0 B10R1.15 BrCC(=O)C1=CC=CC=C1 ACS014488 [1,0,0,0,0,0|1,0,1]=3 1 B10R1.15 C(C)(CC)C1=CC=CC=C1 ACS016273 [1,0,0,0,0,0|0,0,3]=4 2 B10R1.15 C(C)[C@@H](C1=CC=CC=C1)N ACS010872 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.15 C(C1=CC=CC=C1)(=O)OC ACS012777 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.15 ClCC(=O)C1=CC=CC=C1 ACS010471 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.15 FCC(=O)C1=CC=CC=C1 ACF015840 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.15 ICC(=O)C1=CC=CC=C1 ACS015855 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.15 NCC(=O)C1=CC=CC=C1 ACS023930 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.1 N=1C=C(N2C1C=CC=C2)C=O ACS019223 [0,0,0,1,0,0|2,0,0]=3 9 B12R2.1 N=1C=C(N2C1C=NC=C2)C=O ACS017376 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.1 O1C=C(C2=C1C=CC=C2)C=O ACS020900 [0,0,0,1,0,0|1,0,0]=2 11 B12R2.1 S1C2=C(C(=C1)C=O)C=CC=C2 ACS020436 [0,0,0,1,0,0|1,0,0]=2 12 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO ACS011024 [0,0,0,1,0,0|1,0,2]=4 13 B12R2.2 C1(=CC=CC=C1)C2=CC=NN2 ACS019013 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.2 C1(=CC=CC=C1)C=2C=NNC2 ACS017266 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.2 C1(=CC=CC=C1)C=2NC=CC2 ACS020717 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.6 BrC(C)C1=CC=CC=C1 ACS013489 [2,0,0,0,0,0|1,0,1]=4 17 B9R1.6 C(C)(=O)C1=CC=CC=C1 ACS014482 [2,0,0,0,0,0|0,0,0]=2 18 B9R1.6 C(C)(=O)C1=CC=NC=C1 ACS015121 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.6 C(C)(=O)C=1C=NC=CC1 ACS015120 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.6 C(C1=CC=CC=C1)(=O)Br ACS013424 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.6 C(C1=CC=CC=C1)(=O)Cl ACS013369 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.6 C(C1=CC=CC=C1)(=O)O ACS013070 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.6 C(C1=CC=CC=C1)(N)=S ACS011899 [2,0,0,0,0,0|1,1,0]=4 24 B9R1.6 C1(=CC=CC=C1)C(C)N ACS024407 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.6 CC(=O)c1ncccn1 ACS023767 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 CN(C1=CC=CC=C1)C ACS013954 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.6 C[C@@H](c1ccccc1)N ACS010886 [2,0,0,0,0,0|1,0,1]=4 28 B9R1.6 C[C@@H](c1ccccc1)O ACS010971 [2,0,0,0,0,0|0,0,2]=4 29 B9R1.6 C[C@H](c1ccccc1)N ACS010885 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.6 N1=C(C=CC=C1)C(=O)O ACS015244 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.6 N1=CC(=CC=C1)C(=O)O ACS015245 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.6 N1=CN=C(C=C1)C(C)=O ACS019012 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.6 [N+](=O)([O-])C1=CC=CC=C1 ACS015105 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 C(=O)NC1=CC=CC=C1 ACS013972 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 C(=O)OC1=CC=CC=C1 ACS012899 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 C(C)NC1=CC=CC=C1 ACS013960 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.8 C1(=CC=CC=C1)N=C=O ACS014106 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.8 CNCC1=CC=CC=C1 ACS010845 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.8 CNCC1=CC=CC=C1 ACS012120 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.16 C(C1=CC=CC=C1)(=O)N=C=S ACS014136 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.16 C(C1=CC=CC=C1)(=O)OCC ACS012711 [1,1,0,0,0,0|0,0,1]=3 42 B11R1.16 C(C1=CN=CC=C1)(=O)OCC ACS011462 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=O ACS011108 [1,1,0,0,0,0|0,0,2]=4 44 B11R1.16 ClCCC(=O)C1=CC=CC=C1 ACS014605 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.16 N1=CC(=CC=C1)C(CCC)=O ACS020723 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.16 N1=CC=C(C=C1)C(=O)OCC ACS015215 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.22 BrC1=CC=C(C(=O)OC)C=C1 ACS010562 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.22 BrCC(=O)C1=CC=C(C=C1)Cl ACS015796 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 BrCC(=O)C1=CC=C(C=C1)F ACF012532 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.22 CC1=CC=C(C(=O)OC)C=C1 ACS012872 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.22 COC(=O)C1=NC=C(C=C1)Br ACS011367 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.22 COC(C1=CN=C(C=C1)N)=O ACS010336 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.22 ClC1=CC=C(C(=O)NN)C=C1 ACS010514 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.22 ClC1=CC=C(C=C1)C(C=O)=O ACS024471 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.22 ClCC(=O)C1=CC=C(C=C1)F ACF014518 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.22 FC1=CC=C(C(=O)NN)C=C1 ACF014065 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.22 FC1=CC=C(C(=O)OC)C=C1 ACF012848 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.22 FC1=CC=C(C=C1)C(C=O)=O ACF014315 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.22 FC=1C=CC(=NC1)C(=O)OC ACF021752 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.22 IC1=CC=C(C(=O)NN)C=C1 ACS014066 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.22 NC1=CC=C(C(=O)OC)C=C1 ACS012750 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.22 NC1=CC=C(C=C1)C(CBr)=O ACS015783 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.22 OC1=CC=C(C(=O)OC)C=C1 ACS012858 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.22 c1cc(ccc1C(=O)CCl)Br ACS015797 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.23 BrC1=CC=CC(=N1)C(=O)OC ACS011052 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.23 BrC=1C=C(C(=O)OC)C=CC1 ACS012778 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.23 BrC=1C=C(C=CC1)C(CC)=O ACS014604 [1,1,0,0,0,0|0,0,1]=3 68 B11R1.23 BrCC(=O)C1=CC(=CC=C1)Br ACS014535 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.23 CC1=CC=CC(=N1)C(=O)OC ACS011988 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.23 CC=1C=C(C(=O)OC)C=CC1 ACS012871 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.23 CNC(=O)C1=NC=CC(=C1)Cl ACS011666 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.23 ClC1=CC(=NC=C1)C(=O)OC ACS011247 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.23 ClC1=CC=CC(=N1)C(=O)OC ACS011580 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.23 ClC=1C=C(C(=O)NN)C=CC1 ACS014064 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.23 ClC=1C=C(C(=O)OO)C=CC1 ACS011392 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.23 ClC=1C=C(C=CC1)C(CC)=O ACS014606 [1,1,0,0,0,0|0,0,1]=3 77 B11R1.23 ClCC(=O)C1=CC(=CC=C1)Cl ACS010480 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.23 FC1=CC(=NC=C1)C(=O)OC ACF021754 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.23 FC1=CC=CC(=N1)C(=O)OC ACF021751 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.23 FC1=NC=CC(=C1)C(=O)OC ACF021154 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.23 FC=1C=C(C(=O)OC)C=CC1 ACF012847 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.23 FC=1C=C(C=CC1)C(CC)=O ACF014611 [1,1,0,0,0,0|0,0,1]=3 83 B11R1.23 FC=1C=C(C=NC1)C(=O)OC ACF023352 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.23 IC=1C=C(C(=O)OC)C=CC1 ACS016569 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.23 NC=1C=C(C(=O)OC)C=CC1 ACS012749 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.23 NC=1C=C(C(=O)OC)C=CN1 ACS019278 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.23 NC=1C=C(C(=O)OC)C=CN1 ACS019279 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.23 NC=1C=C(C=CC1)C(CC)=O ACS015870 [1,1,0,0,0,0|0,0,1]=3 89 B11R1.36 BrC(C(=O)C1=CC=CC=C1)C ACS020696 [1,1,0,0,0,0|0,0,1]=3 90 B11R1.36 OC(C(=O)O)C1=CC=CC=C1 ACS012974 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.222 BrC1=C(C(=O)OC)C=CC=C1 ACS010561 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.222 BrC=1C(=NC=CC1)C(=O)OC ACS015223 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.222 BrC=1C=NC=CC1C(=O)OC ACS015224 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.222 BrCC(=O)C1=C(C=CC=C1)F ACF012600 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.222 BrCC(=O)C1=C(C=CC=C1)O ACS014507 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.222 C(C=1C(O)=CC=CC1)(=O)NN ACS024412 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.222 CNC(C1=C(C=CC=C1)S)=O ACS023684 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.222 COC(C1=C(C=CC=C1)S)=O ACS012868 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.222 ClC1=C(C(=O)OC)C=CC=C1 ACS012809 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.222 ClC1=NC=CC=C1C(=O)OC ACS015226 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.222 FC1=C(C(=O)OC)C=CC=C1 ACF012846 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.222 FC=1C(=NC=CC1)C(=O)OC ACF021753 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.222 FC=1C=NC=CC1C(=O)OC ACF021456 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.222 NC1=C(C(=O)OC)C=CC=C1 ACS012748 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.222 NC1=C(C(=O)OC)C=CC=N1 ACS011796 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.265 COC1=C(C=O)C(=CC=C1)C ACS014288 [0,0,1,1,0,0|1,0,1]=4 107 B11R1.267 BrC1=C(C=CC=C1C=O)C=O ACS014313 [0,0,1,1,0,0|2,0,0]=4 108 B11R2.1 BrC1=COC2=C1C=CC=C2 ACS017484 [1,0,0,1,0,0|1,0,1]=4 109 B11R2.1 C1(NCC2=CC=CC=C12)=O ACS017554 [1,0,0,1,0,0|1,0,0]=3 110 B11R2.1 C1(OCC2=C1C=CC=C2)=O ACS015427 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.1 CC1=CNC2=C1C=NC=C2 ACS020821 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.1 CC1=NNC2=CC=CC=C12 ACS017504 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.1 N1NC(C2=CC=CC=C12)=O ACS017555 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.57 N1=CC=CC2=CC(=CC=C12)C=O ACS011306 [0,0,0,1,0,1|1,0,1]=4 115 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCO ACS023705 [0,1,0,1,0,0|1,0,1]=4 116 B13R2.3 C1(=CC=CC=C1)C2=NC=CC=C2 ACS011550 [0,1,0,1,0,0|1,0,1]=4 117 B13R2.10 C1(=CC=CC=C1)C=2N=C(OC2)N ACS012178 [0,1,0,1,0,0|1,0,1]=4 118 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 ACS017265 [0,1,0,1,0,0|1,0,0]=3 119 B13R2.1613 C1=NC=C(C2=CC=CC=C12)C=O ACS019113 [0,1,0,1,0,0|0,0,1]=3 120 B13R2.1613 CCc1cccc2c1cccc2 ACS015467 [0,1,0,1,0,0|1,0,1]=4 121 B13R2.1613 N1=CC=C(C2=CC=CC=C12)C=O ACS017358 [0,1,0,1,0,0|0,0,1]=3 122 B13R2.1613 N1=CC=CC2=CC=CC(=C12)C=O ACS023735 [0,1,0,1,0,0|1,0,1]=4 123 B13R2.662 ClC1=CC=C2C(=CNC2=C1)C=O ACS011065 [0,1,0,1,0,0|1,0,0]=3 124 B13R2.662 FC1=CC=C2C(=N1)NC=C2C=O ACF021940 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.2136 BrC=1C=CC2=C(C(=CO2)C=O)C1 ACS019173 [0,1,0,1,0,0|1,0,0]=3 126 B13R2.2136 CC=1C=C2C(=CNC2=CC1)C=O ACS023882 [0,1,0,1,0,0|1,0,0]=3 127 B13R2.2136 FC=1C=C2C(=CNC2=CC1)C=O ACF022069 [0,1,0,1,0,0|1,0,0]=3 128 B13R2.2136 FC=1C=C2C(=NC1)NC=C2C=O ACF021948 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.135 BrC1=C(C2=C(S1)C=CC=C2)C=O ACS020437 [0,1,0,1,0,0|1,0,0]=3 130 B13R2.135 CC=1N=C2N(C=CC=C2)C1C=O ACS017373 [0,1,0,1,0,0|1,0,0]=3 131 B13R2.2091 FC1=C2C(=CNC2=CC=C1)C=O ACF022075 [0,1,0,1,0,0|1,0,0]=3 132 B13R2.72 N1C=C(C2=CC=CC=C12)C(=O)O ACS016918 [0,1,0,1,0,0|1,0,0]=3 133 B13R2.72 N1N=C(C2=CC=CC=C12)C(C)=O ACS020943 [0,1,0,1,0,0|2,0,0]=4 134 B13R2.439 C1(=CC=CC=C1)C2(CC2)C(=O)O ACS011706 [0,1,0,1,0,0|0,0,2]=4 135 B9R1.11 O1C(=CC=C1)C(=O)OC ACS015369 [1,0,0,0,1,0|2,0,0]=4 136 B11R1.40 C1(=CC=CC=C1)CC(CC)=O ACS014616 [1,0,0,0,0,1|0,0,1]=3 137 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [1,0,0,0,0,1|1,0,0]=3