0 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 OR350361 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 OR350337 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 OR322214 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 OR322610 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 CC(CCN)C1=CC=CC=C1 OR471278 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 CCCC(N)C1=NC=CC=C1 OR470276 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.16 CNCC(O)C1=CC=CC=C1 OR13980 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 OR316003 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.16 NCCC(O)C1=CC=CC=C1 OR302404 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.36 CC(C)C(N)C1=CC=CN=C1 OR470262 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.36 CC(C)C(N)C1=CC=NC=C1 OR470263 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.36 CN(N)C(=O)C1=CC=CC=C1 OR322621 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.36 C[C@H](C1=CC=CC=C1)N(C)C OR322173 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.36 OC(C1=CC=CC=C1)C(F)F PC51088 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.40 CC(C#N)NC1=CC=CC=C1 OR470798 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.40 NCC(O)CC1=CC=CC=C1 OR323295 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 OR5852 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.40 O[C@@H](CCl)CC1=CC=CC=C1 OR304091 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 OR304092 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.21 COC(=O)C(O)C1=CC=C(Br)C=C1 OR111453 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.21 COC(=O)C(O)C1=CC=C(Cl)C=C1 OR111455 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.21 COC(=O)C(O)C1=CC=C(F)C=C1 PC300964 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.47 CCOC(=O)[C@@H](O)C1=CC=CC=C1 OR350174 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 OR350172 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 OR310031 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.263 CC(C)(CO)[C@@H](N)C1=CC=CC=C1 OR303317 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.263 CC(C)(CO)[C@@H](O)C1=CC=CC=C1 OR310533 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.263 CC(C)(CO)[C@H](N)C1=CC=CC=C1 OR303314 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.45 CN[C@H]1CC2=C(C=CC=C2)[C@@H]1O OR307671 [0,0,0,1,0,0|0,0,0]=1 29 B13R2.3085 CC1=[N+](C)C2=CC=CC=C2N1C PC31742 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 OR471346 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.15 BrCC(Br)C1=CC=CC=C1 OR4708 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 OR470119 [2,0,0,0,0,0|0,0,2]=4 33 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 OR470118 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.15 FC(CBr)C1=CC=CC=C1 PC400563 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 CNCCC1=CN=CC=C1 OR12532 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.18 CC(C)CC1=CC=NC=C1 OR470882 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.18 CC(C)OC1=CC=CC=C1 OR25710 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.18 CC(C)OC1=CN=CC=C1 OR321022 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.18 CC(N)CC1=CC=CN=C1 OR322554 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 C[C@H](O)CC1=CC=CC=C1 OR304049 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.18 FC(F)CC1=CC=CC=C1 PC49564 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.18 NC(=S)CC1=CC=CC=C1 OR346049 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 PC48548 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 OR350192 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.39 CCCC(F)(F)C1=CC=CC=C1 PC49567 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 PC9071 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 PC48546 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 PC48547 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.124 CC(C)C(O)C1=CN=CC=C1Cl OR303897 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 OR315509 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.253 CC(C)C(F)(F)C1=CC=CC=C1 PC49565 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.253 CC(O)(C1=CC=CC=C1)C(F)F PC51087 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 OR300788 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 OR300801 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)Br PC450099 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F PC6224 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F PC0769 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F PC0788 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.118 N#CC(CO)CC1=CC=CC=C1 OR470632 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.5665 CC(C)(CO)[C@@H](O)C1=C(Cl)C=CC=C1 OR311294 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.5665 CC(C)(CO)[C@H](O)C1=C(Cl)C=CC=C1 OR311295 [0,2,0,0,0,0|2,0,0]=4 62 B12R2.116 CC1(C2=CC=CC=C2)COC1 OR309092 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.116 FC1(C2=CC=CC=C2)COC1 PC406007 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.116 NC1(C2=CC=CC=C2)CCC1 OR451172 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.116 OC1(C2=CC=CC=C2)CNC1 OR317221 [1,0,0,1,0,0|0,0,0]=2 66 B12R2.116 OC1(C2=CC=CC=C2)COC1 OR309070 [1,0,0,1,0,0|1,0,0]=3 67 B12R2.116 OC1(C2=CC=CC=C2)CSC1 OR312066 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.116 OC1(C2=CC=CN=C2)COC1 OR312033 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.1081 FC1CNCC2=C1C=CC=C2 PC8299 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.1081 OC1CCCC2=C1N=CC=C2 OR470051 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.2028 O[C@H]1C[C@@H](O)C2=CC=CC=C21 OR12575 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.2075 OC(C1=CC=CN=C1)C2CC2 OR470430 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br OR350053 [1,0,0,1,0,0|1,0,0]=3 74 B12R2.92 CC1(C)NC1C2=CC=CC=C2 OR340191 [1,0,0,1,0,0|1,0,0]=3 75 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 OR451142 [1,0,0,1,0,0|1,0,1]=4 76 B12R2.32 NNC1CC2=C(C=CC=C2)C1 OR5645 [1,0,0,1,0,0|1,0,0]=3 77 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 OR451029 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 OR315293 [0,1,0,1,0,0|0,0,1]=3 79 B14R2.6180 CC1(C)C(=O)C2=C(C=CC=C2)C1O OR471029 [0,1,0,1,0,0|2,0,0]=4