OC1=C(I)C=CC=N1 BB31-5799 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 BB32-1278 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.157 CC(C)NC1=CC=CC(F)=C1 BB31-8175 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.157 CC1=CC=CC(NC(C)C)=C1 BB31-0290 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.509 CS(=N)(=O)CC1=CC=CC=C1 BB31-7855 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.12 CCC(C=O)C1=CC=CC=C1 BB31-7584 [0,1,0,0,1,0|1,0,1]=4 96 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB12-5200 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 BB31-0492 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 BB31-0570 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 BB32-3823 [0,1,0,0,1,0|1,0,1]=4 100 B11R1.23 CNC(=O)C1=CC(O)=CC=C1 BB31-3025 [0,1,0,0,1,0|1,0,1]=4 101 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB31-9102 [0,1,0,0,0,1|1,0,1]=4 102 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,1,0,0,0,1|1,0,1]=4 103 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 BB31-5662 [0,1,0,0,0,1|2,0,0]=4 104 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,1,0,0,0,1|2,0,0]=4 105 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O BB31-3737 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.418 O=C(O)[C@@H](CO)CC1=CC=CC=C1 BB31-0992 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 BB32-2453 [0,2,0,0,0,0|2,0,0]=4 109 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [1,0,0,1,0,0|2,0,0]=4 111 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.20 C1=CC2=C(C=C1)CNNC2 BB31-5478 [1,0,0,1,0,0|1,0,0]=3 114 B11R2.20 C1=CC2=C(C=N1)CCNC2 BB31-4989 [1,0,0,1,0,0|1,0,0]=3 115 B11R2.20 C1=CC2=C(C=N1)CCNC2 BB31-5092 [1,0,0,1,0,0|1,0,0]=3 116 B11R2.20 C1=CC2=C(C=N1)CNCC2 BB31-8350 [1,0,0,1,0,0|1,0,0]=3 117 B11R2.20 C1=CN=C2CCNCC2=C1 BB31-5976 [1,0,0,1,0,0|1,0,0]=3 118 B11R2.20 C1=CN=C2CCNCC2=C1 BB32-1880 [1,0,0,1,0,0|1,0,0]=3 119 B11R2.20 C1=CN=C2CNCCC2=C1 BB31-4985 [1,0,0,1,0,0|1,0,0]=3 120 B11R2.20 C1=NC=C2CCNCC2=N1 BB31-4033 [1,0,0,1,0,0|2,0,0]=4 121 B11R2.20 C1=NC=C2CNCCC2=N1 BB31-4165 [1,0,0,1,0,0|2,0,0]=4 122 B11R2.239 C1=CC(C2CNC2)=CC=N1 BB31-0986 [1,0,0,1,0,0|1,0,0]=3 123 B11R2.239 C1=CC=C(C2CCN2)C=C1 BB31-8120 [1,0,0,1,0,0|2,0,0]=4 124 B11R2.239 C1=CN=CC(C2CNC2)=C1 BB31-0985 [1,0,0,1,0,0|1,0,0]=3 125 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [1,0,0,1,0,0|2,0,0]=4 126 B11R2.10 BrC1CC2=C(C=CC=C2)C1 BB31-3617 [1,0,0,1,0,0|1,0,0]=3 127 B11R2.10 CC1CC2=C(C=CC=C2)C1 BB31-4827 [1,0,0,1,0,0|0,0,0]=2 128 B11R2.10 S=C1CC2=C(C=CC=C2)N1 BB32-2281 [1,0,0,1,0,0|1,0,1]=4 129 B13R2.57 CCC1CNC2=CC=CC=C2O1 BB51-1688 [0,0,0,1,0,1|2,0,0]=4 130 B13R2.57 CCC1CNC2=CC=CC=C2S1 BB51-1750 [0,0,0,1,0,1|2,0,0]=4 131 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 BB51-2840 [0,0,0,1,0,1|2,0,0]=4 132 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 BB31-8132 [0,1,0,1,0,0|2,0,0]=4 133 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O BB31-5677 [0,1,0,1,0,0|1,0,1]=4 134 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 BB32-2683 [0,1,0,1,0,0|0,0,2]=4 135 B13R2.45 CN1C2=CC=CC=C2N=C1CO BB52-0030 [0,1,0,1,0,0|1,0,1]=4 136 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 BB31-3288 [0,1,0,1,0,0|1,0,1]=4 137 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 BB31-9339 [0,1,0,1,0,0|1,0,0]=3 138 B13R2.8138 NC(C1=CC=CC=C1)C2(O)CC2 BB32-0229 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.3028 CC1=NC2=C(C=C(Cl)C=C2)N1C BB32-0821 [0,1,0,1,0,0|1,0,1]=4 140 B13R2.3028 CC1CC2=C(C=C(Br)C=C2)C1=O BB31-3469 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.3683 CC1CCC2=C(C=CC(Br)=C2)N1 BB32-2086 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.3683 CN1CCC2=C(C=CC(Br)=C2)C1 BB32-3388 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 BB31-2656 [0,1,0,1,0,0|2,0,0]=4 144 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 BB31-2655 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 BB31-2654 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C BB31-8107 [0,1,0,1,0,0|0,0,2]=4 147 B9R1.12 CNCCN1C=CC=N1 BB52-9466 [1,0,0,0,1,0|2,0,0]=4 148 B9R1.12 CNCCN1C=CN=C1 BB52-9610 [1,0,0,0,1,0|2,0,0]=4 149 B9R1.6 CC(N)C1=NC=CC=N1 BB31-3285 [1,0,0,0,1,0|2,0,0]=4 150 B9R1.6 C[C@@H](N)C1=CC=NC=C1 BB31-0181 [1,0,0,0,1,0|1,0,0]=3 151 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [1,0,0,0,1,0|1,0,0]=3 152 B9R1.13 CC(N)CC1=NC=CS1 BB57-1486 [1,0,0,0,1,0|2,0,0]=4 153 B9R1.13 CN(C)C=C1C=CC=C1 BB31-7355 [1,0,0,0,1,0|1,0,1]=4