0 B11R1.40 C1(=CC=CC=C1)CC(CC)=O ACS014616 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 BrCCOC1=CC=CC=C1 ACS010459 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.17 ClCCOC1=CC=CC=C1 ACS014772 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.17 O(C1=CC=CC=C1)CCO ACS015601 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 BrC(CC1=CC=CC=C1)C ACS015572 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.18 C(C)(C)OC1=CC=CC=C1 ACS014743 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.18 FC(OC1=CC=CC=C1)F ACF014775 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.34 BrC(C(=O)C1=CC=CC=C1)CC ACS023937 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.34 COC(=O)[C@@H](c1ccccc1)O ACS011328 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.34 NC(C(=O)OC)C1=CC=CC=C1 ACS015593 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.34 c1ccc(cc1)[C@H]([C@H](CO)N)O ACS010927 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 C1(=CC=CC=C1)NC(C(=O)O)C ACS011814 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.43 NC(CC1=CC=CC=C1)B(O)O ACS019379 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O ACS019412 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O ACS019413 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC ACS012875 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.49 ClC1=CC=C(C=C1)CC(=O)OC ACS012822 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.49 OC1=CC=C(C=C1)CC(=O)OC ACS016992 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.50 BrC=1C=C(C=CC1)CC(=O)OC ACS012805 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.50 COC(CC1=CC(=CC=C1)N)=O ACS016955 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.50 Cc1cccc(c1)CC(=O)OC ACS016999 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.50 FC=1C=C(C=CC1)CC(=O)OC ACF016984 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.50 IC=1C=C(C=CC1)CC(=O)OC ACS012866 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.50 NC=1C=C(C=CC1)CC(=O)OC ACS012773 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.18 N[C@H]1[C@H](CC2=CC=CC=C12)O ACS010828 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.24 C1N(CCC2=CC=CC=C12)N ACS019121 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.15 C(C)(CC)C1=CC=CC=C1 ACS016273 [0,0,0,0,1,0|1,0,0]=2 29 B10R1.15 C(C)[C@@H](C1=CC=CC=C1)N ACS010872 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.15 C(C1=CC=CC=C1)(=O)OC ACS012777 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.15 C1(=CC=CC=C1)C(C#C)O ACS023904 [0,0,0,0,1,0|2,0,1]=4 32 B9R1.8 BrCCC1=CC=CC=C1 ACS013490 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.8 C(C)NC1=CC=CC=C1 ACS013960 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 C(C)OC1=NC=CC=C1 ACS010026 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 C(C1=CC=CC=C1)ON ACS011006 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 C(CC1=CC=CC=C1)N ACS014044 [2,0,0,0,0,0|0,0,0]=2 37 B9R1.8 C1(=CC=CC=C1)CC#N ACS011959 [2,0,0,0,0,0|0,0,2]=4 38 B9R1.8 C1(=CC=CC=C1)CCO ACS013753 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 CNCC1=CC=CC=C1 ACS010845 [2,0,0,0,0,0|0,0,0]=2 40 B9R1.8 CNCC1=CC=CC=C1 ACS012120 [2,0,0,0,0,0|0,0,0]=2 41 B9R1.8 FCCC1=CC=CC=C1 ACF015043 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.8 NCCC=1C=NC=CC1 ACS015130 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 OCCC=1C=NC=CC1 ACS023955 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 c1ccnc(c1)CCN ACS015129 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.1 BrC1=CC=C(C=C1)CCC#N ACS023956 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.1 NC1=CC=C(CCNC)C=C1 ACS014035 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.16 c1ccc(cc1)C(CCCl)O ACS010829 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.17 C(CC)OC1=C(C=CC=C1)O ACS011557 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.28 BrCCOCC1=CC=CC=C1 ACS014787 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.28 C(C1=CC=CC=C1)NCC#N ACS019120 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.28 C(C1=CC=CC=C1)OCCO ACS010246 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.28 C(CCCC)C1=CC=CC=C1 ACS011797 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.28 C1(=CC=CC=C1)CCCCO ACS010447 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.91 [N+](=O)([O-])CCC1=CC=CC=C1 ACS012492 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.20 BrC1=CC=C(NC(C)C)C=C1 ACS020780 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.20 BrC1=NC=C(C=C1)OC(C)C ACS020817 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.20 C(C)(C)OC1=CC=C(C=C1)O ACS020473 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.20 C(C)(C)OC1=CC=C(N)C=C1 ACS013976 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.20 CC(C)Cc1ccc(cc1)Br ACS016336 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.20 FC1=CC=C(C=C1)CC(N)=N ACF022183 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.20 FC1=CC=C(NC(C)C)C=C1 ACF012346 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.36 BrC(C(=O)C1=CC=CC=C1)C ACS020696 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.86 FC1=C(C=CC=C1)CC(N)=N ACF022179 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.157 BrC1=CC(=CC=C1)CC(C)C ACS020266 [1,1,0,0,0,0|0,0,0]=2 65 B11R1.157 BrC=1C=C(C=CC1)CC(C)=O ACS014617 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.157 FC=1C=C(C=CC1)CC(N)=N ACF022181 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.509 C(C1=CC=CC=C1)[N+](C)(C)C ACS011079 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.22 C(C)(CC)C1=CC=C(N)C=C1 ACS016009 [0,1,0,0,1,0|1,0,0]=3 69 B11R1.222 CNC(C1=C(C=CC=C1)S)=O ACS023684 [0,1,0,0,1,0|1,0,1]=4 70 B13R1.145 C(C)N(CC)CC1=CC=C(N)C=C1 ACS020114 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.249 NC1=CC=C(C=C1)CS(=O)(=O)NC ACS010430 [0,2,0,0,0,0|2,0,0]=4 72 B11R2.20 N1=CC=CC=2CCCCC12 ACS010857 [1,0,0,1,0,0|2,0,0]=4 73 B11R2.20 N1=CN=CC2=C1CCNC2 ACS018744 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.20 N1=CN=CC2=C1CNCC2 ACS020069 [1,0,0,1,0,0|2,0,0]=4 75 B11R2.238 C1(=CC=CC=C1)SC2CC2 ACS011377 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.10 C1C(CC2=CC=CC=C12)=O ACS015485 [1,0,0,1,0,0|1,0,1]=4 77 B11R2.10 C1N(CC2=CC=CC=C12)N ACS019146 [1,0,0,1,0,0|1,0,0]=3 78 B11R2.10 CC=1CC2=CC=CC=C2C1 ACS010787 [1,0,0,1,0,0|0,0,2]=4 79 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [1,0,0,1,0,0|0,0,2]=4 80 B11R2.10 ON1CC2=CC=CC=C2C1 ACS015477 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.10 c1ccc2c(c1)CC(C2)N ACS015406 [1,0,0,1,0,0|0,0,0]=2 82 B11R2.40 C1(=CC=CC=C1)C2(CC2)N ACS020127 [0,0,0,1,1,0|2,0,0]=4 83 B13R2.435 C(C)(=O)C1CC2=CC=CC=C2C1 ACS015403 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.6 BrC(C)C1=CC=CC=C1 ACS013489 [1,0,0,0,1,0|1,0,0]=3 85 B9R1.6 C(C)(=O)C1=CC=CC=C1 ACS014482 [1,0,0,0,1,0|1,0,1]=4 86 B9R1.6 C(C1=CC=CC=C1)(Cl)Cl ACS013523 [1,0,0,0,1,0|2,0,0]=4 87 B9R1.6 C(C1=CC=CC=C1)(N)=S ACS011899 [1,0,0,0,1,0|1,0,1]=4 88 B9R1.6 C1(=CC=CC=C1)C(C)N ACS024407 [1,0,0,0,1,0|0,0,0]=2 89 B9R1.6 CN(C1=CC=CC=C1)C ACS013954 [1,0,0,0,1,0|1,0,0]=3 90 B9R1.6 CN(C1=CC=NC=C1)C ACS015200 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.6 C[C@@H](c1ccccc1)N ACS010886 [1,0,0,0,1,0|0,0,0]=2 92 B9R1.6 C[C@@H](c1ccccc1)O ACS010971 [1,0,0,0,1,0|1,0,0]=3 93 B9R1.6 C[C@H](c1ccccc1)N ACS010885 [1,0,0,0,1,0|0,0,0]=2 94 B9R1.6 FC(F)C1=CC=CC=C1 ACF014847 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.6 N1=C(C=CC=C1)[C@@H](C)O ACS010823 [1,0,0,0,1,0|2,0,0]=4