0 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.16 C1=CN=CC=C1[C@H](CCO)O PI-50215 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-47031 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-50235 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.152 C[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)O PI-48759 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.32 CC1CCC2=CC=CC=C2C1=O PI-17355 [0,0,0,1,0,0|1,0,2]=4 33 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [2,0,0,0,0,0|0,0,2]=4 35 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [2,0,0,0,0,0|0,0,0]=2 38 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.15 CCC(O)c1ccccc1 PI-31770 [2,0,0,0,0,0|0,0,0]=2 43 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [2,0,0,0,0,0|0,0,0]=2 46 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [2,0,0,0,0,0|0,0,0]=2 48 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.15 NCC(O)c1ccccc1 PI-17268 [2,0,0,0,0,0|0,0,0]=2 52 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.17 CNCCc1ccncc1 PI-12002 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.17 ClCCCc1ccccc1 PI-33374 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.17 NCCCc1ccccc1 PI-11351 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [2,0,0,0,0,0|0,0,2]=4 69 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.18 CC(Cc1ccccn1)C PI-13337 [2,0,0,0,0,0|1,0,0]=3 71 B12R1.16 CNCC(C1=CC=C(C=C1)O)O PI-41193 [1,1,0,0,0,0|0,0,0]=2 72 B12R1.16 CNCC(O)c1ccc(O)cc1 PI-13894 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 PI-10494 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [1,1,0,0,0,0|0,0,2]=4 76 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [1,1,0,0,0,0|0,0,0]=2 82 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl PI-12317 [1,1,0,0,0,0|0,0,2]=4 83 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [1,1,0,0,0,0|0,0,0]=2 84 B12R1.225 CC(C)C(C1=CC(=CC=C1)F)N PI-34609 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-11648 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-33405 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44342 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44343 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.564 C1=CC=C(C=C1)[C@@H](C(F)(F)F)O PI-49803 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)Br PI-22167 [1,1,0,0,0,0|0,0,2]=4 91 B12R1.564 NC(c1ccccc1)C(C)(C)C PI-22696 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.564 O=C(c1ccccc1)C(C)(C)C PI-29981 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [1,0,0,1,0,0|1,0,0]=3 103 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [1,0,0,1,0,0|0,0,0]=2 115 B14R2.8 B1(OCC(O1)CC)C2=CC=CC=C2 PI-49980 [0,0,0,1,0,1|2,0,0]=4 116 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [1,0,0,0,0,1|1,0,1]=4 117 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [1,0,0,0,0,1|2,0,0]=4