0 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.145 CCN(CC)CC1=CC=C(C=C1)Br PI-47273 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.146 CCN(CC)CC1=CC(=CC=C1)Br PI-47276 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.335 CCN(CC)CC1=CC=CC=C1Br PI-47279 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC PI-33770 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.57 C1C(NCC2=CC=CC=C21)CN PI-35783 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.57 C1C(NCC2=CC=CC=C21)CO PI-28237 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.57 C1C(NCC2=CC=CC=C21)CO PI-28703 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.57 C1C(NCC2=CC=CC=C21)CO PI-35710 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.12 B(C1=CC=CC=N1)(OC)OC PI-25128 [0,0,0,0,1,0|2,0,0]=3 16 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,0,0,0,1,0|3,0,0]=4 17 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 CNCCc1ccncc1 PI-12002 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 ClCCCc1ccccc1 PI-33374 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 NCCCc1ccccc1 PI-11351 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [2,0,0,0,0,0|0,0,2]=4 31 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.18 CC(Cc1ccccn1)C PI-13337 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [1,1,0,0,0,0|0,0,2]=4 37 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.13 COC(OC)c1ccnc(N)c1 PI-31696 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.243 COC(c1ccccc1I)OC PI-39240 [0,1,0,0,1,0|0,0,0]=2 62 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [1,0,0,1,0,0|0,0,2]=4 73 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [1,0,0,1,0,0|1,0,0]=3 74 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,0,0,1,1,0|2,0,0]=4 75 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [0,0,0,1,1,0|0,0,0]=2 76 B14R2.101 C1CC(NC1)CNC2=CC=CC=C2 PI-17001 [0,0,0,1,0,1|2,0,0]=4 77 B14R2.6 C1CCC(CN1)Cc2ccccc2 PI-13268 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,0,0,0,1,0|2,0,0]=4 82 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,0,0,0,1,0|1,0,0]=3 84 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,0,0,0,1,0|2,0,0]=4 85 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,0,0,0,1,0|1,0,0]=3 87 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,0,0,0,1,0|2,0,0]=4 88 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,0,0,0,1,0|1,0,0]=3 89 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,0,0,0,1,0|2,0,0]=4 90 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,0,0,0,1,0|1,0,0]=3 91 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,0,0,0,1,0|1,0,1]=4 92 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,0,0,0,1,0|2,0,0]=4 93 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,0,0,0,1,0|2,0,0]=4 94 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,0,0,0,1,0|2,0,0]=4 95 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [1,0,0,0,0,1|2,0,0]=4 98 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [1,0,0,0,0,1|0,0,2]=4 99 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [1,0,0,0,0,1|2,0,0]=4