0 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 DY606117 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.34 COC(=O)C(C)c1ccccc1 DY459984 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 DY745759 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 DY746701 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 NO21181 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 NO18861 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 NO13901 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 NO21098 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [1,0,0,0,0,0|0,0,2]=3 9 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.16 CNCC(O)C1=CC=CN=C1 DY585887 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.16 COC[C@H](N)C1=CC=CN=C1 DY716756 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 OCCC(O)C1=CC=NC=C1 DY548901 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 DY662080 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.36 CC(C)C(O)C1=CC=NC=C1 DY531375 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [1,0,0,0,0,0|0,0,0]=1 21 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [1,0,0,0,0,0|0,0,0]=1 23 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 DY789267 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 DY620130 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.36 ClC(Cl)C(Cl)C1=CC=CC=C1 DY530469 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 NO15488 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 NO15279 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 NO10862 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 NO10861 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.40 CNC(=S)NC1=CC=CC=C1 DY793797 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.40 CNC(C)CC1=CC=NC=C1 DY716696 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.40 N#CC(N)CC1=CC=CC=C1 DY581085 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 DY569337 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.40 [C-]#[N+][C@@H](C)CC1=CC=CC=C1 DY744979 [1,0,0,0,0,0|0,0,2]=3 40 B13R1.21 CN[C@H](C)[C@H](O)C1=CC=C(O)C=C1 DY569883 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 DY20544 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 DY744409 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.263 CC(C)(CO)[C@H](N)C1=CC=CC=C1 DY115534 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.696 COC(=O)[C@@H](O)C1=C(Cl)C=CC=C1 DY822253 [0,1,0,0,0,0|2,0,1]=4 45 B13R2.15 CC1CCNC1C2=CC=CC=C2 DY667231 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 DY620298 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.32 O[C@H]1CCC2=CC=CC=C2[C@@H]1O DY765425 [0,0,0,1,0,0|2,0,0]=3 48 B13R2.45 CCC1CC2=CC=CC=C2C1=O DY744733 [0,0,0,1,0,0|1,0,2]=4 49 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 DY629948 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 DY561729 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 DY536835 [0,0,0,1,0,0|2,0,0]=3 52 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 NO21578 [0,0,0,0,0,1|2,0,1]=4 53 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 NO11127 [0,0,0,0,0,1|2,0,1]=4 54 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 NO14552 [0,0,0,0,0,1|2,0,1]=4 55 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [2,0,0,0,0,0|0,0,2]=4 56 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [2,0,0,0,0,0|0,0,2]=4 57 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [2,0,0,0,0,0|0,0,0]=2 60 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.15 CC[C@H](N)C1=CC=NC=C1 DY623825 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [2,0,0,0,0,0|0,0,2]=4 66 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [2,0,0,0,0,0|0,0,0]=2 67 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.17 NNCCc1ccccc1 DY527511 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.18 CC(C)NC1=CC=NC=C1 DY663647 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.18 CC(N)CC1=NC=CC=C1 DY652737 [2,0,0,0,0,0|1,0,0]=3 78 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 DY624223 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 DY822171 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DY459216 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 NO11969 [1,1,0,0,0,0|0,0,0]=2 82 B12R1.16 OC(CCCl)C1=CC=C(Br)C=C1 DY745909 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 DY526923 [1,1,0,0,0,0|0,0,0]=2 84 B12R1.17 CNC[C@H](O)c1cccc(O)c1 DY562101 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.30 NC(CCCO)C1=CC=CC=C1 DY554247 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.107 CC(Br)CC(C)C1=CC=CC=C1 DY747547 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 DY822243 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 DY746665 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 NO16783 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.225 CC(C)[C@@H](N)C1=CC(Cl)=CC=C1 DY511899 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C DY584566 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 DY547275 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 NO11465 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.564 CC(C)(C)C(O)C1=CC=CC=C1 DY822164 [1,1,0,0,0,0|0,0,0]=2 95 B12R1.564 CC(C)(C)P(Cl)C1=CC=CC=C1 DY547119 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 NO15837 [1,1,0,0,0,0|0,0,2]=4 97 B12R1.32 CC(CC1=CC=CC=C1)NC=O DY541845 [1,1,0,0,0,0|0,0,1]=3 98 B12R1.32 CN(CCO)CC1=CC=CC=C1 NO11755 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 DY623915 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.32 NCCC(F)CC1=CC=CC=C1 DY527259 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.118 OCC(CO)CC1=CC=CC=C1 DY545043 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 DY565563 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 DY798105 [1,1,0,0,0,0|1,0,0]=3 104 B14R1.5665 CC(C)(CO)[C@H](O)C1=C(Cl)C=CC=C1 DY116159 [0,2,0,0,0,0|2,0,0]=4 105 B12R2.2 C1=CC=C(C2CCCN2)C=C1 DY666606 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.2 C1=CC=C(C2CCCN2)C=C1 NO11140 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 NO17953 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.2 C1=CN=C(C2CCNC2)C=C1 DY525903 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.2 C1=CN=CC(C2CCNC2)=C1 DY106144 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.27 OC[C@@H]1O[C@H]1c2ccccc2 DY788631 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 DY620016 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.116 NC1(C2=CC=CC=C2)CCC1 DY531621 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.1081 CC1CNCC2=CC=CC=C21 NO17240 [1,0,0,1,0,0|1,0,0]=3 114 B12R2.1081 C[C@@H]1CNCC2=CC=CC=C21 DY550353 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.1081 OC1CCNC2=CC=CC=C21 DY543693 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 DY555243 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.2075 OC(C1=CC=CC=C1)C2CC2 DY757399 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.18 NC1C2=CC=CC=C2CC1O DY455537 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O DY20312 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O NO13576 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.23 OC1CNC1C2=CC=CC=C2 DY719824 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.92 CC1(C)NC1C2=CC=CC=C2 DY743833 [1,0,0,1,0,0|1,0,0]=3 125 B12R2.24 CC1CNC2=CC=CC=C2C1 DY33343 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.24 CN1CCC2=CC=CC=C2C1 NO16157 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.24 NC1CCC2=CC=CC=C2C1 NO18799 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 DY765191 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.32 CNN1CC2=CC=CC=C2C1 DY630906 [1,0,0,1,0,0|1,0,0]=3 130 B12R2.94 CC1(CC2=CC=CC=C2)NN1 DY770583 [1,0,0,1,0,0|1,0,0]=3 131 B14R2.24 OC1CNCCC1C2=CC=CC=C2 DY638848 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 NO15372 [0,1,0,1,0,0|0,0,2]=4 133 B14R2.598 CC1CC(C2=CC=CC=C2)C(C)N1 DY585741 [0,1,0,1,0,0|1,0,0]=3 134 B14R2.598 CC1N=C(N)OC1C2=CC=CC=C2 DY773889 [0,1,0,1,0,0|0,0,2]=4 135 B14R2.14 CO[C@@H]1CNC[C@H]1C2=CC=CC=C2 DY585376 [0,1,0,1,0,0|2,0,0]=4 136 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [1,0,0,0,0,1|1,0,0]=3 137 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 NO11754 [1,0,0,0,0,1|2,0,0]=4