0 B11R1.53 BrCC1=C(C(=O)O)C=CC=C1 ACS013105 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 C(#N)C1=C(C(=O)O)C=CC=N1 ACS020130 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.53 CCc1ccccc1[N+](=O)[O-] ACS012491 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 ACS013411 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.53 COC1=C(C=CC=C1)C(C)=O ACS014580 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.53 COC1=C(C=NC=C1)C(C)=O ACS019395 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.53 COC1=NC=CC=C1C(C)=O ACS017299 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.53 COC=1C(=NC=CN1)C(=O)O ACS017408 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.20 C(=O)C1=C(C#N)C=CC=N1 ACS019454 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.20 C(=O)C=1C(=NC=CC1)C#N ACS019567 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.20 C(C)C1=C(C=O)C=CC=C1 ACS010442 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.61 BrC1=C(C=CC=C1)C(C)=O ACS015795 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.61 BrC1=NC=CC=C1C(=O)O ACS010747 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.61 BrC=1C(=NC=CC1)C(=O)O ACS015157 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.61 BrC=1C(=NC=CN1)C(=O)O ACS017607 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.61 C(C)(=O)C=1C(NC=CC1)=O ACS020685 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.61 C=1(C(=CC=CC1)C(=O)O)C ACS011698 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.61 CC1=C(C(=O)O)C=CC=N1 ACS010343 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.61 ClC1=C(C=CC=C1)C(C)=O ACS014514 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.61 ClC1=NC=CC=C1C(=O)O ACS015174 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.61 ClC1=NC=CC=C1C(C)=O ACS011631 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.61 ClC=1C(=NC=CC1)C(C)=O ACS020326 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.61 FC1=C(C=CC=C1)C(C)=O ACF014555 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.61 FC=1C(=NC=CC1)C(=O)O ACF010756 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.61 FC=1C(=NC=CC1)C(C)=O ACF021098 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.61 FC=1C(=NC=CN1)C(=O)O ACF023345 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.61 IC1=C(C(=O)O)C=CC=N1 ACS020167 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.61 NC1=C(C(=O)O)C=CC=N1 ACS010065 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.61 NC=1C(=NC=CC1)C(=O)O ACS010257 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.61 NC=1C(=NC=CN1)C(=O)O ACS015308 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.61 NC=1C(=NC=CN1)C(C)=O ACS019539 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.61 OC1=C(C(=O)O)C=CC=N1 ACS010374 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.61 OC1=C(C=CC=C1)C(C)=O ACS014575 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.61 OC=1C(=NC=CN1)C(=O)O ACS011175 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.46 CC(=O)c1cc(ccc1OC)Br ACS015808 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.46 ClC=1C=CC(=C(C1)C(C)=O)OC ACS019388 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.46 FC=1C=C(C(=NC1)OC)C(=O)O ACF023234 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.46 FC=1C=CC(=C(C1)C(C)=O)OC ACF014566 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.57 CC(=O)c1ccc(cc1OC)Br ACS015807 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.57 ClC1=NC(=C(C(=O)O)C=C1)OC ACS017701 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.57 FC1=CC(=C(C=C1)C(C)=O)OC ACF014565 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.57 FC1=NC(=C(C(=O)O)C=C1)OC ACF017421 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.77 BrCC(=O)C1=C(C=CC=C1)OC ACS014509 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.77 BrCC1=C(C(=O)OC)C=CC=C1 ACS012797 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.87 BrC=1C(=C(C=CC1)C(C)=O)OC ACS019389 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.87 OC=1C(=C(C=CC1)C(C)=O)OC ACS020173 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.261 C(C)(C)C1=C(C(=O)O)C=CC=C1 ACS016576 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.261 N1=C(C(=NC=C1)C(=O)O)C(=O)O ACS011158 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.261 [N+](=O)([O-])C=1C(=NC=CC1)C(C)=O ACS020954 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.283 C(C)OC=1C(=NC=CC1)C(=O)O ACS015210 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.437 BrC1=C(C(=CC=C1)OC)C(C)=O ACS019391 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.437 COC1=C(C(=CC=C1)C)C(C)=O ACS020033 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.437 ClC1=C(C(=CC=C1)OC)C(C)=O ACS015523 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.437 FC1=C(C(=CC=C1)OC)C(C)=O ACF014563 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.437 OC1=C(C(=CC=C1)OC)C(C)=O ACS012562 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.1081 C1(CCCC2=CC=CC=C12)=O ACS011590 [0,0,0,1,0,0|2,0,0]=3 56 B12R2.1081 C1(OCCC2=CC=CC=C12)=O ACS018859 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.1081 C1OCC(C2=C1C=CC=C2)=O ACS015455 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.1081 N1=CC=CC=2C(CCCC12)=O ACS024496 [0,0,0,1,0,0|1,0,0]=2 59 B12R2.1081 N1=CC=CC=2CCCC(C12)N ACS017337 [0,0,0,1,0,0|2,0,1]=4 60 B12R2.1081 N1CCC(C2=CC=CC=C12)=O ACS017544 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.1081 O1CCC(C2=CC=CC=C12)=O ACS015447 [0,0,0,1,0,0|3,0,0]=4 62 B12R2.2028 N1=C2C(=NC=C1)C(=O)OC2=O ACS011863 [0,0,0,1,0,0|2,0,1]=4 63 B12R1.75 C(C)(=O)OC1=C(C=CC=C1)OC ACS012520 [0,0,0,0,0,1|3,0,0]=4 64 B12R1.75 COC1=C(C=CC=C1)OC(C)=O ACS012684 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.15 BrC=1C(=NC=CC1)C=O ACS019484 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 BrC=1C(=NC=CC1)CC ACS017418 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 COC=1C(=NC=CN1)N ACS017404 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 ClC1=NC=CC=C1C=O ACS010750 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 FC1=NC=CC=C1C=O ACF023253 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 FC=1C(=NC=CC1)C=O ACF018993 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 FC=1C(=NC=CN1)C=O ACF021034 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.15 OC1=C(C=O)C=CC=N1 ACS024106 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 OC=1C(=NC=CC1)C=O ACS020142 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 C(C)(=O)C1=CC=CC=C1 ACS014482 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.6 C(C)(=O)C=1C=NC=CC1 ACS015120 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 CC(=O)c1ncccn1 ACS023767 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 N1=C(C=CC=C1)C(=O)O ACS015244 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.6 N1=CC(=CC=C1)C(=O)O ACS015245 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.6 N1=CN=C(C=C1)C(C)=O ACS019012 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.37 BrC=1C=CC(=C(C=O)C1)CC ACS020569 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.37 BrC=1C=NC(=C(C=O)C1)OC ACS018898 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.37 C(C)C1=C(C=O)C=CC(=C1)O ACS017573 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.37 FC=1C=C(C(=NC1)OC)C=O ACF023233 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.265 BrC1=CC=NC(=C1C=O)OC ACS017419 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.265 IC1=CC=NC(=C1C=O)OC ACS017284 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.156 Cc1cccc(c1C(=O)C)C ACS015838 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.159 CC1=C(C=CC=C1C)C(C)=O ACS014550 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.159 ClC1=C(C(=NC=C1)C(=O)O)C ACS019428 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.166 ClC1=NC(=C(C(=O)O)C=C1)C ACS019455 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.166 ClC1=NC(=CC=C1C(C)=O)Cl ACS024023 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.166 ClC=1C(=NC=C(N1)Cl)C(=O)O ACS018876 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.166 FC1=CC(=C(C=C1)C(C)=O)C ACF014568 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.167 BrC=1C(=NC(=CN1)Br)C(=O)O ACS017612 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.167 BrC=1C=C(C(=NC1)F)C(C)=O ACF021434 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.167 FC=1C=CC(=C(C1)C(C)=O)C ACF014569 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.167 NC=1C(=NC(=CN1)Br)C(=O)O ACS023996 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.167 NC=1C(=NC(=CN1)Cl)C(=O)O ACS024107 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.222 BrC=1C(=NC=CC1)C(=O)OC ACS015223 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.222 BrC=1C(=NC=CN1)C(=O)OC ACS018716 [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 FC=1C(=NC=CC1)C(=O)OC ACF021753 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.222 NC1=C(C(=O)OC)C=CC=N1 ACS011796 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.141 ClC=1C=C(C(=NC1)OCC)C(=O)O ACS015168 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.2065 BrC1=NC(=C(C(=O)OC)C=C1)OC ACS020846 [0,2,0,0,0,0|2,0,0]=4 105 B11R2.1 CC1=NNC2=NC=CN=C21 ACS018985 [1,0,0,1,0,0|2,0,0]=4 106 B11R2.1 O1CC(C=2C1=NC=CC2)=O ACS017716 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.20 N1=CC=CC=2CCCCC12 ACS010857 [1,0,0,1,0,0|1,0,1]=4 108 B11R2.106 N1=CC=C2N1CCCC2=O ACS020674 [0,0,0,1,1,0|1,0,0]=3 109 B13R2.162 BrC=1C=C2C(=NC1)OCCC2=O ACS018942 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.162 CC1=CC=C2CCCC(C2=C1)=O ACS017335 [0,1,0,1,0,0|2,0,0]=4 111 B13R2.162 ClC1=CC=C2CCCC(C2=C1)=O ACS017332 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.162 FC1=CC=C2CCCC(C2=C1)=O ACF020928 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.162 IC1=CC=C2CCCC(C2=C1)=O ACS018810 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.162 NC1=CC=C2CCCC(C2=C1)=O ACS017503 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.162 OC1=CC=C2CCCC(C2=C1)=O ACS017336 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.5179 BrC=1C=C2CCCC(C2=CC1)=O ACS017551 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.5179 NC=1C=C2CCCC(C2=CC1)=O ACS017502 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.5179 OC=1C=C2CCCC(C2=CC1)=O ACS015476 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.371 N1=CC=CC=2C(CCC(C12)=O)=O ACS015459 [0,1,0,1,0,0|1,0,1]=4 120 B13R2.5252 N1CCCC(C2=C1C=CC=C2)=O ACS011842 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.5252 c1ccc2c(c1)CCCCC2=O ACS011591 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.342 CC1=C2CCCC(C2=CC=C1)=O ACS017334 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.342 OC1=C2CCCC(C2=CC=C1)=O ACS015478 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.14 COC1=C(OC=C1)C=O ACS024523 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.41 CC1=C(SC=C1)C(=O)O ACS010762 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.41 CC=1C(=CNC1)C(C)=O ACS019326 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.41 CC=1N=CSC1C(C)=O ACS018763 [1,0,0,0,1,0|1,0,0]=3 128 B9R1.41 CN1N=CC=C1C(=O)O ACS011751 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.41 IC1=C(SC=C1)C(C)=O ACS020424 [1,0,0,0,1,0|2,0,0]=4