0 B12R1.128 C1=CC(=C(C=C1O)C(F)(F)F)Br PI-12300 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.128 C1=CC(=C(C=C1O)C(F)(F)F)Cl PI-20129 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.128 C1=CC(=C(C=C1O)C(F)(F)F)F PI-31246 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.128 C1=CC(=C(C=C1O)C(F)(F)F)O PI-35856 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.128 Oc1ccc(c(c1)C(C)(C)C)O PI-31762 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)O PI-16970 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.87 CC(C)(C1=CC=CC=C1Br)O PI-48990 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.87 C[Si](C)(C)C1=CC=CC=C1O PI-50096 [1,0,0,0,0,0|0,1,0]=2 9 B11R1.155 Brc1cccc(c1)C(C)(C)C PI-20591 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.155 C1=CC(=CC(=C1)O)C(F)(F)F PI-15309 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.155 CC(C)(C)C1=CC(=CC=C1)I PI-15641 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N PI-15625 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.155 CC(C)(C)C1=CC(=CC=C1)O PI-31950 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.155 Clc1nccc(c1)C(C)(C)C PI-38218 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.2815 Cc1cc(C)c(c(c1)C(C)(C)C)O PI-11753 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.3090 COc1ccc(O)cc1C(C)(C)C PI-36397 [0,1,0,0,0,0|0,0,0]=1 25 B10R1.28 CC(C)(C)c1ccncc1 PI-38985 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 PI-35345 [2,0,0,0,0,0|1,1,0]=4 31 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [2,0,0,0,0,0|1,1,0]=4 32 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [2,0,0,0,0,0|1,1,0]=4 33 B10R1.61 CC(C)c1ccccc1S PI-17353 [2,0,0,0,0,0|0,1,0]=3 34 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.61 CC(c1ccccc1Br)C PI-21543 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [2,0,0,0,0,0|1,1,0]=4 58 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [2,0,0,0,0,0|0,0,0]=2 62 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.23 C1=C(C(=CC(=C1)C(C)(C)C)Br)O PI-41749 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)N)Br PI-20590 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)N)N PI-22918 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)O)N PI-11786 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.102 CC(C)(C)C1=CC(=CC(=C1)Br)Br PI-43927 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.102 CC(C1=CC(Cl)=NC(Cl)=C1)(C)C PI-38196 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.436 CC(C)(C)C1=CC(=CC=C1)NN PI-29460 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.436 CCC1=CC(=CC=C1)C(C)(C)C PI-19132 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O PI-19061 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C PI-49847 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.354 C1=CC(=C(C=C1O)C(=O)CBr)O PI-31569 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.354 CCC(=O)c1cc(O)ccc1O PI-17243 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)O PI-13745 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [1,1,0,0,0,0|1,0,1]=4 81 B14R1.3720 COC1=CC=C(OC)C(C(C)(C)C)=C1 PI-40494 [0,2,0,0,0,0|0,0,0]=2 82 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [1,0,0,1,0,0|0,0,2]=4 83 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.4507 CC1=NC2=C(C1(C)C)C=C(C=C2)Cl PI-11097 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.4507 Cc1ccc2c(c1)C(C)(C)C(=N2)C PI-33326 [0,1,0,1,0,0|2,0,0]=4 86 B12R1.127 NC1=CC=C(F)C=C1OC(C)C PI-40835 [1,0,0,0,0,1|2,0,0]=4